#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk8 s SER 2 N 0.00 4.19 -0.41 1.61 0.01 -1.26 -5.05 113.70 112.80 2dk8 s SER 2 Ca 0.00 -0.25 -0.44 0.00 1.31 0.00 0.00 55.95 56.57 2dk8 s SER 2 Cb 0.00 -0.86 -0.18 0.00 0.21 0.00 0.00 66.02 65.19 2dk8 s SER 2 CO 0.00 0.29 1.67 -1.54 0.41 0.00 0.00 173.24 174.07 2dk8 n SER 3 N 1.76 1.73 -3.67 2.44 3.41 -1.26 -4.90 113.62 113.14 2dk8 n SER 3 Ca -0.16 1.14 -0.09 0.00 -0.26 0.00 0.00 58.87 59.49 2dk8 n SER 3 Cb 0.52 -0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 63.46 2dk8 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dk8 s GLY 4 N 3.27 -0.31 -0.30 5.00 0.00 -1.26 -5.16 107.32 108.56 2dk8 s GLY 4 Ca 1.02 0.03 -0.10 0.00 0.00 0.00 0.00 44.72 45.67 2dk8 s GLY 4 CO 0.75 -0.01 0.65 -0.56 0.00 0.00 0.00 173.10 173.94 2dk8 s SER 5 N -2.85 -1.14 -0.47 1.64 0.01 -1.26 -5.10 113.70 104.54 2dk8 s SER 5 Ca 0.07 1.57 0.04 0.00 1.31 0.00 0.00 55.95 58.94 2dk8 s SER 5 Cb -0.03 2.28 0.17 0.00 0.21 0.00 0.00 66.02 68.65 2dk8 s SER 5 CO -0.02 -0.22 0.38 -1.54 0.41 0.00 0.00 173.24 172.25 2dk8 n SER 6 N 5.41 0.25 0.00 2.44 3.41 -1.26 -4.93 113.62 118.94 2dk8 n SER 6 Ca -0.12 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 2dk8 n SER 6 Cb 0.49 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2dk8 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk8 n GLY 7 N 2.59 -1.02 0.11 5.00 0.00 -1.26 -4.44 105.19 106.18 2dk8 n GLY 7 Ca 0.28 0.41 -0.15 0.00 0.00 0.00 0.00 46.02 46.56 2dk8 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk8 h PRO 8 N 0.00 0.25 -0.56 1.61 0.13 -1.91 -3.46 132.00 128.06 2dk8 h PRO 8 Ca 0.00 -0.25 0.20 0.00 -0.87 0.00 0.00 66.00 65.08 2dk8 h PRO 8 Cb 0.00 0.06 -0.21 0.00 0.13 0.00 0.00 31.00 30.98 2dk8 h PRO 8 CO 0.00 0.94 0.07 -0.51 -0.23 0.00 0.00 178.00 178.27 2dk8 s ASP 9 N -6.39 -0.66 -0.25 1.44 1.01 -1.26 -5.13 116.67 105.43 2dk8 s ASP 9 Ca -0.15 0.48 -0.01 0.00 0.71 0.00 0.00 52.55 53.58 2dk8 s ASP 9 Cb 0.02 1.58 0.08 0.00 1.01 0.00 0.00 42.92 45.60 2dk8 s ASP 9 CO 0.76 -0.12 0.04 0.00 0.21 0.00 0.00 175.17 176.06 2dk8 s ALA 10 N 2.86 1.51 0.50 5.23 0.00 -1.26 -5.11 121.76 125.49 2dk8 s ALA 10 Ca 0.03 -1.29 -0.18 0.00 0.00 0.00 0.00 51.96 50.53 2dk8 s ALA 10 Cb -0.11 -1.43 -0.15 0.00 0.00 0.00 0.00 23.12 21.43 2dk8 s ALA 10 CO -0.14 -1.38 -0.14 -0.40 0.00 0.00 0.00 175.76 173.70 2dk8 n ASP 11 N 4.85 -3.64 0.09 0.00 5.68 -1.26 -4.81 116.55 117.46 2dk8 n ASP 11 Ca -0.07 0.63 -0.05 0.00 -0.50 0.00 0.00 54.79 54.80 2dk8 n ASP 11 Cb 0.44 -0.83 -0.02 0.00 -1.14 0.00 0.00 41.12 39.57 2dk8 n ASP 11 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2dk8 h PRO 12 N -0.03 -0.32 -0.96 0.11 0.13 -1.99 -2.92 132.00 126.01 2dk8 h PRO 12 