#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 7.07 -0.16 1.61 0.15 -1.26 -4.94 113.70 116.18 2dk8 s SER 2 Ca 0.00 2.01 -0.16 0.00 0.70 0.00 0.00 55.95 58.49 2dk8 s SER 2 Cb 0.00 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 2dk8 s SER 2 CO 0.00 -0.48 -0.32 -1.20 1.20 0.00 0.00 173.24 172.44 2dk8 n SER 3 N 4.01 1.85 -1.13 5.45 7.64 -1.26 -5.11 113.62 125.07 2dk8 n SER 3 Ca 0.09 0.31 0.12 0.00 1.01 0.00 0.00 58.87 60.40 2dk8 n SER 3 Cb 0.46 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 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 1.59 -1.70 3.81 0.23 0.00 -1.26 -4.79 105.19 103.08 2dk8 n GLY 4 Ca -0.13 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 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 -5.71 7.08 0.00 1.61 0.01 -1.26 -5.05 113.70 110.39 2dk8 s SER 5 Ca 0.00 1.53 -0.29 0.00 1.31 0.00 0.00 55.95 58.50 2dk8 s SER 5 Cb 0.00 -2.46 0.10 0.00 0.21 0.00 0.00 66.02 63.87 2dk8 s SER 5 CO 0.00 -0.05 1.06 -0.94 0.41 0.00 0.00 173.24 173.72 2dk8 s SER 6 N -1.76 -0.19 0.00 2.44 1.04 -1.26 -5.08 113.70 108.88 2dk8 s SER 6 Ca 0.48 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2dk8 s SER 6 Cb -0.16 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2dk8 s SER 6 CO 0.21 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2dk8 n GLY 7 N -0.34 1.48 0.00 7.32 0.00 -1.26 -5.09 105.19 107.30 2dk8 n GLY 7 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.05 -2.68 1.61 -0.04 -1.26 -5.07 135.00 128.61 2dk8 n PRO 8 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2dk8 n PRO 8 Cb 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.53 2dk8 n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dk8 n ASP 9 N 0.00 -1.52 -0.19 3.54 -0.08 -1.26 -4.96 116.55 112.09 2dk8 n ASP 9 Ca 0.00 -2.23 0.02 0.00 -1.51 0.00 0.00 54.79 51.07 2dk8 n ASP 9 Cb 0.00 1.22 0.03 0.00 2.34 0.00 0.00 41.12 44.71 2dk8 n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dk8 n ALA 10 N -0.06 2.40 -1.59 -1.67 0.00 -1.26 -5.11 120.51 113.22 2dk8 n ALA 10 Ca -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2dk8 n ALA 10 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 0.16 -8.56 0.09 0.00 2.03 -1.26 -4.14 116.55 104.87 2dk8 n ASP 11 Ca 0.03 1.76 -0.05 0.00 0.52 0.00 0.00 54.79 57.05 2dk8 n ASP 11 Cb 0.15 -5.07 -0.02 0.00 -0.72 0.00 0.00 41.12 35.46 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 0.48 -0.30 -0.96 -0.67 0.13 -1.99 -2.98 132.00 125.71 2dk8 h PRO 12 Ca 0.00 0.02 0.15 0.00 -0.87 0.00 0.00 66.00 65.30 2dk8 h PRO 12 Cb 0.77 0.07 -0.16 0.00 0.13 0.00 0.00 31.00 31.81 2dk8 h PRO 12 CO 0.00 -0.20 -0.38 -0.24 -0.23 0.00 0.00 178.00 176.95 2dk8 h VAL 13 N -0.99 0.02 -0.40 1.56 3.04 -1.98 0.76 116.25 118.26 2dk8 h VAL 13 Ca -0.03 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.74 2dk8 h VAL 13 Cb 0.24 0.02 -0.09 0.00 -2.01 0.00 0.00 31.29 29.45 2dk8 h VAL 13 CO 0.05 0.00 -0.23 -0.33 -1.01 0.00 0.00 177.57 176.05 2dk8 h GLU 14 N -0.01 -0.16 0.76 4.17 5.08 -1.78 1.41 114.58 124.04 2dk8 