#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 -0.32 0.02 1.61 0.15 -1.26 -5.18 113.70 108.72 2dk8 s SER 2 Ca 0.00 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.61 2dk8 s SER 2 Cb 0.00 0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 2dk8 s SER 2 CO 0.00 -0.63 -0.05 -0.44 1.20 0.00 0.00 173.24 173.33 2dk8 s SER 3 N -2.53 0.46 0.00 5.45 0.01 -1.26 -5.11 113.70 110.73 2dk8 s SER 3 Ca 0.06 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2dk8 s SER 3 Cb -0.01 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2dk8 s SER 3 CO -0.07 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2dk8 n GLY 4 N 1.81 1.05 2.57 3.44 0.00 -1.26 -5.02 105.19 107.79 2dk8 n GLY 4 Ca -0.21 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.76 2.74 0.40 1.61 0.01 -1.26 -5.14 113.70 111.30 2dk8 s SER 5 Ca 0.00 -1.57 0.08 0.00 1.31 0.00 0.00 55.95 55.77 2dk8 s SER 5 Cb 0.00 -0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 2dk8 s SER 5 CO 0.00 -0.36 0.50 -0.44 0.41 0.00 0.00 173.24 173.35 2dk8 s SER 6 N 1.69 5.54 -0.56 2.44 0.01 -1.26 -5.06 113.70 116.50 2dk8 s SER 6 Ca 0.13 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.99 2dk8 s SER 6 Cb -0.18 -0.73 0.23 0.00 0.21 0.00 0.00 66.02 65.55 2dk8 s SER 6 CO -0.18 -0.68 0.59 0.61 0.41 0.00 0.00 173.24 173.99 2dk8 n GLY 7 N -1.73 3.82 0.15 3.44 0.00 -1.26 -4.65 105.19 104.96 2dk8 n GLY 7 Ca 0.06 -2.24 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 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 4.53 0.31 -1.33 1.61 0.13 -1.99 -3.45 132.00 131.82 2dk8 h PRO 8 Ca 0.16 -0.30 0.11 0.00 -0.87 0.00 0.00 66.00 65.10 2dk8 h PRO 8 Cb 0.77 0.08 -0.21 0.00 0.13 0.00 0.00 31.00 31.76 2dk8 h PRO 8 CO 0.66 0.98 -0.13 0.34 -0.23 0.00 0.00 178.00 179.62 2dk8 s ASP 9 N -6.98 -1.14 -0.03 1.44 -1.08 -1.26 -5.07 116.67 102.55 2dk8 s ASP 9 Ca -0.04 1.09 -0.02 0.00 -0.52 0.00 0.00 52.55 53.05 2dk8 s ASP 9 Cb 0.10 2.11 0.01 0.00 -1.46 0.00 0.00 42.92 43.67 2dk8 s ASP 9 CO 0.84 -0.21 0.04 0.00 0.52 0.00 0.00 175.17 176.36 2dk8 n ALA 10 N 5.39 -2.80 -1.01 3.66 0.00 -1.26 -4.87 120.51 119.62 2dk8 n ALA 10 Ca -0.07 0.60 -0.36 0.00 0.00 0.00 0.00 53.44 53.61 2dk8 n ALA 10 Cb 0.51 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.66 2dk8 n ALA 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dk8 n ASP 11 N 0.91 -5.73 0.08 0.00 9.92 -1.26 -4.80 116.55 115.67 2dk8 n ASP 11 Ca -0.07 0.22 -0.04 0.00 -0.53 0.00 0.00 54.79 54.37 2dk8 n ASP 11 Cb 0.12 -0.78 -0.02 0.00 -0.64 0.00 0.00 41.12 39.79 2dk8 n ASP 11 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2dk8 h PRO 12 N -0.94 -0.27 -0.90 -0.24 0.13 -1.91 -3.04 132.00 124.83 2dk8 h PRO 12 Ca -0.44 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.83 2dk8 h PRO 12 Cb 1.31 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.37 2dk8 h PRO 12 CO 0.25 -0.18 -0.46 -0.24 -0.23 0.00 0.00 178.00 177.13 2dk8 h VAL 13 N -0.89 0.02 -0.57 1.56 3.04 -1.98 0.27 116.25 117.70 2dk8 h VAL 13 Ca -0.03 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.75 2dk8 h VAL 13 Cb 0.21 0.02 -0.10 0.00 -2.01 0.00 