#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk8 n SER 2 N 0.00 0.00 -3.34 1.61 2.88 -1.26 -5.15 113.62 108.35 2dk8 n SER 2 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2dk8 n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2dk8 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dk8 s SER 3 N 0.00 -1.09 0.48 -3.46 0.15 -1.26 -5.17 113.70 103.35 2dk8 s SER 3 Ca 0.00 1.02 0.08 0.00 0.70 0.00 0.00 55.95 57.75 2dk8 s SER 3 Cb 0.00 2.06 0.03 0.00 -1.71 0.00 0.00 66.02 66.40 2dk8 s SER 3 CO 0.00 -0.25 0.65 -0.83 1.20 0.00 0.00 173.24 174.01 2dk8 s GLY 4 N 2.83 1.88 -0.15 9.45 0.00 -1.26 -5.13 107.32 114.94 2dk8 s GLY 4 Ca 0.11 -1.77 -0.34 0.00 0.00 0.00 0.00 44.72 42.72 2dk8 s GLY 4 CO -0.19 -1.50 1.37 -1.35 0.00 0.00 0.00 173.10 171.42 2dk8 s SER 5 N -4.45 -0.03 -0.42 1.64 1.04 -1.26 -5.10 113.70 105.13 2dk8 s SER 5 Ca 0.57 -0.03 -0.38 0.00 0.48 0.00 0.00 55.95 56.59 2dk8 s SER 5 Cb -0.09 0.05 -0.14 0.00 0.10 0.00 0.00 66.02 65.94 2dk8 s SER 5 CO 0.35 -0.09 2.18 -0.24 0.98 0.00 0.00 173.24 176.42 2dk8 n SER 6 N -0.31 1.58 0.00 7.02 2.88 -1.26 -4.68 113.62 118.84 2dk8 n SER 6 Ca -0.04 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2dk8 n SER 6 Cb 0.61 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2dk8 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk8 n GLY 7 N 6.91 2.87 3.29 0.46 0.00 -1.26 -4.96 105.19 112.50 2dk8 n GLY 7 Ca 0.47 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 2dk8 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk8 n PRO 8 N 0.00 2.29 -2.64 1.61 -0.04 -1.26 -4.34 135.00 130.62 2dk8 n PRO 8 Ca 0.00 -2.58 -0.03 0.00 -0.04 0.00 0.00 63.50 60.85 2dk8 n PRO 8 Cb 0.00 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.08 2dk8 n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2dk8 n ASP 9 N 9.33 -7.38 -1.90 3.54 9.92 -1.26 -4.79 116.55 124.01 2dk8 n ASP 9 Ca 0.49 0.93 0.00 0.00 -0.53 0.00 0.00 54.79 55.68 2dk8 n ASP 9 Cb 0.43 -4.92 0.00 0.00 -0.64 0.00 0.00 41.12 36.00 2dk8 n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dk8 n ALA 10 N 0.21 -2.21 -1.04 2.24 0.00 -1.26 -4.89 120.51 113.56 2dk8 n ALA 10 Ca 0.05 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 2dk8 n ALA 10 Cb 0.18 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 18.45 2dk8 n ALA 10 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dk8 n ASP 11 N 1.55 -2.78 0.07 0.00 2.03 -1.26 -4.83 116.55 111.33 2dk8 n ASP 11 Ca 0.00 0.42 -0.04 0.00 0.52 0.00 0.00 54.79 55.69 2dk8 n ASP 11 Cb 0.00 -1.08 -0.02 0.00 -0.72 0.00 0.00 41.12 39.30 2dk8 n ASP 11 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dk8 h PRO 12 N -0.89 -0.23 -0.97 -0.67 0.13 -1.93 -2.67 132.00 124.76 2dk8 h