h GLU 14 Ca 0.34 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2dk8 h GLU 14 Cb 0.60 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2dk8 h GLU 14 CO -0.97 -0.11 -0.42 0.82 -1.00 0.00 0.00 179.01 177.34 2dk8 h ILE 15 N -0.16 0.15 0.09 3.13 2.04 0.30 -0.86 117.51 122.20 2dk8 h ILE 15 Ca 0.19 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.06 2dk8 h ILE 15 Cb 0.46 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2dk8 h ILE 15 CO -0.49 0.00 -0.43 -0.33 0.00 0.00 0.00 178.15 176.89 2dk8 h GLU 16 N -1.09 -0.59 -0.98 2.37 5.08 0.85 -1.89 114.58 118.33 2dk8 h GLU 16 Ca -0.10 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.43 2dk8 h GLU 16 Cb 0.86 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 30.10 2dk8 h GLU 16 CO 0.13 -0.39 -0.46 -0.91 -1.00 0.00 0.00 179.01 176.38 2dk8 h ASN 17 N -0.61 -1.69 -0.93 1.42 2.35 0.19 1.44 115.58 117.75 2dk8 h ASN 17 Ca -0.00 0.32 0.26 0.00 -0.55 0.00 0.00 56.30 56.32 2dk8 h ASN 17 Cb 0.62 0.82 -0.14 0.00 0.05 0.00 0.00 38.32 39.67 2dk8 h ASN 17 CO -0.24 -0.27 0.37 0.03 -1.65 0.00 0.00 177.43 175.68 2dk8 h ARG 18 N -0.01 0.27 -0.41 0.81 2.47 -0.47 0.79 114.38 117.83 2dk8 h ARG 18 Ca 0.28 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.90 2dk8 h ARG 18 Cb 0.53 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2dk8 h ARG 18 CO -0.96 0.18 -0.07 0.82 0.56 0.00 0.00 179.97 180.50 2dk8 h ILE 19 N 0.28 1.27 -0.63 2.04 2.04 0.26 -2.17 117.51 120.59 2dk8 h ILE 19 Ca 0.62 -1.15 0.10 0.00 1.00 0.00 0.00 64.86 65.43 2dk8 h ILE 19 Cb 1.31 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 2dk8 h ILE 19 CO -0.62 0.39 0.25 0.40 0.00 0.00 0.00 178.15 178.56 2dk8 h ILE 20 N 0.59 0.78 -0.13 -0.67 1.08 0.34 1.37 117.51 120.87 2dk8 h ILE 20 Ca 0.11 -0.15 -0.04 0.00 -0.39 0.00 0.00 64.86 64.38 2dk8 h ILE 20 Cb 0.59 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 2dk8 h ILE 20 CO 0.04 0.08 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.13 2dk8 h GLU 21 N 0.44 0.19 0.01 2.37 5.08 -0.68 -1.23 114.58 120.76 2dk8 h GLU 21 Ca 0.32 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2dk8 h GLU 21 Cb 0.39 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2dk8 h GLU 21 CO -0.31 0.32 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.83 2dk8 h LEU 22 N 0.19 0.10 -0.71 1.33 3.38 0.06 -1.32 115.31 118.33 2dk8 h LEU 22 Ca 0.04 -0.84 0.15 0.00 0.09 0.00 0.00 57.88 57.32 2dk8 h LEU 22 Cb 0.33 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 2dk8 h LEU 22 CO 0.02 0.94 0.16 0.00 0.09 0.00 0.00 178.44 179.65 2dk8 h HIS 24 N 0.26 0.73 -0.81 0.00 3.86 -1.28 -2.69 115.15 115.22 2dk8 h HIS 24 Ca 0.40 -0.13 0.11 0.00 -1.16 0.00 0.00 60.37 59.59 2dk8 h HIS 24 Cb 0.66 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.88 2dk8 h HIS 24 CO -0.27 0.77 0.53 1.96 0.86 0.00 0.00 177.93 181.79 2dk8 h GLN 25 N 0.48 0.66 -4.69 2.45 7.50 0.58 -3.34 115.11 118.75 2dk8 h GLN 25 Ca 0.10 -0.04 -0.68 0.00 0.50 0.00 0.00 58.65 58.54 2dk8 h GLN 25 Cb 0.49 -0.15 -0.36 0.00 0.05 0.00 0.00 