0.00 31.29 29.41 2dk8 h VAL 13 CO 0.05 0.00 -0.45 -0.33 -1.01 0.00 0.00 177.57 175.83 2dk8 h GLU 14 N -0.06 -0.23 -0.53 4.17 4.39 -1.94 0.48 114.58 120.87 2dk8 h GLU 14 Ca 0.25 0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.07 2dk8 h GLU 14 Cb 0.53 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 2dk8 h GLU 14 CO -0.90 -0.15 -0.16 0.82 -1.16 0.00 0.00 179.01 177.46 2dk8 h ILE 15 N -0.24 0.42 0.27 3.13 2.04 -0.44 0.74 117.51 123.44 2dk8 h ILE 15 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2dk8 h ILE 15 Cb 0.56 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2dk8 h ILE 15 CO -0.68 0.00 -0.20 -0.33 0.00 0.00 0.00 178.15 176.93 2dk8 h GLU 16 N -0.03 -0.44 -0.92 2.37 5.08 0.12 -2.09 114.58 118.67 2dk8 h GLU 16 Ca 0.25 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.89 2dk8 h GLU 16 Cb 0.42 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.60 2dk8 h GLU 16 CO -0.56 -0.29 -0.00 0.09 -1.00 0.00 0.00 179.01 177.24 2dk8 n ASN 17 N -3.55 -0.13 -0.11 1.42 3.02 0.14 0.19 115.26 116.23 2dk8 n ASN 17 Ca -0.06 1.56 -0.05 0.00 -0.03 0.00 0.00 54.58 56.00 2dk8 n ASN 17 Cb 0.20 -0.56 0.01 0.00 -0.61 0.00 0.00 39.78 38.82 2dk8 n ASN 17 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2dk8 h ARG 18 N 0.00 -0.02 -0.79 3.52 1.12 -0.41 0.51 114.38 118.31 2dk8 h ARG 18 Ca 0.55 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.48 2dk8 h ARG 18 Cb 1.10 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 31.01 2dk8 h ARG 18 CO -0.87 -0.01 0.47 0.82 -3.11 0.00 0.00 179.97 177.27 2dk8 h ILE 19 N -0.02 1.00 0.00 1.20 2.04 0.27 -1.88 117.51 120.11 2dk8 h ILE 19 Ca 0.19 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.79 2dk8 h ILE 19 Cb 0.31 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 2dk8 h ILE 19 CO -0.41 0.15 -0.30 0.40 0.00 0.00 0.00 178.15 177.99 2dk8 h ILE 20 N 0.85 0.34 -0.86 -0.67 1.08 0.45 1.53 117.51 120.22 2dk8 h ILE 20 Ca 0.35 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 65.03 2dk8 h ILE 20 Cb 0.20 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.23 2dk8 h ILE 20 CO -0.19 0.00 0.58 -0.33 -0.69 0.00 0.00 178.15 177.53 2dk8 h GLU 21 N -0.45 0.28 0.08 2.37 5.08 -0.44 0.17 114.58 121.68 2dk8 h GLU 21 Ca 0.06 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2dk8 h GLU 21 Cb 0.54 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2dk8 h GLU 21 CO -0.25 0.19 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.83 2dk8 h LEU 22 N 0.29 -0.09 -1.85 1.33 3.38 -0.10 -0.69 115.31 117.59 2dk8 h LEU 22 Ca 0.44 -0.11 0.40 0.00 0.09 0.00 0.00 57.88 58.70 2dk8 h LEU 22 Cb 1.25 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 2dk8 h LEU 22 CO -0.13 0.44 1.08 0.00 0.09 0.00 0.00 178.44 179.93 2dk8 h HIS 24 N 0.00 0.43 -0.09 0.00 3.86 -0.69 -3.00 115.15 115.66 2dk8 h HIS 24 Ca 0.65 -0.32 0.03 0.00 -1.16 0.00 0.00 60.37 59.57 2dk8 h HIS 24 Cb 2.80 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 31.25 2dk8 h HIS 24 CO 0.00 1.37 0.08 1.96 0.86 0.00 0.00 177.93 182.20 2dk8 h GLN 25 N -0.44 0.00 -4.62 2.45 4.20 0.34 -3.35 115.11 113.68 2dk8 h