PRO 12 Ca -0.44 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.87 2dk8 h PRO 12 Cb 1.32 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 32.34 2dk8 h PRO 12 CO 0.35 -0.15 -0.35 -0.24 -0.23 0.00 0.00 178.00 177.38 2dk8 h VAL 13 N -0.75 0.01 -0.23 1.56 3.04 -1.99 0.68 116.25 118.56 2dk8 h VAL 13 Ca -0.02 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.72 2dk8 h VAL 13 Cb 0.18 0.01 -0.06 0.00 -2.01 0.00 0.00 31.29 29.41 2dk8 h VAL 13 CO 0.04 0.00 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.12 2dk8 h GLU 14 N -0.01 -0.14 -1.00 4.17 4.39 -1.95 0.35 114.58 120.39 2dk8 h GLU 14 Ca 0.38 0.01 0.21 0.00 0.34 0.00 0.00 59.36 60.29 2dk8 h GLU 14 Cb 0.63 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.20 2dk8 h GLU 14 CO -0.98 -0.09 0.60 0.82 -1.16 0.00 0.00 179.01 178.20 2dk8 h ILE 15 N -0.14 0.65 -0.01 3.13 2.04 0.62 0.14 117.51 123.93 2dk8 h ILE 15 Ca 0.13 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2dk8 h ILE 15 Cb 0.34 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2dk8 h ILE 15 CO -0.32 0.13 -0.01 -0.33 0.00 0.00 0.00 178.15 177.62 2dk8 h GLU 16 N 0.70 0.02 -0.78 2.37 5.08 0.12 -2.93 114.58 119.16 2dk8 h GLU 16 Ca 0.60 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 59.13 2dk8 h GLU 16 Cb 1.01 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.12 2dk8 h GLU 16 CO -0.42 0.47 0.04 -0.91 -1.00 0.00 0.00 179.01 177.20 2dk8 h ASN 17 N -0.44 -0.30 -0.62 1.42 2.35 0.14 0.57 115.58 118.70 2dk8 h ASN 17 Ca 0.00 0.20 0.07 0.00 -0.55 0.00 0.00 56.30 56.02 2dk8 h ASN 17 Cb 0.47 0.33 -0.06 0.00 0.05 0.00 0.00 38.32 39.11 2dk8 h ASN 17 CO 0.00 -0.18 0.30 -0.09 -1.65 0.00 0.00 177.43 175.82 2dk8 h ARG 18 N 0.12 0.53 -0.93 0.81 1.12 -1.07 0.01 114.38 114.97 2dk8 h ARG 18 Ca 0.43 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.28 2dk8 h ARG 18 Cb 0.78 -0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 30.58 2dk8 h ARG 18 CO -0.67 0.35 0.61 0.82 -3.11 0.00 0.00 179.97 177.98 2dk8 h ILE 19 N 0.54 1.23 0.34 1.20 2.04 0.21 -1.82 117.51 121.25 2dk8 h ILE 19 Ca 0.30 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2dk8 h ILE 19 Cb 0.27 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 2dk8 h ILE 19 CO -0.23 0.23 -0.24 0.40 0.00 0.00 0.00 178.15 178.30 2dk8 h ILE 20 N 1.25 0.49 -0.93 -0.67 1.08 0.89 1.03 117.51 120.64 2dk8 h ILE 20 Ca 0.34 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 65.02 2dk8 h ILE 20 Cb -0.13 0.49 -0.07 0.00 -3.07 0.00 0.00 36.82 34.03 2dk8 h ILE 20 CO -0.08 0.00 0.61 -0.33 -0.69 0.00 0.00 178.15 177.66 2dk8 h GLU 21 N -0.58 0.47 0.18 2.37 5.08 -0.77 0.39 114.58 121.71 2dk8 h GLU 21 Ca -0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2dk8 