27.48 27.51 2dk8 h GLN 25 CO 0.02 0.44 -0.68 -0.06 -1.50 0.00 0.00 178.83 177.05 2dk8 s PHE 26 N -5.64 3.49 -1.19 2.96 0.08 0.12 -4.94 117.98 112.85 2dk8 s PHE 26 Ca -0.10 -2.39 0.22 0.00 0.12 0.00 0.00 56.93 54.78 2dk8 s PHE 26 Cb 0.21 -2.59 1.02 0.00 -0.57 0.00 0.00 43.02 41.09 2dk8 s PHE 26 CO 0.78 -0.90 1.71 -0.35 -0.10 0.00 0.00 175.22 176.36 2dk8 n PRO 27 N 4.48 0.14 -0.06 0.24 -0.04 -1.25 -2.60 135.00 135.92 2dk8 n PRO 27 Ca -0.06 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 2dk8 n PRO 27 Cb 0.42 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 2dk8 n PRO 27 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2dk8 n HIS 28 N -1.40 0.56 0.00 0.54 8.25 -1.26 -4.85 115.22 117.05 2dk8 n HIS 28 Ca 0.08 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2dk8 n HIS 28 Cb 0.22 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.23 2dk8 n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dk8 n GLY 29 N 1.70 3.02 3.10 -1.41 0.00 -1.07 -4.73 105.19 105.80 2dk8 n GLY 29 Ca -0.26 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.20 1.25 0.18 -0.61 -4.36 0.46 -4.79 121.20 111.12 2dk8 s ILE 30 Ca 0.00 -0.63 -0.05 0.00 -0.26 0.00 0.00 60.65 59.71 2dk8 s ILE 30 Cb 0.00 -1.07 -0.06 0.00 1.25 0.00 0.00 42.46 42.58 2dk8 s ILE 30 CO 0.00 0.36 0.42 0.42 0.24 0.00 0.00 174.94 176.39 2dk8 s THR 31 N -0.01 5.11 0.45 8.37 -4.23 -1.26 -0.96 115.64 123.11 2dk8 s THR 31 Ca -0.02 0.10 0.31 0.00 -1.18 0.00 0.00 61.69 60.90 2dk8 s THR 31 Cb -0.10 -3.64 0.50 0.00 1.34 0.00 0.00 72.50 70.61 2dk8 s THR 31 CO 0.01 -0.03 1.63 -0.78 -0.54 0.00 0.00 174.62 174.92 2dk8 h ASP 32 N 2.62 0.23 0.42 3.99 3.58 -2.00 0.71 116.42 125.97 2dk8 h ASP 32 Ca -0.46 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.08 2dk8 h ASP 32 Cb 1.17 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2dk8 h ASP 32 CO 0.71 -0.15 -0.20 1.56 -2.88 0.00 0.00 179.24 178.28 2dk8 h GLN 33 N 0.09 -0.54 -0.01 0.28 1.08 -1.94 -1.44 115.11 112.63 2dk8 h GLN 33 Ca 0.81 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 58.05 2dk8 h GLN 33 Cb 2.60 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 30.16 2dk8 h GLN 33 CO -0.37 -0.31 -0.02 0.28 -0.95 0.00 0.00 178.83 177.46 2dk8 h VAL 34 N -0.65 0.00 -1.35 -0.54 2.07 0.05 0.29 116.25 116.12 2dk8 h VAL 34 Ca -0.06 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.90 2dk8 h VAL 34 Cb 0.48 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.12 2dk8 h VAL 34 CO 0.09 0.00 0.88 0.40 0.02 0.00 0.00 177.57 178.96 2dk8 h ILE 35 N -0.02 0.11 -0.05 4.57 2.04 -1.50 1.28 117.51 123.95 2dk8 h ILE 35 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2dk8 h ILE 35 Cb 0.02 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 2dk8 h ILE 35 CO -0.01 0.01 0.03 -0.61 0.00 0.00 0.00 178.15 177.57 2dk8 h GLN 36 N 0.08 0.06 0.00 2.37 4.15 0.63 1.53 115.11 123.93 2dk8 h GLN 36 Ca 0.83 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.24 2dk8 h GLN 36 Cb 2.64 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 30.32 2dk8 