Ca -0.40 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.91 2dk8 h PRO 12 Cb 1.41 0.07 -0.16 0.00 0.13 0.00 0.00 31.00 32.45 2dk8 h PRO 12 CO 0.40 -0.21 -0.34 1.55 -0.23 0.00 0.00 178.00 179.17 2dk8 n VAL 13 N -4.91 -0.48 0.12 1.56 3.14 -1.26 0.06 118.33 116.56 2dk8 n VAL 13 Ca -0.04 2.25 -0.15 0.00 -2.96 0.00 0.00 64.34 63.43 2dk8 n VAL 13 Cb 0.13 -3.00 -0.09 0.00 -1.06 0.00 0.00 33.84 29.82 2dk8 n VAL 13 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2dk8 h GLU 14 N 0.00 -0.69 -0.65 1.45 4.39 -1.94 0.52 114.58 117.66 2dk8 h GLU 14 Ca 0.37 0.05 0.14 0.00 0.34 0.00 0.00 59.36 60.26 2dk8 h GLU 14 Cb 0.61 0.16 -0.11 0.00 -0.10 0.00 0.00 28.75 29.30 2dk8 h GLU 14 CO -0.97 -0.46 -0.03 0.82 -1.16 0.00 0.00 179.01 177.21 2dk8 h ILE 15 N -0.72 0.43 0.69 3.13 2.04 -0.16 -0.72 117.51 122.19 2dk8 h ILE 15 Ca 0.01 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2dk8 h ILE 15 Cb 0.73 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2dk8 h ILE 15 CO -0.26 0.02 -0.45 -0.33 0.00 0.00 0.00 178.15 177.13 2dk8 h GLU 16 N 0.09 -1.04 -0.99 2.37 5.08 0.57 -2.45 114.58 118.21 2dk8 h GLU 16 Ca 0.34 0.07 0.24 0.00 -1.00 0.00 0.00 59.36 59.01 2dk8 h GLU 16 Cb 0.56 0.24 -0.19 0.00 0.50 0.00 0.00 28.75 29.86 2dk8 h GLU 16 CO -0.59 -0.69 -0.08 -0.91 -1.00 0.00 0.00 179.01 175.74 2dk8 h ASN 17 N -1.08 -0.66 -0.74 1.42 2.35 0.11 1.45 115.58 118.43 2dk8 h ASN 17 Ca -0.09 0.29 0.16 0.00 -0.55 0.00 0.00 56.30 56.11 2dk8 h ASN 17 Cb 0.88 0.54 -0.11 0.00 0.05 0.00 0.00 38.32 39.67 2dk8 h ASN 17 CO 0.08 -0.35 0.15 0.03 -1.65 0.00 0.00 177.43 175.69 2dk8 h ARG 18 N 0.00 0.23 -0.88 0.81 2.47 -0.69 0.49 114.38 116.80 2dk8 h ARG 18 Ca 0.55 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 59.23 2dk8 h ARG 18 Cb 1.03 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.26 2dk8 h ARG 18 CO -0.96 0.15 0.46 0.82 0.56 0.00 0.00 179.97 180.99 2dk8 h ILE 19 N 0.23 1.26 0.24 2.04 2.04 0.21 -2.09 117.51 121.44 2dk8 h ILE 19 Ca 0.42 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2dk8 h ILE 19 Cb 0.73 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2dk8 h ILE 19 CO -0.54 0.30 -0.22 0.40 0.00 0.00 0.00 178.15 178.09 2dk8 h ILE 20 N 1.24 0.52 -0.80 -0.67 1.08 0.91 1.04 117.51 120.83 2dk8 h ILE 20 Ca 0.31 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.98 2dk8 h ILE 20 Cb 0.07 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 2dk8 h ILE 20 CO -0.04 0.00 0.55 -0.33 -0.69 0.00 0.00 178.15 177.63 2dk8 h GLU 21 N -0.49 0.20 0.07 2.37 5.08 -0.61 0.14 114.58 121.34 2dk8 h GLU 21 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2dk8 h GLU 21 Cb 0.