h GLU 21 Cb 0.50 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2dk8 h GLU 21 CO 0.01 0.31 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.17 2dk8 h LEU 22 N 0.48 -0.20 -1.90 1.33 3.38 -0.47 -0.63 115.31 117.29 2dk8 h LEU 22 Ca 0.49 -0.24 0.28 0.00 0.09 0.00 0.00 57.88 58.50 2dk8 h LEU 22 Cb 1.13 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2dk8 h LEU 22 CO -0.22 0.35 0.76 0.00 0.09 0.00 0.00 178.44 179.42 2dk8 h HIS 24 N 0.00 0.62 -0.06 0.00 3.86 -0.20 -3.19 115.15 116.18 2dk8 h HIS 24 Ca 0.45 -0.45 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 2dk8 h HIS 24 Cb 1.97 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.41 2dk8 h HIS 24 CO 0.00 1.38 -0.38 1.96 0.86 0.00 0.00 177.93 181.74 2dk8 h GLN 25 N 0.09 0.12 -4.71 2.45 1.08 0.36 -3.39 115.11 111.12 2dk8 h GLN 25 Ca -0.18 -0.05 -0.66 0.00 -1.45 0.00 0.00 58.65 56.31 2dk8 h GLN 25 Cb 2.03 -0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 29.07 2dk8 h GLN 25 CO 0.22 0.49 -0.76 -0.06 -0.95 0.00 0.00 178.83 177.77 2dk8 s PHE 26 N -4.18 3.42 -0.32 2.96 0.40 0.13 -4.95 117.98 115.45 2dk8 s PHE 26 Ca -0.04 -2.61 0.27 0.00 -0.60 0.00 0.00 56.93 53.96 2dk8 s PHE 26 Cb 0.14 -2.39 0.88 0.00 0.51 0.00 0.00 43.02 42.16 2dk8 s PHE 26 CO 0.75 -0.91 1.78 -1.00 0.70 0.00 0.00 175.22 176.54 2dk8 h PRO 27 N 7.71 0.00 0.05 0.24 0.13 -1.76 -2.97 132.00 135.39 2dk8 h PRO 27 Ca -0.11 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.74 2dk8 h PRO 27 Cb 1.03 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 2dk8 h PRO 27 CO 0.49 0.00 -1.41 0.45 -0.23 0.00 0.00 178.00 177.29 2dk8 h HIS 28 N 0.00 0.17 0.00 1.56 3.86 -1.92 -3.44 115.15 115.39 2dk8 h HIS 28 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2dk8 h HIS 28 Cb 0.68 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.14 2dk8 h HIS 28 CO 0.00 1.15 0.00 0.41 0.86 0.00 0.00 177.93 180.35 2dk8 n GLY 29 N 1.53 1.80 3.19 2.45 0.00 -1.12 -4.74 105.19 108.30 2dk8 n GLY 29 Ca -0.11 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.43 0.95 0.04 -0.61 -4.36 0.33 -4.82 121.20 111.30 2dk8 s ILE 30 Ca 0.00 -1.82 0.04 0.00 -0.26 0.00 0.00 60.65 58.62 2dk8 s ILE 30 Cb 0.00 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 42.11 2dk8 s ILE 30 CO 0.00 -0.68 -0.06 0.42 0.24 0.00 0.00 174.94 174.86 2dk8 s THR 31 N -2.93 3.65 0.56 8.37 -4.23 -1.26 -0.76 115.64 119.04 2dk8 s THR 31 Ca 0.10 -0.92 0.45 0.00 -1.18 0.00 0.00 61.69 60.14 2dk8 s THR 31 Cb 0.00 -2.64 0.67 0.00 1.34 0.00 0.00 72.50 71.87 2dk8 s THR 31 CO -0.01 0.28 1.64 -0.78 -0.54 0.00 0.00 174.62 175.21 2dk8 h ASP 32 N 4.13 0.00 0.13 3.99 3.58 -2.00 1.05 116.42 127.30 2dk8 h ASP 32 Ca -0.48 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.96 