#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 -0.18 0.19 1.61 1.04 -1.26 -5.09 113.70 110.00 2dk8 s SER 2 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2dk8 s SER 2 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2dk8 s SER 2 CO 0.00 -0.38 0.00 -1.20 0.98 0.00 0.00 173.24 172.64 2dk8 n SER 3 N -0.21 0.17 0.00 7.02 7.64 -1.26 -5.09 113.62 121.89 2dk8 n SER 3 Ca -0.04 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2dk8 n SER 3 Cb 0.60 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 2dk8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk8 n GLY 4 N 2.10 -0.32 3.90 0.23 0.00 -1.26 -5.16 105.19 104.67 2dk8 n GLY 4 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2dk8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk8 s SER 5 N 0.00 6.36 -0.24 1.61 0.01 -1.26 -5.01 113.70 115.16 2dk8 s SER 5 Ca 0.00 0.36 -0.37 0.00 1.31 0.00 0.00 55.95 57.25 2dk8 s SER 5 Cb 0.00 -2.01 -0.14 0.00 0.21 0.00 0.00 66.02 64.09 2dk8 s SER 5 CO 0.00 0.29 1.88 -1.20 0.41 0.00 0.00 173.24 174.62 2dk8 n SER 6 N 1.14 2.65 0.00 2.44 7.64 -1.26 -4.02 113.62 122.21 2dk8 n SER 6 Ca -0.13 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.66 2dk8 n SER 6 Cb 0.53 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2dk8 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk8 n GLY 7 N 4.78 -1.36 2.58 0.23 0.00 -1.26 -5.00 105.19 105.16 2dk8 n GLY 7 Ca 0.29 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.45 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 2.64 -3.47 1.61 -0.04 -1.26 -4.70 135.00 129.79 2dk8 n PRO 8 Ca 0.00 -1.87 -0.17 0.00 -0.04 0.00 0.00 63.50 61.42 2dk8 n PRO 8 Cb 0.00 -2.71 -0.12 0.00 -0.04 0.00 0.00 33.50 30.63 2dk8 n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dk8 s ASP 9 N 3.16 1.32 -0.60 3.54 1.01 -1.26 -5.04 116.67 118.80 2dk8 s ASP 9 Ca 0.52 -0.24 -0.35 0.00 0.71 0.00 0.00 52.55 53.20 2dk8 s ASP 9 Cb 0.14 0.46 -0.16 0.00 1.01 0.00 0.00 42.92 44.37 2dk8 s ASP 9 CO -0.03 -0.33 2.36 0.00 0.21 0.00 0.00 175.17 177.38 2dk8 n ALA 10 N 5.32 0.61 -1.26 5.23 0.00 -1.26 -4.79 120.51 124.36 2dk8 n ALA 10 Ca -0.05 -0.20 -0.39 0.00 0.00 0.00 0.00 53.44 52.80 2dk8 n ALA 10 Cb 0.49 -2.46 0.01 0.00 0.00 0.00 0.00 19.45 17.50 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 10.41 -3.57 0.10 0.00 2.03 -1.26 -4.83 116.55 119.44 2dk8 n ASP 11 Ca 0.51 0.66 -0.05 0.00 0.52 0.00 0.00 54.79 56.43 2dk8 n ASP 11 Cb 0.16 -0.86 -0.02 0.00 -0.72 0.00 0.00 41.12 39.67 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 -0.01 -0.32 -0.97 -0.67 0.13 -2.00 -2.96 132.00 125.21 2dk8 h PRO 12 Ca -0.41 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.90 