h GLN 36 CO -0.40 0.04 0.00 0.09 -1.93 0.00 0.00 178.83 176.63 2dk8 n ASN 37 N -5.06 0.00 -0.07 -0.69 3.02 0.42 -0.25 115.26 112.64 2dk8 n ASN 37 Ca -0.06 0.50 -0.18 0.00 -0.03 0.00 0.00 54.58 54.81 2dk8 n ASN 37 Cb 0.03 -0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 38.57 2dk8 n ASN 37 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dk8 n GLU 38 N -1.50 0.69 -3.04 3.52 -0.58 -0.02 -4.75 120.64 114.97 2dk8 n GLU 38 Ca 0.04 0.19 -0.19 0.00 -0.42 0.00 0.00 57.16 56.78 2dk8 n GLU 38 Cb 0.20 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.42 2dk8 n GLU 38 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2dk8 n MET 39 N -3.27 0.72 0.00 3.49 2.81 0.51 -4.94 117.12 116.44 2dk8 n MET 39 Ca -0.37 -2.71 0.12 0.00 -1.81 0.00 0.00 57.70 52.93 2dk8 n MET 39 Cb 1.04 -1.31 0.69 0.00 -0.71 0.00 0.00 33.22 32.93 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 1.53 0.75 0.01 0.03 -0.04 0.65 -2.33 135.00 135.61 2dk8 n PRO 40 Ca 0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2dk8 n PRO 40 Cb 0.56 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 2dk8 n PRO 40 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2dk8 h HIS 41 N 0.00 0.00 -3.93 0.54 2.07 -1.92 -3.47 115.15 108.44 2dk8 h HIS 41 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 2dk8 h HIS 41 Cb 0.00 0.00 0.21 0.00 2.57 0.00 0.00 27.41 30.19 2dk8 h HIS 41 CO 0.00 0.74 0.12 -0.89 -3.07 0.00 0.00 177.93 174.83 2dk8 n ILE 42 N -2.96 0.00 -3.95 6.12 2.08 -0.98 -5.02 119.36 114.65 2dk8 n ILE 42 Ca -0.12 -0.14 -0.21 0.00 0.56 0.00 0.00 62.75 62.84 2dk8 n ILE 42 Cb 0.92 -0.99 -0.02 0.00 -0.75 0.00 0.00 39.64 38.80 2dk8 n ILE 42 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2dk8 s GLU 43 N -4.53 3.44 0.02 0.38 0.41 -1.26 -4.92 118.70 112.23 2dk8 s GLU 43 Ca 0.67 -0.75 -0.07 0.00 -0.41 0.00 0.00 54.97 54.41 2dk8 s GLU 43 Cb -0.24 -2.89 -0.03 0.00 -1.78 0.00 0.00 34.13 29.19 2dk8 s GLU 43 CO 0.60 0.42 1.11 0.00 -0.49 0.00 0.00 175.26 176.91 2dk8 h ALA 44 N 1.18 -0.80 -1.05 5.21 0.00 -1.98 0.98 119.26 122.80 2dk8 h ALA 44 Ca -0.52 -0.04 0.28 0.00 0.00 0.00 0.00 54.91 54.63 2dk8 h ALA 44 Cb 1.23 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 19.30 2dk8 h ALA 44 CO 0.61 -0.81 0.66 1.96 0.00 0.00 0.00 179.25 181.68 2dk8 h GLN 45 N -0.20 0.40 0.25 0.00 4.20 -1.97 0.60 115.11 118.39 2dk8 h GLN 45 Ca -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2dk8 h GLN 45 Cb 0.18 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2dk8 h GLN 45 CO -0.02 0.26 -0.12 1.96 -0.67 0.00 0.00 178.83 180.24 2dk8 h GLN 46 N 0.41 -0.32 -0.66 1.46 4.20 -1.75 0.89 115.11 119.34 2dk8 h GLN 46 Ca 0.63 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.37 2dk8 h GLN 46 Cb 1.53 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.35 2dk8 h GLN 46 CO -0.36 -0.04 0.43 0.00 -0.67 0.00 0.00 178.83 178.20 2dk8 h ARG 47 N -0.60 0.87 0.52 1.46 3.08 0.33 -1.05 114.38 118.99 2dk8 h ARG 47 Ca -0.03 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2dk8 h ARG 47 