2dk8 h ASP 32 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2dk8 h ASP 32 CO 0.54 0.00 -0.06 -0.61 -2.88 0.00 0.00 179.24 176.23 2dk8 h GLN 33 N 0.00 -0.16 0.01 0.28 5.75 -1.95 -1.90 115.11 117.14 2dk8 h GLN 33 Ca 0.80 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 59.32 2dk8 h GLN 33 Cb 3.27 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 31.84 2dk8 h GLN 33 CO -0.01 0.08 -0.16 0.28 -2.65 0.00 0.00 178.83 176.38 2dk8 h VAL 34 N -0.40 0.00 -1.30 2.39 2.07 0.77 0.29 116.25 120.07 2dk8 h VAL 34 Ca -0.02 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.88 2dk8 h VAL 34 Cb 0.32 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 2dk8 h VAL 34 CO 0.03 0.00 1.03 0.40 0.02 0.00 0.00 177.57 179.04 2dk8 h ILE 35 N -0.21 0.23 -0.00 4.57 2.04 -1.55 0.90 117.51 123.49 2dk8 h ILE 35 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2dk8 h ILE 35 Cb 0.22 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2dk8 h ILE 35 CO -0.10 0.00 0.00 -0.61 0.00 0.00 0.00 178.15 177.44 2dk8 h GLN 36 N 0.00 0.01 0.00 2.37 4.15 0.35 1.48 115.11 123.47 2dk8 h GLN 36 Ca 0.62 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 60.04 2dk8 h GLN 36 Cb 2.66 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 30.35 2dk8 h GLN 36 CO -0.01 0.29 -0.00 -0.97 -1.93 0.00 0.00 178.83 176.22 2dk8 h ASN 37 N -0.28 0.00 0.12 -0.69 -0.73 0.23 0.55 115.58 114.78 2dk8 h ASN 37 Ca 0.00 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.89 2dk8 h ASN 37 Cb 0.29 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.88 2dk8 h ASN 37 CO 0.00 0.00 -1.41 -0.33 -0.37 0.00 0.00 177.43 175.33 2dk8 h GLU 38 N 0.00 0.26 -1.59 6.67 4.39 -0.29 -3.42 114.58 120.60 2dk8 h GLU 38 Ca -0.00 -0.44 -0.49 0.00 0.34 0.00 0.00 59.36 58.77 2dk8 h GLU 38 Cb 0.53 0.16 -0.34 0.00 -0.10 0.00 0.00 28.75 29.01 2dk8 h GLU 38 CO 0.00 1.21 -0.98 -1.33 -1.16 0.00 0.00 179.01 176.75 2dk8 n MET 39 N -3.91 0.72 0.00 2.33 2.81 0.50 -4.93 117.12 114.64 2dk8 n MET 39 Ca -0.24 -2.91 0.12 0.00 -1.81 0.00 0.00 57.70 52.86 2dk8 n MET 39 Cb 0.91 -1.27 0.69 0.00 -0.71 0.00 0.00 33.22 32.84 2dk8 n MET 39 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2dk8 n PRO 40 N 1.48 0.75 0.00 0.03 -0.04 0.19 -2.02 135.00 135.39 2dk8 n PRO 40 Ca 0.19 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2dk8 n PRO 40 Cb 0.55 -1.48 0.13 0.00 -0.04 0.00 0.00 33.50 32.66 2dk8 n PRO 40 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2dk8 n HIS 41 N -0.98 0.00 -1.77 0.54 1.44 -1.26 -4.92 115.22 108.27 2dk8 n HIS 41 Ca 0.17 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.56 2dk8 n HIS 41 Cb 0.08 -0.17 0.04 0.00 0.12 0.00 0.00 29.99 30.06 