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2dk8 h GLU 21 CO -0.04 0.13 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.00 2dk8 h LEU 22 N 0.21 -0.08 -1.94 1.33 3.38 -0.50 -2.33 115.31 115.39 2dk8 h LEU 22 Ca 0.39 -0.26 0.45 0.00 0.09 0.00 0.00 57.88 58.55 2dk8 h LEU 22 Cb 1.23 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 2dk8 h LEU 22 CO -0.08 0.53 1.15 0.00 0.09 0.00 0.00 178.44 180.12 2dk8 h HIS 24 N 0.00 0.28 -0.63 0.00 3.86 -1.00 -3.27 115.15 114.39 2dk8 h HIS 24 Ca 0.74 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.77 2dk8 h HIS 24 Cb 3.03 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 31.44 2dk8 h HIS 24 CO 0.00 1.02 0.35 1.96 0.86 0.00 0.00 177.93 182.12 2dk8 h GLN 25 N -0.54 0.86 -4.67 2.45 1.08 0.27 -3.36 115.11 111.20 2dk8 h GLN 25 Ca -0.05 -0.09 -0.68 0.00 -1.45 0.00 0.00 58.65 56.39 2dk8 h GLN 25 Cb 1.12 -0.18 -0.35 0.00 -0.05 0.00 0.00 27.48 28.02 2dk8 h GLN 25 CO 0.06 0.63 -0.66 -0.06 -0.95 0.00 0.00 178.83 177.85 2dk8 s PHE 26 N -5.60 3.48 0.21 2.96 0.40 0.21 -4.95 117.98 114.70 2dk8 s PHE 26 Ca -0.10 -2.34 0.10 0.00 -0.60 0.00 0.00 56.93 53.98 2dk8 s PHE 26 Cb 0.17 -2.65 0.18 0.00 0.51 0.00 0.00 43.02 41.23 2dk8 s PHE 26 CO 0.78 -0.90 1.50 -1.00 0.70 0.00 0.00 175.22 176.30 2dk8 h PRO 27 N 7.91 0.00 -0.48 0.24 0.13 -1.73 -3.15 132.00 134.91 2dk8 h PRO 27 Ca -0.14 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.86 2dk8 h PRO 27 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2dk8 h PRO 27 CO 0.58 0.73 -0.20 0.45 -0.23 0.00 0.00 178.00 179.33 2dk8 h HIS 28 N 0.00 1.14 0.00 1.56 3.86 -1.92 -3.42 115.15 116.37 2dk8 h HIS 28 Ca -0.01 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2dk8 h HIS 28 Cb 1.31 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.52 2dk8 h HIS 28 CO 0.00 1.10 0.00 0.41 0.86 0.00 0.00 177.93 180.30 2dk8 n GLY 29 N -0.12 1.49 2.82 2.45 0.00 -1.19 -4.71 105.19 105.92 2dk8 n GLY 29 Ca 0.00 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 2dk8 n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dk8 s ILE 30 N -1.26 -0.03 0.22 -0.61 -4.36 0.55 -4.82 121.20 110.88 2dk8 s ILE 30 Ca 0.00 0.12 -0.05 0.00 -0.26 0.00 0.00 60.65 60.46 2dk8 s ILE 30 Cb 0.00 -0.05 -0.05 0.00 1.25 0.00 0.00 42.46 43.61 2dk8 s ILE 30 CO 0.00 0.05 0.47 0.42 0.24 0.00 0.00 174.94 176.12 2dk8 s THR 31 N 0.57 5.09 0.32 8.37 -4.23 -1.26 -1.11 115.64 123.39 2dk8 s THR 31 Ca -0.05 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 2dk8 s THR 31 Cb -0.07 -3.69 0.41 0.00 1.34 0.00 0.00 72.50 70.49 2dk8 s THR 31 CO -0.02 -0.16 1.57 -2.24 -0.54 0.00 0.00 174.62 173.24 2dk8 h ASP 32 N 2.19 -0.33 -0.34 3.99 2.03 -1.98 0.40 116.42 122.36 2dk8 h ASP 32 Ca -0.47 0.28 0.05 0.00 -0.73 0.00 0.00 57.03 56.15 2dk8 h ASP 32 Cb 1.18 0.45 -0.08 