Cb 0.43 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.29 2dk8 h ARG 47 CO 0.06 0.58 -0.25 0.00 -1.07 0.00 0.00 179.97 179.28 2dk8 h ALA 48 N 1.24 -0.70 -0.28 0.04 0.00 0.15 -1.19 119.26 118.51 2dk8 h ALA 48 Ca 0.24 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2dk8 h ALA 48 Cb -0.10 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2dk8 h ALA 48 CO -0.05 -0.74 -0.21 0.28 0.00 0.00 0.00 179.25 178.53 2dk8 h VAL 49 N -1.00 0.00 -0.77 0.00 2.07 0.96 1.58 116.25 119.09 2dk8 h VAL 49 Ca -0.07 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.63 2dk8 h VAL 49 Cb 0.62 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.26 2dk8 h VAL 49 CO 0.12 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.77 2dk8 h ALA 50 N -0.60 0.89 0.54 1.67 0.00 -1.26 0.71 119.26 121.22 2dk8 h ALA 50 Ca 0.05 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2dk8 h ALA 50 Cb 0.17 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2dk8 h ALA 50 CO -0.29 -0.42 -0.37 0.82 0.00 0.00 0.00 179.25 178.99 2dk8 h ILE 51 N 0.14 0.00 -0.41 0.00 2.04 0.10 0.79 117.51 120.17 2dk8 h ILE 51 Ca 0.44 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.37 2dk8 h ILE 51 Cb 0.79 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.78 2dk8 h ILE 51 CO -0.64 0.00 -0.40 -1.13 0.00 0.00 0.00 178.15 175.98 2dk8 h ASN 52 N -0.86 -1.32 -0.50 1.72 -0.73 0.34 0.44 115.58 114.67 2dk8 h ASN 52 Ca -0.07 0.21 0.07 0.00 1.87 0.00 0.00 56.30 58.38 2dk8 h ASN 52 Cb 0.70 0.59 -0.09 0.00 0.27 0.00 0.00 38.32 39.79 2dk8 h ASN 52 CO 0.05 -0.35 -0.50 0.03 -0.37 0.00 0.00 177.43 176.29 2dk8 h ARG 53 N -0.30 -0.30 -0.40 6.67 -0.00 0.54 0.39 114.38 120.98 2dk8 h ARG 53 Ca 0.15 0.02 0.07 0.00 -0.50 0.00 0.00 59.98 59.73 2dk8 h ARG 53 Cb 0.57 0.07 -0.06 0.00 0.00 0.00 0.00 29.97 30.55 2dk8 h ARG 53 CO -0.57 -0.20 0.00 -0.07 0.00 0.00 0.00 179.97 179.13 2dk8 h LEU 54 N -0.31 -0.16 -0.33 3.04 3.38 0.40 1.49 115.31 122.81 2dk8 h LEU 54 Ca 0.12 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.26 2dk8 h LEU 54 Cb 0.58 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 2dk8 h LEU 54 CO -0.64 -0.04 -0.29 -0.07 0.09 0.00 0.00 178.44 177.48 2dk8 h LEU 55 N 0.11 -0.95 0.63 1.67 3.38 0.23 0.87 115.31 121.24 2dk8 h LEU 55 Ca 0.20 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 2dk8 h LEU 55 Cb 0.28 0.45 0.01 0.00 0.09 0.00 0.00 40.66 41.48 2dk8 h LEU 55 CO -0.33 -0.31 -0.30 -1.28 0.09 0.00 0.00 178.44 176.32 2dk8 h SER 56 N -0.25 -0.71 -1.72 -0.43 0.87 0.69 -2.94 113.55 109.05 2dk8 h SER 56 Ca 0.16 0.02 0.51 0.00 -1.23 0.00 0.00 61.79 61.25 2dk8 h SER 56 Cb 0.51 0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.58 2dk8 h SER 56 CO -0.48 -0.36 1.22 0.23 -0.53 0.00 0.00 176.83 176.92 2dk8 n MET 57 N -5.11 -0.00 -0.49 2.24 2.81 0.50 -4.67 117.12 112.39 2dk8 n MET 57 Ca -0.10 0.98 0.00 0.00 -1.81 0.00 0.00 57.70 56.77 2dk8 n MET 57 Cb 0.33 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 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 -1.79 0.73 0.09 