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 -2.99 3.78 0.45 0.61 -1.09 -0.86 -5.04 121.20 116.06 2dk8 s ILE 42 Ca 0.10 0.72 -0.08 0.00 -2.23 0.00 0.00 60.65 59.15 2dk8 s ILE 42 Cb 0.17 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 2dk8 s ILE 42 CO 0.75 -0.62 0.80 -1.61 -1.23 0.00 0.00 174.94 173.03 2dk8 s GLU 43 N -4.50 3.67 0.24 2.79 2.02 -1.26 -4.90 118.70 116.77 2dk8 s GLU 43 Ca 0.62 0.39 -0.06 0.00 0.02 0.00 0.00 54.97 55.94 2dk8 s GLU 43 Cb -0.16 -2.36 0.26 0.00 0.10 0.00 0.00 34.13 31.97 2dk8 s GLU 43 CO 0.46 -0.15 1.86 0.00 0.02 0.00 0.00 175.26 177.45 2dk8 h ALA 44 N 0.71 1.19 0.05 5.21 0.00 -1.99 0.40 119.26 124.84 2dk8 h ALA 44 Ca -0.47 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.10 2dk8 h ALA 44 Cb 1.19 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.66 2dk8 h ALA 44 CO 0.63 0.64 -0.83 1.96 0.00 0.00 0.00 179.25 181.65 2dk8 h GLN 45 N 1.19 0.47 -0.98 0.00 4.20 -1.98 -2.61 115.11 115.41 2dk8 h GLN 45 Ca 0.30 -0.57 0.01 0.00 0.06 0.00 0.00 58.65 58.44 2dk8 h GLN 45 Cb 0.05 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 2dk8 h GLN 45 CO -0.05 1.22 0.63 1.96 -0.67 0.00 0.00 178.83 181.92 2dk8 h GLN 46 N -0.02 1.30 -0.23 1.46 1.08 -1.88 1.18 115.11 118.01 2dk8 h GLN 46 Ca -0.12 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 56.97 2dk8 h GLN 46 Cb 1.55 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 2dk8 h GLN 46 CO 0.16 0.87 0.04 0.00 -0.95 0.00 0.00 178.83 178.95 2dk8 h ARG 47 N 1.33 0.38 0.07 1.46 3.08 -0.27 -2.26 114.38 118.17 2dk8 h ARG 47 Ca 0.36 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 2dk8 h ARG 47 Cb -0.13 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.88 2dk8 h ARG 47 CO -0.07 0.52 -0.03 0.00 -1.07 0.00 0.00 179.97 179.31 2dk8 h ALA 48 N 0.84 -0.09 -0.20 0.04 0.00 -1.04 -2.48 119.26 116.32 2dk8 h ALA 48 Ca 0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2dk8 h ALA 48 Cb 0.32 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2dk8 h ALA 48 CO 0.00 -0.35 -0.14 0.28 0.00 0.00 0.00 179.25 179.04 2dk8 h VAL 49 N -0.50 0.00 -0.75 0.00 2.07 0.14 1.58 116.25 118.80 2dk8 h VAL 49 Ca -0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.67 2dk8 h VAL 49 Cb 0.43 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.06 2dk8 h VAL 49 CO 0.02 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.47 2dk8 h ALA 50 N -0.73 0.58 0.40 1.67 0.00 -1.47 0.73 119.26 120.43 2dk8 h ALA 50 Ca 0.03 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2dk8 h ALA 50 Cb 0.11 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2dk8 h ALA 50 CO -0.20 -0.42 -0.38 0.82 0.00 0.00 0.00 179.25 179.07 2dk8 h ILE 51 N 0.02 0.00 -0.58 0.00 2.04 0.05 0.31 117.51 119.36 2dk8 h