2dk8 h PRO 12 Cb 1.45 0.07 -0.16 0.00 0.13 0.00 0.00 31.00 32.49 2dk8 h PRO 12 CO 0.42 -0.21 -0.34 1.55 -0.23 0.00 0.00 178.00 179.18 2dk8 n VAL 13 N -4.91 -0.48 0.05 1.56 3.14 -1.26 0.28 118.33 116.70 2dk8 n VAL 13 Ca -0.04 2.26 -0.13 0.00 -2.96 0.00 0.00 64.34 63.47 2dk8 n VAL 13 Cb 0.13 -3.02 -0.06 0.00 -1.06 0.00 0.00 33.84 29.83 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 -0.52 -0.39 1.45 4.39 -1.94 0.97 114.58 118.54 2dk8 h GLU 14 Ca 0.37 0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.19 2dk8 h GLU 14 Cb 0.61 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.30 2dk8 h GLU 14 CO -0.97 -0.35 -0.13 0.82 -1.16 0.00 0.00 179.01 177.22 2dk8 h ILE 15 N -0.54 0.55 0.46 3.13 2.04 0.01 0.24 117.51 123.39 2dk8 h ILE 15 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 2dk8 h ILE 15 Cb 0.64 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2dk8 h ILE 15 CO -0.33 0.00 -0.29 -0.33 0.00 0.00 0.00 178.15 177.20 2dk8 h GLU 16 N -0.04 -0.68 -0.95 2.37 5.08 0.73 -2.55 114.58 118.54 2dk8 h GLU 16 Ca 0.19 0.05 0.27 0.00 -1.00 0.00 0.00 59.36 58.87 2dk8 h GLU 16 Cb 0.33 0.15 -0.17 0.00 0.50 0.00 0.00 28.75 29.57 2dk8 h GLU 16 CO -0.42 -0.45 0.13 -0.91 -1.00 0.00 0.00 179.01 176.35 2dk8 h ASN 17 N -0.71 -0.27 -0.63 1.42 2.35 0.13 0.51 115.58 118.38 2dk8 h ASN 17 Ca -0.06 0.25 0.11 0.00 -0.55 0.00 0.00 56.30 56.05 2dk8 h ASN 17 Cb 0.57 0.40 -0.12 0.00 0.05 0.00 0.00 38.32 39.22 2dk8 h ASN 17 CO 0.06 -0.30 -0.35 0.03 -1.65 0.00 0.00 177.43 175.22 2dk8 h ARG 18 N 0.06 -0.14 -0.08 0.81 2.47 -0.12 0.13 114.38 117.51 2dk8 h ARG 18 Ca 0.60 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 59.36 2dk8 h ARG 18 Cb 1.27 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.59 2dk8 h ARG 18 CO -0.82 -0.10 -0.14 0.82 0.56 0.00 0.00 179.97 180.29 2dk8 h ILE 19 N -0.15 0.63 -0.86 2.04 2.04 0.25 -0.91 117.51 120.54 2dk8 h ILE 19 Ca 0.24 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.32 2dk8 h ILE 19 Cb 0.56 0.63 -0.14 0.00 -0.74 0.00 0.00 36.82 37.12 2dk8 h ILE 19 CO -0.71 0.00 0.15 0.40 0.00 0.00 0.00 178.15 177.99 2dk8 h ILE 20 N -0.20 0.28 -0.68 -0.67 5.03 -0.25 1.73 117.51 122.74 2dk8 h ILE 20 Ca 0.07 -0.05 -0.02 0.00 -0.12 0.00 0.00 64.86 64.75 2dk8 h ILE 20 Cb 0.30 0.12 -0.03 0.00 -3.03 0.00 0.00 36.82 34.18 2dk8 h ILE 20 CO -0.20 0.03 0.36 -0.33 -0.68 0.00 0.00 178.15 177.34 2dk8 h GLU 21 N 0.15 0.96 0.29 2.37 4.39 0.31 -0.87 114.58 122.19 2dk8 h GLU 21 Ca 0.52 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 2dk8 h GLU 21 Cb 1.03 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2dk8 h GLU 21 CO -0.69 0.73 