0.00 -0.83 0.00 0.00 39.33 40.05 2dk8 h ASP 32 CO 0.69 -0.38 -0.55 -0.61 -1.03 0.00 0.00 179.24 177.36 2dk8 h GLN 33 N 0.00 -0.43 0.00 4.15 5.75 -1.96 0.22 115.11 122.86 2dk8 h GLN 33 Ca 0.65 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 59.18 2dk8 h GLN 33 Cb 1.44 0.10 0.00 0.00 1.07 0.00 0.00 27.48 30.09 2dk8 h GLN 33 CO -0.90 -0.28 0.00 0.28 -2.65 0.00 0.00 178.83 175.27 2dk8 n VAL 34 N -5.39 0.00 -0.29 2.39 0.31 0.14 0.15 118.33 115.64 2dk8 n VAL 34 Ca -0.04 1.43 0.34 0.00 -0.01 0.00 0.00 64.34 66.06 2dk8 n VAL 34 Cb 0.35 -2.02 0.65 0.00 -0.91 0.00 0.00 33.84 31.91 2dk8 n VAL 34 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dk8 h ILE 35 N 0.00 0.15 0.14 2.52 2.04 -1.30 1.12 117.51 122.18 2dk8 h ILE 35 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2dk8 h ILE 35 Cb 0.00 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2dk8 h ILE 35 CO 0.00 0.00 -0.07 -0.61 0.00 0.00 0.00 178.15 177.47 2dk8 h GLN 36 N 0.00 -0.18 0.00 2.37 4.15 0.48 1.49 115.11 123.42 2dk8 h GLN 36 Ca 0.55 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.97 2dk8 h GLN 36 Cb 2.65 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 30.38 2dk8 h GLN 36 CO -0.01 0.27 -0.05 -0.91 -1.93 0.00 0.00 178.83 176.20 2dk8 h ASN 37 N -0.74 0.00 0.02 -0.69 2.35 0.50 0.30 115.58 117.33 2dk8 h ASN 37 Ca -0.02 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.56 2dk8 h ASN 37 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 2dk8 h ASN 37 CO 0.03 0.05 -0.90 -0.33 -1.65 0.00 0.00 177.43 174.64 2dk8 h GLU 38 N 0.00 0.05 -2.06 0.81 4.39 0.94 -3.42 114.58 115.29 2dk8 h GLU 38 Ca -0.00 -0.08 -0.57 0.00 0.34 0.00 0.00 59.36 59.05 2dk8 h GLU 38 Cb 0.60 0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 28.88 2dk8 h GLU 38 CO 0.01 1.04 -0.97 -1.33 -1.16 0.00 0.00 179.01 176.60 2dk8 n MET 39 N -4.38 1.27 0.24 2.33 2.81 0.51 -4.90 117.12 115.00 2dk8 n MET 39 Ca -0.24 -3.66 0.15 0.00 -1.81 0.00 0.00 57.70 52.14 2dk8 n MET 39 Cb 0.66 -1.54 0.44 0.00 -0.71 0.00 0.00 33.22 32.07 2dk8 n MET 39 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2dk8 h PRO 40 N 3.96 0.00 0.00 0.03 0.13 -0.50 -2.72 132.00 132.90 2dk8 h PRO 40 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2dk8 h PRO 40 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2dk8 h PRO 40 CO 0.57 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.95 2dk8 n HIS 41 N -3.01 0.00 -2.62 1.56 1.44 -1.26 -4.72 115.22 106.61 2dk8 n HIS 41 Ca 0.02 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.41 2dk8 n HIS 41 Cb 0.41 -0.37 -0.05 0.00 0.12 0.00 0.00 29.99 30.09 2dk8 n HIS 41 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2dk8 s ILE 42 N -2.74 4.46 0.70 0.61 -1.09 -1.03 -4.10 121.20 118.02 2dk8 s ILE 42 Ca 0.11 1.35 -0.10 0.00 -2.23 0.00 0.00 60.65 59.78 2dk8 s ILE 42 Cb 0.10 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 2dk8 s ILE 42 CO 0.25 -0.50 1.07 -1.61 -1.23 0.00 0.00 174.94 172.92 2dk8 s GLU 43 N -3.61 2.73 0.05 2.79 2.02 -1.26 -4.83 118.70 116.60 2dk8 s GLU 43 Ca 0.60 0.30 -0.24 0.00 0.02 0.00 0.00 54.97 55.65 2dk8 s GLU 43 Cb -0.09 -2.07 -0.16 0.00 0.10 0.00 0.00 34.13 31.91 2dk8 s GLU 43 CO 0.22 -1.05 1.57 0.00 0.02 0.00 0.00 175.26 176.02 2dk8 h ALA 44 N -0.61 0.02 -0.22 5.21 0.00 -1.96 0.40 119.26 122.11 2dk8 h ALA 44 Ca -0.45 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 2dk8 h ALA 44 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2dk8 h ALA 44 CO 0.63 -0.39 -0.42 1.96 0.00 0.00 0.00 179.25 181.04 2dk8 h GLN 45 N -0.14 0.51 0.29 0.00 4.20 -1.99 -2.49 115.11 115.49 2dk8 h GLN 45 Ca 0.01 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2dk8 h GLN 45 Cb 0.18 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2dk8 h GLN 45 CO -0.00 0.84 -0.14 1.96 -0.67 0.00 0.00 178.83 180.82 2dk8 h GLN 46 N 0.42 -0.37 -0.61 1.46 4.20 -1.89 0.91 115.11 119.24 2dk8 h GLN 46 Ca 0.03 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.88 2dk8 h GLN 46 Cb 0.91 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.69 2dk8 h GLN 46 CO 0.08 -0.10 0.15 0.00 -0.67 0.00 0.00 178.83 178.29 2dk8 h ARG 47 N -0.61 0.28 0.37 1.46 3.08 -0.20 0.62 114.38 119.38 2dk8 h ARG 47 Ca -0.04 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2dk8 h ARG 47 Cb 0.44 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2dk8 h ARG 47 CO 0.06 0.19 -0.18 0.00 -1.07 0.00 0.00 179.97 178.98 2dk8 h ALA 48 N 1.47 -0.50 -0.25 0.04 0.00 -1.34 -2.16 119.26 116.52 2dk8 h ALA 48 Ca 0.32 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2dk8 h ALA 48 Cb 0.46 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2dk8 h ALA 48 CO -0.38 -0.57 -0.15 0.28 0.00 0.00 0.00 179.25 178.43 2dk8 h VAL 49 N -0.92 0.00 -0.76 0.00 2.07 0.14 1.71 116.25 118.48 2dk8 h VAL 49 Ca -0.05 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.64 2dk8 h VAL 49 Cb 0.54 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.17 2dk8 h VAL 49 CO 0.08 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.60 2dk8 h ALA 50 N -0.63 0.69 0.48 1.67 0.00 -0.98 0.84 119.26 121.33 2dk8 h ALA 50 Ca 0.04 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2dk8 h ALA 50 Cb 0.10 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dk8 h ALA 50 CO -0.23 -0.43 -0.36 0.82 0.00 0.00 0.00 179.25 179.05 2dk8 h ILE 51 N 0.06 0.00 -0.57 0.00 2.04 0.61 0.75 117.51 120.40 2dk8 h ILE 51 Ca 0.40 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.37 