ILE 51 Ca 0.37 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.35 2dk8 h ILE 51 Cb 0.60 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.57 2dk8 h ILE 51 CO -0.74 0.00 -0.25 -1.13 0.00 0.00 0.00 178.15 176.04 2dk8 h ASN 52 N -0.77 -0.86 0.07 1.72 -0.73 0.36 1.48 115.58 116.84 2dk8 h ASN 52 Ca -0.05 0.20 0.02 0.00 1.87 0.00 0.00 56.30 58.34 2dk8 h ASN 52 Cb 0.66 0.47 -0.05 0.00 0.27 0.00 0.00 38.32 39.68 2dk8 h ASN 52 CO -0.04 -0.26 -0.53 0.03 -0.37 0.00 0.00 177.43 176.27 2dk8 h ARG 53 N -0.10 -0.69 -0.72 6.67 3.08 0.81 0.16 114.38 123.59 2dk8 h ARG 53 Ca 0.26 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.41 2dk8 h ARG 53 Cb 0.51 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.66 2dk8 h ARG 53 CO -0.64 -0.46 0.42 -0.07 -1.07 0.00 0.00 179.97 178.14 2dk8 h LEU 54 N -0.72 0.64 -1.10 3.04 3.38 0.88 0.91 115.31 122.35 2dk8 h LEU 54 Ca 0.00 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.19 2dk8 h LEU 54 Cb 0.74 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 2dk8 h LEU 54 CO -0.31 0.42 0.61 -0.07 0.09 0.00 0.00 178.44 179.18 2dk8 h LEU 55 N 0.78 0.72 0.00 1.67 3.38 0.32 0.18 115.31 122.35 2dk8 h LEU 55 Ca 0.31 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 2dk8 h LEU 55 Cb 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2dk8 h LEU 55 CO -0.17 0.27 -0.12 -1.28 0.09 0.00 0.00 178.44 177.23 2dk8 h SER 56 N 0.71 0.00 -1.50 -0.43 0.87 0.12 -3.32 113.55 110.01 2dk8 h SER 56 Ca 0.56 -0.01 0.43 0.00 -1.23 0.00 0.00 61.79 61.54 2dk8 h SER 56 Cb 0.94 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.84 2dk8 h SER 56 CO -0.34 0.57 1.28 0.24 -0.53 0.00 0.00 176.83 178.05 2dk8 h MET 57 N -1.00 0.00 0.00 2.24 2.86 0.10 -3.43 114.93 115.70 2dk8 h MET 57 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2dk8 h MET 57 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2dk8 h MET 57 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2dk8 n GLY 58 N -1.82 0.75 0.09 8.32 0.00 0.49 -4.96 105.19 108.06 2dk8 n GLY 58 Ca 0.34 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.38 0.65 -4.61 1.61 1.13 -0.41 -4.70 117.38 108.67 2dk8 n GLN 59 Ca 0.00 0.13 -0.30 0.00 -1.94 0.00 0.00 57.00 54.90 2dk8 n GLN 59 Cb 0.01 -1.68 -0.13 0.00 0.11 0.00 0.00 30.24 28.55 2dk8 n GLN 59 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2dk8 s LEU 60 N -5.70 2.38 -0.14 1.08 2.96 -0.99 -3.19 118.68 115.09 2dk8 s LEU 60 Ca -0.06 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2dk8 s LEU 60 Cb 0.08 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.41 2dk8 s LEU 60 CO 0.83 0.22 -0.17 -0.62 -1.32 0.00 0.00 176.35 175.29 2dk8 s ASP 61 N -1.66 3.59 -0.16 3.68 -1.08 0.41 -4.07 116.67 117.38 2dk8 