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.68 2dk8 h LEU 22 N 0.94 -0.33 -1.98 1.33 3.38 0.18 -1.99 115.31 116.84 2dk8 h LEU 22 Ca 0.24 -0.20 0.37 0.00 0.09 0.00 0.00 57.88 58.38 2dk8 h LEU 22 Cb 0.06 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2dk8 h LEU 22 CO -0.04 0.10 0.94 0.00 0.09 0.00 0.00 178.44 179.53 2dk8 h HIS 24 N 0.00 0.77 -0.69 0.00 3.86 -0.87 -3.22 115.15 115.00 2dk8 h HIS 24 Ca 0.61 -0.33 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 2dk8 h HIS 24 Cb 2.48 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 30.80 2dk8 h HIS 24 CO 0.00 1.12 0.25 1.96 0.86 0.00 0.00 177.93 182.12 2dk8 h GLN 25 N 0.20 1.05 -4.52 2.45 1.08 0.28 -3.38 115.11 112.27 2dk8 h GLN 25 Ca -0.03 -0.21 -0.70 0.00 -1.45 0.00 0.00 58.65 56.25 2dk8 h GLN 25 Cb 1.18 -0.16 -0.30 0.00 -0.05 0.00 0.00 27.48 28.14 2dk8 h GLN 25 CO 0.11 0.89 -0.53 -0.06 -0.95 0.00 0.00 178.83 178.29 2dk8 s PHE 26 N -5.49 3.38 -0.52 2.96 0.40 0.64 -4.92 117.98 114.42 2dk8 s PHE 26 Ca -0.12 -1.79 0.26 0.00 -0.60 0.00 0.00 56.93 54.67 2dk8 s PHE 26 Cb 0.14 -2.86 0.89 0.00 0.51 0.00 0.00 43.02 41.70 2dk8 s PHE 26 CO 0.82 -0.87 1.76 -1.00 0.70 0.00 0.00 175.22 176.63 2dk8 h PRO 27 N 8.25 0.00 0.06 0.24 0.13 -1.75 -2.97 132.00 135.97 2dk8 h PRO 27 Ca -0.20 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.63 2dk8 h PRO 27 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2dk8 h PRO 27 CO 0.70 0.00 -1.59 0.45 -0.23 0.00 0.00 178.00 177.34 2dk8 h HIS 28 N 0.00 0.24 0.00 1.56 3.86 -1.91 -3.43 115.15 115.47 2dk8 h HIS 28 Ca 0.00 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2dk8 h HIS 28 Cb 0.59 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2dk8 h HIS 28 CO 0.00 1.26 0.00 0.41 0.86 0.00 0.00 177.93 180.46 2dk8 n GLY 29 N 1.63 1.44 3.16 2.45 0.00 -1.12 -4.66 105.19 108.08 2dk8 n GLY 29 Ca -0.17 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.23 0.64 0.01 -0.61 -4.36 0.51 -4.81 121.20 111.35 2dk8 s ILE 30 Ca 0.00 -1.91 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 2dk8 s ILE 30 Cb 0.00 -1.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 2dk8 s ILE 30 CO 0.00 -0.88 -0.07 0.42 0.24 0.00 0.00 174.94 174.65 2dk8 s THR 31 N -3.62 3.60 0.52 8.37 -4.23 -1.26 -0.13 115.64 118.89 2dk8 s THR 31 Ca 0.11 -0.82 0.45 0.00 -1.18 0.00 0.00 61.69 60.25 2dk8 s THR 31 Cb 0.05 -2.57 0.67 0.00 1.34 0.00 0.00 72.50 71.99 2dk8 s THR 31 CO -0.05 0.37 1.57 -0.78 -0.54 0.00 0.00 174.62 175.19 2dk8 h ASP 32 N 4.46 0.06 0.16 3.99 1.82 -1.99 1.43 116.42 126.36 2dk8 h ASP 32 Ca -0.48 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.20 2dk8 h ASP 32 Cb 1.17 