2dk8 h ILE 51 Cb 0.68 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.65 2dk8 h ILE 51 CO -0.72 0.00 -0.24 -1.13 0.00 0.00 0.00 178.15 176.06 2dk8 h ASN 52 N -0.81 -0.84 -0.23 1.72 -0.73 0.37 0.30 115.58 115.37 2dk8 h ASN 52 Ca -0.06 0.20 0.04 0.00 1.87 0.00 0.00 56.30 58.35 2dk8 h ASN 52 Cb 0.67 0.46 -0.07 0.00 0.27 0.00 0.00 38.32 39.65 2dk8 h ASN 52 CO 0.02 -0.26 -0.51 0.03 -0.37 0.00 0.00 177.43 176.34 2dk8 h ARG 53 N -0.10 -0.48 -0.52 6.67 -0.00 0.95 0.29 114.38 121.20 2dk8 h ARG 53 Ca 0.26 0.03 0.09 0.00 -0.50 0.00 0.00 59.98 59.87 2dk8 h ARG 53 Cb 0.50 0.11 -0.08 0.00 0.00 0.00 0.00 29.97 30.51 2dk8 h ARG 53 CO -0.64 -0.32 0.07 -0.07 0.00 0.00 0.00 179.97 179.02 2dk8 h LEU 54 N -0.50 -0.07 -0.47 3.04 3.38 0.58 1.54 115.31 122.81 2dk8 h LEU 54 Ca 0.06 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.23 2dk8 h LEU 54 Cb 0.65 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 2dk8 h LEU 54 CO -0.48 -0.01 -0.10 -0.07 0.09 0.00 0.00 178.44 177.87 2dk8 h LEU 55 N 0.20 -0.40 0.43 1.67 3.38 0.13 0.49 115.31 121.21 2dk8 h LEU 55 Ca 0.26 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 2dk8 h LEU 55 Cb 0.38 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2dk8 h LEU 55 CO -0.37 -0.14 -0.21 -1.28 0.09 0.00 0.00 178.44 176.53 2dk8 h SER 56 N 0.02 -0.49 -0.85 -0.43 0.87 0.12 -3.20 113.55 109.60 2dk8 h SER 56 Ca 0.23 -0.07 0.31 0.00 -1.23 0.00 0.00 61.79 61.03 2dk8 h SER 56 Cb 0.35 0.13 -0.16 0.00 -0.44 0.00 0.00 62.40 62.28 2dk8 h SER 56 CO -0.47 -0.06 0.30 0.23 -0.53 0.00 0.00 176.83 176.30 2dk8 n MET 57 N -5.17 -0.06 0.00 2.24 2.81 0.51 -4.74 117.12 112.71 2dk8 n MET 57 Ca -0.09 1.21 0.00 0.00 -1.81 0.00 0.00 57.70 57.02 2dk8 n MET 57 Cb 0.27 -2.08 0.00 0.00 -0.71 0.00 0.00 33.22 30.70 2dk8 n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dk8 n GLY 58 N -1.30 1.33 0.10 3.03 0.00 0.11 -4.99 105.19 103.46 2dk8 n GLY 58 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 2dk8 n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dk8 n GLN 59 N -1.49 0.91 -4.33 1.61 6.02 -0.85 -4.79 117.38 114.47 2dk8 n GLN 59 Ca 0.00 0.03 -0.32 0.00 -0.01 0.00 0.00 57.00 56.70 2dk8 n GLN 59 Cb 0.00 -1.47 -0.09 0.00 1.02 0.00 0.00 30.24 29.70 2dk8 n GLN 59 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2dk8 s LEU 60 N -5.60 3.38 -0.10 1.08 2.96 -1.08 -2.35 118.68 116.97 2dk8 s LEU 60 Ca -0.15 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2dk8 s LEU 60 Cb 0.06 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2dk8 s LEU 60 CO 0.69 0.27 -0.15 -0.62 -1.32 0.00 0.00 176.35 175.22 2dk8 s ASP 61 N -1.57 3.85 -0.02 3.68 2.15 0.11 -4.14 116.67 120.74 2dk8 s ASP 61 Ca 0.19 -0.33 -0.15 