3.03 0.00 0.21 -4.95 105.19 102.51 2dk8 n GLY 58 Ca 0.40 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.49 0.65 -4.20 1.61 1.13 -0.66 -4.72 117.38 108.69 2dk8 n GLN 59 Ca 0.00 0.30 -0.31 0.00 -1.94 0.00 0.00 57.00 55.05 2dk8 n GLN 59 Cb 0.00 -1.78 -0.08 0.00 0.11 0.00 0.00 30.24 28.48 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 -6.25 3.42 -0.17 1.08 2.96 -0.99 -2.44 118.68 116.29 2dk8 s LEU 60 Ca -0.07 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2dk8 s LEU 60 Cb 0.08 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.68 2dk8 s LEU 60 CO 0.82 0.21 -0.20 -0.62 -1.32 0.00 0.00 176.35 175.23 2dk8 s ASP 61 N -2.05 3.14 0.16 3.68 -1.08 0.69 -4.28 116.67 116.92 2dk8 s ASP 61 Ca 0.23 -0.63 -0.20 0.00 -0.52 0.00 0.00 52.55 51.43 2dk8 s ASP 61 Cb -0.12 -1.47 -0.08 0.00 -1.46 0.00 0.00 42.92 39.80 2dk8 s ASP 61 CO 0.15 0.02 0.67 -0.22 0.52 0.00 0.00 175.17 176.32 2dk8 s LEU 62 N 1.15 4.46 -0.21 -1.34 0.20 -1.26 -0.90 118.68 120.79 2dk8 s LEU 62 Ca 0.01 1.40 -0.04 0.00 0.69 0.00 0.00 54.13 56.19 2dk8 s LEU 62 Cb -0.14 -3.27 0.08 0.00 -0.43 0.00 0.00 46.19 42.43 2dk8 s LEU 62 CO -0.10 0.16 0.17 -0.76 -0.29 0.00 0.00 176.35 175.53 2dk8 s LEU 63 N -1.50 0.12 -0.52 -0.68 1.43 0.28 -4.95 118.68 112.86 2dk8 s LEU 63 Ca 0.36 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 52.67 2dk8 s LEU 63 Cb -0.19 0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.12 2dk8 s LEU 63 CO 0.22 -0.35 1.41 -0.13 0.23 0.00 0.00 176.35 177.72 2dk8 s ARG 64 N 2.24 3.38 -0.70 1.70 3.00 -1.26 0.19 118.95 127.49 2dk8 s ARG 64 Ca 0.05 0.59 0.03 0.00 0.00 0.00 0.00 55.73 56.40 2dk8 s ARG 64 Cb -0.16 -4.09 0.35 0.00 0.00 0.00 0.00 34.95 31.05 2dk8 s ARG 64 CO -0.15 -1.83 1.29 -1.13 0.00 0.00 0.00 175.30 173.48 2dk8 n SER 65 N 9.35 5.52 -1.48 0.23 3.41 -1.19 -4.95 113.62 124.52 2dk8 n SER 65 Ca 0.14 -3.71 0.13 0.00 -0.26 0.00 0.00 58.87 55.17 2dk8 n SER 65 Cb 0.49 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 2dk8 n SER 65 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2dk8 n ASN 66 N -0.25 -7.84 0.00 4.04 3.02 -1.26 -4.51 115.26 108.46 2dk8 n ASN 66 Ca 0.38 1.55 0.00 0.00 -0.03 0.00 0.00 54.58 56.48 2dk8 n ASN 66 Cb 0.38 -4.99 0.00 0.00 -0.61 0.00 0.00 39.78 34.56 2dk8 n ASN 66 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2dk8 n THR 67 N -3.89 0.00 -2.95 3.41 -1.04 -1.26 -4.44 114.28 104.11 2dk8 n THR 67 Ca -0.07 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.71 2dk8 n THR 67 Cb 0.62 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.14 2dk8 n THR 67 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2dk8 s GLY 68 N 0.00 1.56 0.43 3.41 0.00 -1.26 -5.10 107.32 106.36 2dk8 s GLY 68 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.73 2dk8 s GLY 68 CO 0.00 -0.84 0.64 1.08 0.00 0.00 0.00 173.10 173.98 2dk8 s LEU 69 N -4.58 3.68 0.09 0.66 1.43 -1.26 -3.16 118.68 115.53 2dk8 s LEU 69 Ca 0.48 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.83 2dk8 s LEU 69 Cb -0.10 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 