s ASP 61 Ca 0.14 -0.46 -0.21 0.00 -0.52 0.00 0.00 52.55 51.50 2dk8 s ASP 61 Cb -0.10 -1.54 -0.03 0.00 -1.46 0.00 0.00 42.92 39.79 2dk8 s ASP 61 CO 0.05 0.12 0.61 -0.22 0.52 0.00 0.00 175.17 176.24 2dk8 s LEU 62 N 0.62 4.20 -0.27 -1.34 0.20 -1.26 -1.19 118.68 119.65 2dk8 s LEU 62 Ca -0.09 0.89 0.00 0.00 0.69 0.00 0.00 54.13 55.62 2dk8 s LEU 62 Cb -0.16 -2.88 0.08 0.00 -0.43 0.00 0.00 46.19 42.80 2dk8 s LEU 62 CO 0.03 -0.19 0.01 -0.22 -0.29 0.00 0.00 176.35 175.69 2dk8 s LEU 63 N 1.44 2.69 -0.51 -0.68 0.20 0.49 -4.97 118.68 117.35 2dk8 s LEU 63 Ca 0.30 -1.42 -0.28 0.00 0.69 0.00 0.00 54.13 53.41 2dk8 s LEU 63 Cb -0.16 -1.11 0.02 0.00 -0.43 0.00 0.00 46.19 44.51 2dk8 s LEU 63 CO 0.12 -0.31 1.34 -0.13 -0.29 0.00 0.00 176.35 177.07 2dk8 s ARG 64 N 1.42 3.46 -0.08 1.98 3.00 -1.26 0.16 118.95 127.64 2dk8 s ARG 64 Ca 0.02 0.56 -0.03 0.00 0.00 0.00 0.00 55.73 56.27 2dk8 s ARG 64 Cb -0.18 -4.05 0.04 0.00 0.00 0.00 0.00 34.95 30.76 2dk8 s ARG 64 CO -0.12 -1.73 0.16 0.45 0.00 0.00 0.00 175.30 174.07 2dk8 s SER 65 N 3.79 0.15 0.01 0.23 0.15 -1.21 -4.94 113.70 111.89 2dk8 s SER 65 Ca 0.53 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.51 2dk8 s SER 65 Cb -0.10 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2dk8 s SER 65 CO 0.28 -0.18 0.00 -3.20 1.20 0.00 0.00 173.24 171.34 2dk8 n ASN 66 N 4.59 -0.02 0.09 5.45 2.85 -1.26 -4.15 115.26 122.81 2dk8 n ASN 66 Ca -0.19 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.15 2dk8 n ASN 66 Cb 0.51 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.45 2dk8 n ASN 66 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2dk8 h THR 67 N 0.00 0.95 -5.60 -0.44 1.35 -2.02 -3.45 112.91 103.70 2dk8 h THR 67 Ca 0.00 -0.54 -0.44 0.00 -0.55 0.00 0.00 66.41 64.88 2dk8 h THR 67 Cb 0.00 1.28 0.07 0.00 -1.73 0.00 0.00 68.15 67.77 2dk8 h THR 67 CO 0.00 0.12 0.08 0.61 -0.25 0.00 0.00 175.52 176.08 2dk8 n GLY 68 N -0.47 0.88 3.98 5.82 0.00 -1.26 -5.11 105.19 109.03 2dk8 n GLY 68 Ca -0.09 -2.06 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 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 3.98 0.11 0.99 1.43 -1.26 -3.34 118.68 120.59 2dk8 s LEU 69 Ca 0.62 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.71 2dk8 s LEU 69 Cb -0.04 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2dk8 s LEU 69 CO 0.41 -0.42 -0.22 -0.22 0.23 0.00 0.00 176.35 176.13 2dk8 s LEU 70 N -4.20 2.31 -0.09 1.79 0.20 0.42 -4.36 118.68 114.77 2dk8 s LEU 70 Ca 0.44 -0.70 0.01 0.00 0.69 0.00 0.00 54.13 54.56 2dk8 s LEU 70 Cb -0.10 -0.93 0.02 0.00 -0.43 0.00 0.00 46.19 44.76 2dk8 s LEU 70 CO 0.32 0.07 -0.09 -0.31 -0.29 0.00 0.00 176.35 176.05 2dk8 s TYR 71 N -1.19 1.37 0.40 5.38 2.02 0.06 0.19 117.35 125.58 