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.23 2dk8 h ASP 32 CO 0.53 -0.08 -0.08 1.56 -1.61 0.00 0.00 179.24 179.56 2dk8 h GLN 33 N 0.00 -0.21 0.03 0.28 4.20 -1.96 -1.00 115.11 116.45 2dk8 h GLN 33 Ca 0.93 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.66 2dk8 h GLN 33 Cb 3.50 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 31.31 2dk8 h GLN 33 CO -0.16 -0.13 -0.18 0.28 -0.67 0.00 0.00 178.83 177.97 2dk8 h VAL 34 N -0.22 0.00 -0.69 -0.54 2.07 0.16 0.37 116.25 117.39 2dk8 h VAL 34 Ca -0.02 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.70 2dk8 h VAL 34 Cb 0.17 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 2dk8 h VAL 34 CO 0.04 0.00 0.80 0.40 0.02 0.00 0.00 177.57 178.83 2dk8 h ILE 35 N -0.25 0.19 0.14 4.57 2.04 -1.50 0.60 117.51 123.30 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 0.25 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2dk8 h ILE 35 CO -0.10 0.00 -0.07 -0.61 0.00 0.00 0.00 178.15 177.37 2dk8 h GLN 36 N 0.00 -0.19 0.00 2.37 4.15 0.10 1.58 115.11 123.12 2dk8 h GLN 36 Ca 0.33 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.74 2dk8 h GLN 36 Cb 1.92 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 29.65 2dk8 h GLN 36 CO -0.00 0.24 -0.09 -0.97 -1.93 0.00 0.00 178.83 176.08 2dk8 h ASN 37 N -0.70 0.00 0.00 -0.69 -0.73 0.22 0.37 115.58 114.05 2dk8 h ASN 37 Ca -0.02 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.05 2dk8 h ASN 37 Cb 0.51 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 2dk8 h ASN 37 CO 0.03 0.09 -0.59 -0.33 -0.37 0.00 0.00 177.43 176.26 2dk8 h GLU 38 N 0.00 0.00 -2.07 6.67 4.39 -0.14 -3.42 114.58 120.01 2dk8 h GLU 38 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2dk8 h GLU 38 Cb 0.54 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.79 2dk8 h GLU 38 CO 0.01 0.80 -0.93 -1.33 -1.16 0.00 0.00 179.01 176.40 2dk8 n MET 39 N -4.55 1.40 0.14 2.33 2.81 0.54 -4.89 117.12 114.90 2dk8 n MET 39 Ca -0.18 -3.76 0.13 0.00 -1.81 0.00 0.00 57.70 52.08 2dk8 n MET 39 Cb 0.50 -1.61 0.45 0.00 -0.71 0.00 0.00 33.22 31.84 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 3.97 0.00 0.00 0.03 0.13 -0.35 -2.66 132.00 133.12 2dk8 h PRO 40 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2dk8 h PRO 40 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2dk8 h PRO 40 CO 0.60 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.98 2dk8 n HIS 41 N -2.40 0.00 -2.51 1.56 1.44 -1.26 -4.77 115.22 107.29 2dk8 n HIS 41 Ca 0.04 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.42 2dk8 n HIS 41 Cb 0.34 -0.19 -0.04 0.00 0.12 0.00 0.00 29.99 30.23 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 -2.38 4.27 