2dk8 s LEU 69 CO 0.39 -0.69 -0.26 -0.22 0.23 0.00 0.00 176.35 175.80 2dk8 s LEU 70 N -4.49 2.29 -0.19 1.79 0.20 0.50 -4.34 118.68 114.45 2dk8 s LEU 70 Ca 0.49 -0.65 -0.01 0.00 0.69 0.00 0.00 54.13 54.65 2dk8 s LEU 70 Cb -0.10 -1.29 0.05 0.00 -0.43 0.00 0.00 46.19 44.42 2dk8 s LEU 70 CO 0.36 0.22 -0.03 -0.31 -0.29 0.00 0.00 176.35 176.30 2dk8 s TYR 71 N -0.94 1.67 0.45 5.38 2.02 -0.13 0.10 117.35 125.90 2dk8 s TYR 71 Ca 0.13 -1.16 0.03 0.00 -0.37 0.00 0.00 57.07 55.70 2dk8 s TYR 71 Cb -0.10 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 2dk8 s TYR 71 CO 0.04 -0.64 0.06 -0.98 -1.57 0.00 0.00 175.55 172.46 2dk8 s ARG 72 N 1.64 2.03 0.05 -0.62 1.70 -0.08 0.17 118.95 123.84 2dk8 s ARG 72 Ca -0.01 -2.25 -0.31 0.00 -0.47 0.00 0.00 55.73 52.69 2dk8 s ARG 72 Cb -0.16 -1.13 -0.06 0.00 -0.57 0.00 0.00 34.95 33.03 2dk8 s ARG 72 CO -0.07 -0.37 1.35 0.42 -1.08 0.00 0.00 175.30 175.55 2dk8 s ILE 73 N -3.03 3.66 -0.03 4.99 -1.09 -1.25 -0.22 121.20 124.23 2dk8 s ILE 73 Ca 0.18 1.13 -0.30 0.00 -2.23 0.00 0.00 60.65 59.43 2dk8 s ILE 73 Cb 0.03 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 37.12 2dk8 s ILE 73 CO 0.10 0.04 1.72 -0.75 -1.23 0.00 0.00 174.94 174.83 2dk8 s LYS 74 N 1.72 4.17 -0.30 2.79 2.20 -1.02 -4.69 119.74 124.61 2dk8 s LYS 74 Ca 0.63 2.29 -0.16 0.00 -0.36 0.00 0.00 55.97 58.36 2dk8 s LYS 74 Cb -0.33 -4.01 0.18 0.00 -1.51 0.00 0.00 37.83 32.16 2dk8 s LYS 74 CO 0.28 -0.87 1.10 0.34 -0.36 0.00 0.00 175.35 175.84 2dk8 s ASP 75 N 3.55 -0.37 -0.25 1.43 2.15 -1.26 -4.97 116.67 116.95 2dk8 s ASP 75 Ca 0.77 0.53 -0.15 0.00 0.43 0.00 0.00 52.55 54.12 2dk8 s ASP 75 Cb -0.36 1.34 -0.04 0.00 -0.30 0.00 0.00 42.92 43.57 2dk8 s ASP 75 CO 0.32 -0.08 0.37 -0.44 -0.17 0.00 0.00 175.17 175.18 2dk8 s SER 76 N 1.95 6.29 0.76 -0.34 0.01 -1.26 -5.04 113.70 116.07 2dk8 s SER 76 Ca -0.04 0.33 -0.17 0.00 1.31 0.00 0.00 55.95 57.38 2dk8 s SER 76 Cb -0.04 -2.21 -0.12 0.00 0.21 0.00 0.00 66.02 63.86 2dk8 s SER 76 CO -0.16 -0.15 -0.26 0.61 0.41 0.00 0.00 173.24 173.69 2dk8 n GLY 77 N 4.50 -3.45 3.79 3.44 0.00 -1.26 -4.94 105.19 107.27 2dk8 n GLY 77 Ca -0.09 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.84 1.18 0.45 1.61 0.04 -1.26 -5.05 135.00 130.12 2dk8 s PRO 78 Ca 0.52 0.30 -0.08 0.00 0.04 0.00 0.00 61.00 61.78 2dk8 s PRO 78 Cb -0.33 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2dk8 s PRO 78 CO 0.72 -2.17 0.78 -1.12 0.04 0.00 0.00 177.00 175.24 2dk8 s SER 79 N -4.03 6.38 -0.42 6.66 0.01 -1.26 -5.04 113.70 116.00 2dk8 s SER 79 Ca 0.64 1.02 -0.18 0.00 1.31 0.00 0.00 55.95 58.74 2dk8 s SER 79 Cb -0.15 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.82 2dk8 s SER 79 CO 0.53 -0.50 0.46 -0.44 0.41 0.00 0.00 173.24 173.70 2dk8 s SER 80 N -3.67 6.21 0.00 2.44 0.01 -1.26 -5.34 113.70 112.10 2dk8 s SER 80 Ca 0.49 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2dk8 s SER 80 Cb -0.10 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2dk8 s SER 80 CO 0.39 -0.59 0.02 0.61 0.41 0.00 0.00 173.24 174.08