2dk8 s TYR 71 Ca 0.08 -0.58 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 2dk8 s TYR 71 Cb -0.10 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.34 2dk8 s TYR 71 CO 0.05 -0.38 0.14 -0.98 -1.57 0.00 0.00 175.55 172.80 2dk8 s ARG 72 N 1.22 1.90 0.02 -0.62 1.70 -0.33 0.12 118.95 122.96 2dk8 s ARG 72 Ca -0.05 -2.15 -0.30 0.00 -0.47 0.00 0.00 55.73 52.76 2dk8 s ARG 72 Cb -0.14 -0.55 -0.06 0.00 -0.57 0.00 0.00 34.95 33.64 2dk8 s ARG 72 CO -0.03 -0.48 1.33 0.42 -1.08 0.00 0.00 175.30 175.47 2dk8 s ILE 73 N -3.24 3.79 0.04 4.99 -1.09 -1.21 -0.44 121.20 124.04 2dk8 s ILE 73 Ca 0.25 1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 59.58 2dk8 s ILE 73 Cb 0.03 -3.77 -0.08 0.00 -1.58 0.00 0.00 42.46 37.05 2dk8 s ILE 73 CO 0.15 0.03 1.77 -0.75 -1.23 0.00 0.00 174.94 174.91 2dk8 s LYS 74 N 1.95 4.17 -0.28 2.79 2.20 -1.19 -4.73 119.74 124.64 2dk8 s LYS 74 Ca 0.62 2.43 -0.01 0.00 -0.36 0.00 0.00 55.97 58.64 2dk8 s LYS 74 Cb -0.31 -3.84 0.17 0.00 -1.51 0.00 0.00 37.83 32.34 2dk8 s LYS 74 CO 0.27 -0.84 0.49 0.34 -0.36 0.00 0.00 175.35 175.25 2dk8 s ASP 75 N 3.24 -0.61 0.31 1.43 2.15 -1.26 -4.99 116.67 116.94 2dk8 s ASP 75 Ca 0.79 0.47 0.07 0.00 0.43 0.00 0.00 52.55 54.31 2dk8 s ASP 75 Cb -0.40 1.65 -0.06 0.00 -0.30 0.00 0.00 42.92 43.81 2dk8 s ASP 75 CO 0.35 -0.29 -0.05 -0.44 -0.17 0.00 0.00 175.17 174.57 2dk8 s SER 76 N 2.71 3.09 0.41 -0.34 0.01 -1.26 -5.15 113.70 113.17 2dk8 s SER 76 Ca 0.16 -1.23 -0.10 0.00 1.31 0.00 0.00 55.95 56.09 2dk8 s SER 76 Cb -0.15 -0.23 -0.06 0.00 0.21 0.00 0.00 66.02 65.79 2dk8 s SER 76 CO -0.20 -0.34 0.77 -0.83 0.41 0.00 0.00 173.24 173.05 2dk8 s GLY 77 N -3.52 1.91 0.37 3.44 0.00 -1.26 -5.05 107.32 103.21 2dk8 s GLY 77 Ca 0.32 -0.22 -0.25 0.00 0.00 0.00 0.00 44.72 44.56 2dk8 s GLY 77 CO 0.14 -0.03 1.06 2.56 0.00 0.00 0.00 173.10 176.83 2dk8 s PRO 78 N -3.93 4.26 -0.16 2.90 0.04 -1.26 -5.05 135.00 131.81 2dk8 s PRO 78 Ca 0.51 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.11 2dk8 s PRO 78 Cb -0.10 -2.68 0.05 0.00 0.04 0.00 0.00 34.50 31.80 2dk8 s PRO 78 CO 0.33 -0.07 -0.01 -1.12 0.04 0.00 0.00 177.00 176.17 2dk8 s SER 79 N -1.42 2.61 0.05 6.66 0.01 -1.26 -4.89 113.70 115.46 2dk8 s SER 79 Ca 0.55 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2dk8 s SER 79 Cb -0.24 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.28 2dk8 s SER 79 CO 0.30 -0.23 0.00 -0.24 0.41 0.00 0.00 173.24 173.48 2dk8 n SER 80 N 4.99 -0.41 0.00 2.44 2.88 -1.26 -5.34 113.62 116.92 2dk8 n SER 80 Ca -0.10 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2dk8 n SER 80 Cb 0.48 0.74 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 2dk8 n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42