0.67 0.61 -1.09 -1.00 -5.04 121.20 117.24 2dk8 s ILE 42 Ca 0.25 1.24 -0.08 0.00 -2.23 0.00 0.00 60.65 59.83 2dk8 s ILE 42 Cb 0.15 -3.59 0.03 0.00 -1.58 0.00 0.00 42.46 37.47 2dk8 s ILE 42 CO 0.31 -0.48 1.00 -1.61 -1.23 0.00 0.00 174.94 172.94 2dk8 s GLU 43 N -3.66 2.62 0.04 2.79 0.41 -1.26 -4.84 118.70 114.80 2dk8 s GLU 43 Ca 0.62 0.04 -0.24 0.00 -0.41 0.00 0.00 54.97 54.98 2dk8 s GLU 43 Cb -0.11 -2.16 -0.17 0.00 -1.78 0.00 0.00 34.13 29.90 2dk8 s GLU 43 CO 0.24 -1.00 1.52 0.00 -0.49 0.00 0.00 175.26 175.52 2dk8 h ALA 44 N -0.48 -0.02 -0.19 5.21 0.00 -1.97 0.37 119.26 122.18 2dk8 h ALA 44 Ca -0.45 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 2dk8 h ALA 44 Cb 1.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2dk8 h ALA 44 CO 0.62 -0.40 -0.42 1.96 0.00 0.00 0.00 179.25 181.00 2dk8 h GLN 45 N -0.25 0.44 0.48 0.00 4.20 -1.98 -2.56 115.11 115.45 2dk8 h GLN 45 Ca -0.00 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 2dk8 h GLN 45 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2dk8 h GLN 45 CO 0.00 0.79 -0.23 1.96 -0.67 0.00 0.00 178.83 180.68 2dk8 h GLN 46 N 0.36 -0.63 -0.82 1.46 4.20 -1.90 1.06 115.11 118.85 2dk8 h GLN 46 Ca 0.03 0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.96 2dk8 h GLN 46 Cb 0.90 0.14 -0.11 0.00 0.30 0.00 0.00 27.48 28.71 2dk8 h GLN 46 CO 0.08 -0.32 0.34 0.00 -0.67 0.00 0.00 178.83 178.25 2dk8 h ARG 47 N -0.92 0.42 0.14 1.46 3.08 -0.28 0.16 114.38 118.44 2dk8 h ARG 47 Ca -0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2dk8 h ARG 47 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2dk8 h ARG 47 CO 0.11 0.28 -0.07 0.00 -1.07 0.00 0.00 179.97 179.22 2dk8 h ALA 48 N 1.62 -0.19 -0.18 0.04 0.00 -1.36 -2.67 119.26 116.52 2dk8 h ALA 48 Ca 0.48 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2dk8 h ALA 48 Cb 0.80 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2dk8 h ALA 48 CO -0.46 -0.31 -0.11 0.28 0.00 0.00 0.00 179.25 178.64 2dk8 h VAL 49 N -0.77 0.00 -0.78 0.00 2.07 0.22 1.72 116.25 118.70 2dk8 h VAL 49 Ca -0.02 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.68 2dk8 h VAL 49 Cb 0.54 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.16 2dk8 h VAL 49 CO 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.56 2dk8 h ALA 50 N -0.74 0.73 0.47 1.67 0.00 -1.12 0.74 119.26 121.01 2dk8 h ALA 50 Ca 0.03 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2dk8 h ALA 50 Cb 0.08 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2dk8 h ALA 50 CO -0.18 -0.43 -0.35 0.82 0.00 0.00 0.00 179.25 179.11 2dk8 h ILE 51 N 0.06 0.00 -0.70 0.00 2.04 0.19 0.34 117.51 119.43 2dk8 h ILE 51 Ca 0.42 