0.00 0.43 0.00 0.00 52.55 52.69 2dk8 s ASP 61 Cb -0.11 -1.32 -0.06 0.00 -0.30 0.00 0.00 42.92 41.13 2dk8 s ASP 61 CO 0.10 0.22 0.42 -0.22 -0.17 0.00 0.00 175.17 175.52 2dk8 s LEU 62 N 0.02 4.45 -0.22 -1.34 0.20 -1.26 -0.95 118.68 119.57 2dk8 s LEU 62 Ca -0.05 0.95 -0.04 0.00 0.69 0.00 0.00 54.13 55.67 2dk8 s LEU 62 Cb -0.14 -2.61 0.08 0.00 -0.43 0.00 0.00 46.19 43.09 2dk8 s LEU 62 CO 0.04 0.28 0.10 -0.76 -0.29 0.00 0.00 176.35 175.72 2dk8 s LEU 63 N -0.83 0.53 -0.54 -0.68 1.43 0.42 -4.96 118.68 114.04 2dk8 s LEU 63 Ca 0.24 -0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 52.14 2dk8 s LEU 63 Cb -0.17 -0.32 0.03 0.00 0.03 0.00 0.00 46.19 45.76 2dk8 s LEU 63 CO 0.13 -0.39 1.14 -0.13 0.23 0.00 0.00 176.35 177.34 2dk8 s ARG 64 N 2.09 3.58 -0.15 1.70 3.00 -1.26 0.17 118.95 128.08 2dk8 s ARG 64 Ca 0.05 0.32 -0.16 0.00 0.00 0.00 0.00 55.73 55.94 2dk8 s ARG 64 Cb -0.16 -3.98 0.04 0.00 0.00 0.00 0.00 34.95 30.86 2dk8 s ARG 64 CO -0.21 -1.54 0.45 0.45 0.00 0.00 0.00 175.30 174.45 2dk8 s SER 65 N 2.74 -0.45 0.38 0.23 0.15 -1.23 -4.96 113.70 110.57 2dk8 s SER 65 Ca 0.44 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.89 2dk8 s SER 65 Cb -0.08 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2dk8 s SER 65 CO 0.27 -0.21 0.00 0.59 1.20 0.00 0.00 173.24 175.09 2dk8 n ASN 66 N 2.55 -3.62 -4.57 5.45 4.13 -1.26 -4.35 115.26 113.60 2dk8 n ASN 66 Ca -0.15 0.31 -0.48 0.00 1.68 0.00 0.00 54.58 55.95 2dk8 n ASN 66 Cb 0.57 -0.96 -0.05 0.00 -1.54 0.00 0.00 39.78 37.79 2dk8 n ASN 66 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2dk8 n THR 67 N -1.57 0.37 -0.72 3.41 5.66 -1.26 -4.59 114.28 115.58 2dk8 n THR 67 Ca 0.00 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2dk8 n THR 67 Cb 0.13 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 66.95 2dk8 n THR 67 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dk8 n GLY 68 N 5.57 -2.82 3.82 1.09 0.00 -1.26 -5.00 105.19 106.58 2dk8 n GLY 68 Ca 0.32 -1.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 2dk8 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dk8 s LEU 69 N 0.00 3.50 0.06 0.99 1.43 -1.26 -3.53 118.68 119.86 2dk8 s LEU 69 Ca 0.00 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.60 2dk8 s LEU 69 Cb 0.00 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2dk8 s LEU 69 CO 0.00 -0.35 -0.23 -0.22 0.23 0.00 0.00 176.35 175.77 2dk8 s LEU 70 N -3.96 2.19 -0.12 1.79 0.20 0.45 -4.42 118.68 114.82 2dk8 s LEU 70 Ca 0.40 -0.58 0.01 0.00 0.69 0.00 0.00 54.13 54.65 2dk8 s LEU 70 Cb -0.05 -1.10 0.02 0.00 -0.43 0.00 0.00 46.19 44.63 2dk8 s LEU 70 CO 0.26 0.19 -0.14 -0.31 -0.29 0.00 0.00 176.35 176.06 2dk8 s TYR 71 N -0.85 1.95 0.39 5.38 2.02 -0.27 0.16 