GLN 25 Ca -0.19 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 57.87 2dk8 h GLN 25 Cb 1.61 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 29.00 2dk8 h GLN 25 CO 0.09 0.00 -0.77 -0.06 -0.67 0.00 0.00 178.83 177.42 2dk8 s PHE 26 N -4.85 3.12 0.00 2.96 0.40 0.14 -4.96 117.98 114.78 2dk8 s PHE 26 Ca -0.05 -2.36 0.20 0.00 -0.60 0.00 0.00 56.93 54.13 2dk8 s PHE 26 Cb 0.16 -2.12 0.57 0.00 0.51 0.00 0.00 43.02 42.14 2dk8 s PHE 26 CO 0.62 -0.88 1.68 -1.00 0.70 0.00 0.00 175.22 176.34 2dk8 h PRO 27 N 7.79 0.00 0.25 0.24 0.13 -1.73 -3.16 132.00 135.52 2dk8 h PRO 27 Ca -0.14 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.65 2dk8 h PRO 27 Cb 1.04 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.21 2dk8 h PRO 27 CO 0.47 0.31 -1.50 0.45 -0.23 0.00 0.00 178.00 177.50 2dk8 h HIS 28 N 0.00 0.96 0.00 1.56 3.86 -1.93 -3.43 115.15 116.17 2dk8 h HIS 28 Ca -0.00 -0.70 0.00 0.00 -1.16 0.00 0.00 60.37 58.51 2dk8 h HIS 28 Cb 0.99 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2dk8 h HIS 28 CO 0.00 1.57 0.00 0.41 0.86 0.00 0.00 177.93 180.77 2dk8 n GLY 29 N 1.72 2.54 3.24 2.45 0.00 -1.19 -4.70 105.19 109.25 2dk8 n GLY 29 Ca -0.17 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.75 1.31 0.12 -0.61 -4.36 0.25 -4.85 121.20 111.31 2dk8 s ILE 30 Ca 0.00 -1.69 0.05 0.00 -0.26 0.00 0.00 60.65 58.75 2dk8 s ILE 30 Cb 0.00 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.17 2dk8 s ILE 30 CO 0.00 -0.41 0.02 0.42 0.24 0.00 0.00 174.94 175.21 2dk8 s THR 31 N -2.09 4.01 0.56 8.37 -4.23 -1.26 -0.41 115.64 120.59 2dk8 s THR 31 Ca 0.08 -1.10 0.39 0.00 -1.18 0.00 0.00 61.69 59.87 2dk8 s THR 31 Cb -0.05 -2.96 0.57 0.00 1.34 0.00 0.00 72.50 71.40 2dk8 s THR 31 CO 0.03 0.03 1.68 -0.78 -0.54 0.00 0.00 174.62 175.05 2dk8 h ASP 32 N 3.12 0.00 0.18 3.99 1.82 -1.99 0.58 116.42 124.12 2dk8 h ASP 32 Ca -0.47 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.16 2dk8 h ASP 32 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2dk8 h ASP 32 CO 0.60 0.00 -0.09 -0.61 -1.61 0.00 0.00 179.24 177.53 2dk8 h GLN 33 N 0.00 -0.23 0.07 0.28 5.75 -1.95 -2.18 115.11 116.85 2dk8 h GLN 33 Ca 0.62 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 59.15 2dk8 h GLN 33 Cb 2.67 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 31.24 2dk8 h GLN 33 CO -0.01 0.16 -0.37 0.28 -2.65 0.00 0.00 178.83 176.25 2dk8 h VAL 34 N -0.72 0.00 -1.09 2.39 2.07 -0.25 0.11 116.25 118.77 2dk8 h VAL 34 Ca -0.02 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.82 2dk8 h VAL 34 Cb 0.50 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.15 2dk8 h VAL 34 CO 0.04 0.00 0.67 0.40 0.02 0.00 0.00 177.57 178.70 2dk8 h ILE 35 N -0.52 0.35 -0.03 4.57 2.04 -1.44 0.54 117.51 123.01 2dk8 h ILE 35 Ca -0.00 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.76 2dk8 h ILE 35 Cb 0.53 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2dk8 h ILE 35 CO -0.21 0.06 -0.04 -0.61 0.00 0.00 0.00 178.15 177.35 2dk8 h GLN 36 N 0.31 -0.05 0.00 2.37 4.15 -0.17 1.49 115.11 123.21 2dk8 h GLN 36 Ca 0.70 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.13 