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.42 2dk8 h ILE 51 Cb 0.72 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.67 2dk8 h ILE 51 CO -0.74 0.00 -0.13 -1.13 0.00 0.00 0.00 178.15 176.15 2dk8 h ASN 52 N -0.79 -0.57 0.23 1.72 -0.73 0.38 0.92 115.58 116.75 2dk8 h ASN 52 Ca -0.06 0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.31 2dk8 h ASN 52 Cb 0.65 0.41 -0.02 0.00 0.27 0.00 0.00 38.32 39.63 2dk8 h ASN 52 CO 0.02 -0.22 -0.29 0.03 -0.37 0.00 0.00 177.43 176.60 2dk8 h ARG 53 N 0.02 -0.51 -0.83 6.67 -0.00 0.81 0.15 114.38 120.69 2dk8 h ARG 53 Ca 0.35 0.03 0.17 0.00 -0.50 0.00 0.00 59.98 60.03 2dk8 h ARG 53 Cb 0.55 0.12 -0.11 0.00 0.00 0.00 0.00 29.97 30.53 2dk8 h ARG 53 CO -0.70 -0.34 0.35 -0.07 0.00 0.00 0.00 179.97 179.22 2dk8 h LEU 54 N -0.53 0.33 0.12 3.04 3.38 0.66 1.44 115.31 123.76 2dk8 h LEU 54 Ca -0.03 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2dk8 h LEU 54 Cb 0.48 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2dk8 h LEU 54 CO -0.07 0.08 -0.46 -0.07 0.09 0.00 0.00 178.44 178.01 2dk8 h LEU 55 N 0.46 -1.38 0.51 1.67 3.38 0.15 -0.21 115.31 119.89 2dk8 h LEU 55 Ca 0.48 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.57 2dk8 h LEU 55 Cb 0.79 0.51 0.01 0.00 0.09 0.00 0.00 40.66 42.06 2dk8 h LEU 55 CO -0.45 -0.52 -0.25 -1.28 0.09 0.00 0.00 178.44 176.03 2dk8 h SER 56 N -0.70 -0.58 -1.46 -0.43 0.87 0.81 -2.86 113.55 109.20 2dk8 h SER 56 Ca 0.01 -0.06 0.46 0.00 -1.23 0.00 0.00 61.79 60.96 2dk8 h SER 56 Cb 0.72 0.15 -0.10 0.00 -0.44 0.00 0.00 62.40 62.73 2dk8 h SER 56 CO -0.26 -0.24 1.00 0.23 -0.53 0.00 0.00 176.83 177.03 2dk8 n MET 57 N -5.29 -0.02 -0.27 2.24 2.81 0.48 -4.68 117.12 112.39 2dk8 n MET 57 Ca -0.11 1.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 2dk8 n MET 57 Cb 0.32 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 30.67 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 -1.62 0.85 0.12 3.03 0.00 -0.22 -4.96 105.19 102.39 2dk8 n GLY 58 Ca 0.37 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.27 0.72 -4.14 1.61 1.13 -0.44 -4.71 117.38 109.27 2dk8 n GLN 59 Ca 0.00 0.26 -0.28 0.00 -1.94 0.00 0.00 57.00 55.04 2dk8 n GLN 59 Cb 0.00 -1.71 -0.07 0.00 0.11 0.00 0.00 30.24 28.56 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 -6.71 3.50 -0.08 1.08 2.96 -0.73 -2.57 118.68 116.13 2dk8 s LEU 60 Ca -0.18 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2dk8 s LEU 60 Cb 0.07 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2dk8 s LEU 60 CO 0.78 0.12 -0.21 -0.62 -1.32 0.00 0.00 176.35 175.10 2dk8 s ASP 61 N -2.70 2.75 0.02 3.68 -1.08 0.38 -4.19 116.67 115.53 2dk8 s ASP 61 Ca 0.28 -0.48 -0.15 0.00 -0.52 0.00 0.00 52.55 51.68 2dk8 s ASP 61 Cb -0.11 -1.14 -0.06 0.00 -1.46 0.00 0.00 42.92 40.15 2dk8 s ASP 61 CO 0.20 0.15 0.42 -0.22 0.52 0.00 0.00 175.17 176.24 2dk8 s LEU 62 N 0.30 4.47 -0.22 -1.34 0.20 -1.26 -1.25 118.68 119.58 2dk8 s LEU 62 Ca -0.15 0.98 -0.04 0.00 0.69 0.00 0.00 54.13 55.61 2dk8 s LEU 62 Cb -0.16 -2.66 0.08 0.00 -0.43 0.00 0.00 46.19 43.02 2dk8 s LEU 62 CO 0.07 0.30 0.12 -0.76 -0.29 0.00 0.00 176.35 175.79 2dk8 s LEU 63 N -1.17 0.38 -0.50 -0.68 1.43 0.23 -4.95 118.68 113.41 2dk8 s LEU 63 Ca 0.25 -0.86 -0.28 0.00 -1.03 0.00 0.00 54.13 52.21 2dk8 s LEU 63 Cb -0.17 -0.23 0.01 0.00 0.03 0.00 0.00 46.19 45.83 2dk8 s LEU 63 CO 0.14 -0.38 1.43 -0.60 0.23 0.00 0.00 176.35 177.17 2dk8 s ARG 64 N 2.14 3.39 0.52 1.70 3.52 -1.26 0.21 118.95 129.17 2dk8 s ARG 64 Ca 0.05 0.65 0.02 0.00 -0.13 0.00 0.00 55.73 56.32 2dk8 s ARG 64 Cb -0.16 -4.09 0.03 0.00 -1.56 0.00 0.00 34.95 29.17 2dk8 s ARG 64 CO -0.21 -1.82 0.74 0.45 -0.81 0.00 0.00 175.30 173.66 2dk8 s SER 65 N 4.35 5.37 0.04 -2.12 0.15 0.13 -4.94 113.70 116.68 2dk8 s SER 65 Ca 0.56 -0.05 -0.10 0.00 0.70 0.00 0.00 55.95 57.07 2dk8 s SER 65 Cb -0.12 -0.90 -0.03 0.00 -1.71 0.00 0.00 66.02 63.27 2dk8 s SER 65 CO 0.28 -1.05 1.16 -1.13 1.20 0.00 0.00 173.24 173.70 2dk8 h ASN 66 N 0.18 -0.59 0.00 5.45 -0.73 -1.99 -3.29 115.58 114.61 2dk8 h ASN 66 Ca -0.42 0.08 0.00 0.00 1.87 0.00 0.00 56.30 57.83 2dk8 h ASN 66 Cb 1.29 0.25 0.00 0.00 0.27 0.00 0.00 38.32 40.13 2dk8 h ASN 66 CO 0.52 -0.11 0.00 0.41 -0.37 0.00 0.00 177.43 177.88 2dk8 n THR 67 N -3.56 0.00 0.00 -3.57 -1.04 -1.26 -4.97 114.28 99.88 2dk8 n THR 67 Ca -0.01 0.58 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 2dk8 n THR 67 Cb 0.10 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 2dk8 n THR 67 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dk8 n GLY 68 N -0.10 4.35 3.74 3.41 0.00 -1.24 -5.16 105.19 110.19 2dk8 n GLY 68 Ca 0.00 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 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 3.29 0.08 0.99 1.43 -1.26 0.22 118.68 123.43 2dk8 s LEU 69 Ca 0.00 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 2dk8 s LEU 69 Cb 0.00 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2dk8 s LEU 69 CO 0.00 -0.29 -0.10 -0.22 0.23 0.00 0.00 176.35 175.97 2dk8 s LEU 70 N -3.85 2.36 -0.10 1.79 0.20 0.57 -4.55 118.68 115.09 2dk8 s LEU 70 Ca 0.38 -0.73 -0.00 0.00 0.69 0.00 0.00 54.13 54.46 2dk8 s LEU 70 Cb -0.03 -0.27 0.02 0.00 -0.43 0.00 0.00 46.19 45.49 2dk8 s LEU 70 CO 0.23 -0.24 -0.06 -0.31 -0.29 0.00 0.00 176.35 175.68 2dk8 s TYR 71 N -2.11 1.26 0.40 5.38 2.02 0.81 0.78 117.35 125.90 2dk8 s TYR 