117.35 126.13 2dk8 s TYR 71 Ca 0.10 -0.97 0.04 0.00 -0.37 0.00 0.00 57.07 55.86 2dk8 s TYR 71 Cb -0.09 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 2dk8 s TYR 71 CO 0.02 -0.53 0.15 -0.98 -1.57 0.00 0.00 175.55 172.65 2dk8 s ARG 72 N 1.20 1.88 0.07 -0.62 1.70 -0.12 0.20 118.95 123.26 2dk8 s ARG 72 Ca -0.02 -2.13 -0.31 0.00 -0.47 0.00 0.00 55.73 52.80 2dk8 s ARG 72 Cb -0.14 -0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 33.73 2dk8 s ARG 72 CO -0.05 -0.50 1.35 0.42 -1.08 0.00 0.00 175.30 175.44 2dk8 s ILE 73 N -3.27 3.58 0.51 4.99 -1.09 -1.25 0.09 121.20 124.76 2dk8 s ILE 73 Ca 0.27 1.10 -0.23 0.00 -2.23 0.00 0.00 60.65 59.56 2dk8 s ILE 73 Cb 0.03 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 37.14 2dk8 s ILE 73 CO 0.17 0.06 1.37 1.17 -1.23 0.00 0.00 174.94 176.48 2dk8 n LYS 74 N 4.29 1.86 -1.59 2.79 4.81 -0.99 -4.68 118.16 124.65 2dk8 n LYS 74 Ca 0.11 0.68 -0.46 0.00 -0.87 0.00 0.00 58.31 57.77 2dk8 n LYS 74 Cb 0.44 -2.58 -0.03 0.00 0.02 0.00 0.00 35.03 32.88 2dk8 n LYS 74 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2dk8 n ASP 75 N -0.71 1.42 -0.09 3.14 8.00 -1.26 -4.92 116.55 122.12 2dk8 n ASP 75 Ca 0.09 1.16 -0.10 0.00 0.71 0.00 0.00 54.79 56.65 2dk8 n ASP 75 Cb 0.43 -1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.23 2dk8 n ASP 75 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2dk8 n SER 76 N 1.60 1.91 -4.17 -2.24 2.88 -1.26 -5.04 113.62 107.30 2dk8 n SER 76 Ca 0.12 0.41 -0.15 0.00 -1.33 0.00 0.00 58.87 57.92 2dk8 n SER 76 Cb 0.29 -0.78 -0.11 0.00 -0.75 0.00 0.00 64.21 62.86 2dk8 n SER 76 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dk8 s GLY 77 N -4.79 0.84 -0.07 0.46 0.00 -1.26 -5.08 107.32 97.42 2dk8 s GLY 77 Ca -0.26 -1.17 -0.16 0.00 0.00 0.00 0.00 44.72 43.13 2dk8 s GLY 77 CO 0.39 -1.23 0.63 -0.56 0.00 0.00 0.00 173.10 172.32 2dk8 h PRO 78 N 3.63 -0.20 -4.24 2.90 0.13 -2.02 -3.46 132.00 128.73 2dk8 h PRO 78 Ca -0.37 0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.42 2dk8 h PRO 78 Cb 1.19 0.05 -0.30 0.00 0.13 0.00 0.00 31.00 32.07 2dk8 h PRO 78 CO 0.52 0.15 -0.76 -1.12 -0.23 0.00 0.00 178.00 176.56 2dk8 s SER 79 N -5.46 0.70 0.50 1.44 0.01 -1.26 -5.08 113.70 104.54 2dk8 s SER 79 Ca -0.10 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2dk8 s SER 79 Cb 0.00 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2dk8 s SER 79 CO 0.35 0.03 0.00 -0.24 0.41 0.00 0.00 173.24 173.79 2dk8 n SER 80 N 3.26 -6.59 0.00 2.44 2.88 -1.26 -5.24 113.62 109.10 2dk8 n SER 80 Ca -0.17 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 2dk8 n SER 80 Cb 0.56 -3.99 0.00 0.00 -0.75 0.00 0.00 64.21 60.03 2dk8 n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42