71 Ca 0.01 -0.58 0.04 0.00 -0.37 0.00 0.00 57.07 56.17 2dk8 s TYR 71 Cb -0.05 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.38 2dk8 s TYR 71 CO -0.00 -0.45 0.12 -0.98 -1.57 0.00 0.00 175.55 172.67 2dk8 s ARG 72 N 1.71 1.91 0.03 -0.62 1.70 -0.38 0.19 118.95 123.50 2dk8 s ARG 72 Ca 0.04 -2.16 -0.30 0.00 -0.47 0.00 0.00 55.73 52.83 2dk8 s ARG 72 Cb -0.13 -0.67 -0.06 0.00 -0.57 0.00 0.00 34.95 33.53 2dk8 s ARG 72 CO -0.07 -0.45 1.30 0.42 -1.08 0.00 0.00 175.30 175.42 2dk8 s ILE 73 N -3.21 3.82 0.09 4.99 -1.09 -1.25 -0.47 121.20 124.08 2dk8 s ILE 73 Ca 0.24 1.26 -0.31 0.00 -2.23 0.00 0.00 60.65 59.61 2dk8 s ILE 73 Cb 0.03 -3.81 -0.08 0.00 -1.58 0.00 0.00 42.46 37.02 2dk8 s ILE 73 CO 0.14 0.05 1.59 -0.75 -1.23 0.00 0.00 174.94 174.75 2dk8 s LYS 74 N 1.68 4.22 -0.28 2.79 2.20 -1.06 -4.74 119.74 124.55 2dk8 s LYS 74 Ca 0.61 2.29 -0.20 0.00 -0.36 0.00 0.00 55.97 58.31 2dk8 s LYS 74 Cb -0.31 -3.47 0.09 0.00 -1.51 0.00 0.00 37.83 32.63 2dk8 s LYS 74 CO 0.27 -0.67 0.75 0.34 -0.36 0.00 0.00 175.35 175.68 2dk8 s ASP 75 N 1.99 -0.80 0.91 1.43 2.15 -1.26 -4.98 116.67 116.10 2dk8 s ASP 75 Ca 0.72 1.39 -0.12 0.00 0.43 0.00 0.00 52.55 54.97 2dk8 s ASP 75 Cb -0.40 1.37 0.13 0.00 -0.30 0.00 0.00 42.92 43.72 2dk8 s ASP 75 CO 0.31 -0.23 1.09 -0.55 -0.17 0.00 0.00 175.17 175.63 2dk8 s SER 76 N 1.06 3.39 0.00 -0.34 0.15 -1.26 -5.03 113.70 111.67 2dk8 s SER 76 Ca -0.05 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2dk8 s SER 76 Cb -0.05 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2dk8 s SER 76 CO -0.11 -2.69 0.10 0.61 1.20 0.00 0.00 173.24 172.35 2dk8 n GLY 77 N -1.15 -1.76 3.81 9.45 0.00 -1.26 -4.84 105.19 109.44 2dk8 n GLY 77 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2dk8 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk8 s PRO 78 N -0.20 3.48 -0.10 1.61 0.04 -1.26 -5.04 135.00 133.53 2dk8 s PRO 78 Ca 0.00 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 2dk8 s PRO 78 Cb 0.00 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2dk8 s PRO 78 CO 0.00 -0.68 0.25 -1.12 0.04 0.00 0.00 177.00 175.49 2dk8 s SER 79 N -2.67 6.50 0.01 6.66 0.01 -1.26 -4.99 113.70 117.97 2dk8 s SER 79 Ca 0.64 0.60 -0.05 0.00 1.31 0.00 0.00 55.95 58.44 2dk8 s SER 79 Cb -0.15 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 2dk8 s SER 79 CO 0.33 0.30 -0.11 -1.20 0.41 0.00 0.00 173.24 172.98 2dk8 n SER 80 N 2.39 1.35 0.00 2.44 7.64 -1.26 -5.25 113.62 120.93 2dk8 n SER 80 Ca -0.16 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2dk8 n SER 80 Cb 0.53 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2dk8 n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64