2dk8 h GLN 36 Cb 1.80 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.50 2dk8 h GLN 36 CO -0.45 -0.03 0.00 -0.97 -1.93 0.00 0.00 178.83 175.44 2dk8 h ASN 37 N -0.05 0.00 0.08 -0.69 -0.73 0.16 0.75 115.58 115.10 2dk8 h ASN 37 Ca 0.03 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.83 2dk8 h ASN 37 Cb 0.09 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 2dk8 h ASN 37 CO -0.07 0.00 -2.08 -0.62 -0.37 0.00 0.00 177.43 174.29 2dk8 n GLU 38 N -2.47 0.71 -3.09 6.67 -0.58 0.19 -4.74 120.64 117.34 2dk8 n GLU 38 Ca -0.01 0.26 -0.20 0.00 -0.42 0.00 0.00 57.16 56.79 2dk8 n GLU 38 Cb 0.11 -1.65 -0.04 0.00 -0.57 0.00 0.00 31.44 29.28 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 -3.54 0.71 0.00 3.49 2.81 0.49 -4.93 117.12 116.15 2dk8 n MET 39 Ca -0.37 -2.86 0.12 0.00 -1.81 0.00 0.00 57.70 52.78 2dk8 n MET 39 Cb 0.99 -1.28 0.71 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 1.51 0.75 -0.01 0.03 -0.04 0.26 -2.32 135.00 135.17 2dk8 n PRO 40 Ca 0.18 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.60 2dk8 n PRO 40 Cb 0.55 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.00 0.82 -1.09 0.54 1.44 -1.26 -4.94 115.22 109.73 2dk8 n HIS 41 Ca 0.18 0.28 -0.34 0.00 -2.01 0.00 0.00 57.72 55.83 2dk8 n HIS 41 Cb 0.08 -1.09 0.11 0.00 0.12 0.00 0.00 29.99 29.21 2dk8 n HIS 41 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2dk8 n ILE 42 N -2.91 1.50 -2.24 0.61 2.08 -0.98 -4.97 119.36 112.44 2dk8 n ILE 42 Ca -0.15 -0.27 -0.29 0.00 0.56 0.00 0.00 62.75 62.59 2dk8 n ILE 42 Cb 0.95 -0.91 0.01 0.00 -0.75 0.00 0.00 39.64 38.95 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 -3.52 3.46 0.21 0.38 2.02 -1.26 -4.88 118.70 115.11 2dk8 s GLU 43 Ca 0.67 0.43 -0.07 0.00 0.02 0.00 0.00 54.97 56.02 2dk8 s GLU 43 Cb -0.29 -2.22 0.16 0.00 0.10 0.00 0.00 34.13 31.88 2dk8 s GLU 43 CO 0.57 -0.46 1.73 0.00 0.02 0.00 0.00 175.26 177.13 2dk8 h ALA 44 N -0.10 0.99 0.04 5.21 0.00 -1.99 0.26 119.26 123.67 2dk8 h ALA 44 Ca -0.45 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.00 2dk8 h ALA 44 Cb 1.21 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.75 2dk8 h ALA 44 CO 0.62 0.65 -0.84 1.96 0.00 0.00 0.00 179.25 181.64 2dk8 h GLN 45 N 1.04 0.49 -0.83 0.00 4.20 -1.98 -2.59 115.11 115.44 2dk8 h GLN 45 Ca 0.22 -0.59 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 2dk8 h GLN 45 Cb 0.37 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 2dk8 h GLN 45 CO 0.00 1.22 0.51 1.96 -0.67 0.00 0.00 178.83 181.85 2dk8 h GLN 46 N 0.03 1.12 -0.26 1.46 1.08 -1.91 1.31 115.11 117.93 2dk8 h GLN 46 Ca -0.12 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 2dk8 h GLN 46 Cb 1.55 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.73 2dk8 h GLN 46 CO 0.16 0.78 0.08 0.00 -0.95 0.00 0.00 178.83 178.91 2dk8 h ARG 47 N 1.13 0.41 -0.00 1.46 3.08 -0.54 -2.35 114.38 117.57 2dk8 h ARG 47 Ca 0.30 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 2dk8 h ARG 47 Cb -0.06 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 2dk8 h ARG 47 CO -0.06 0.48 -0.00 0.00 -1.07 0.00 0.00 179.97 179.32 2dk8 h ALA 48 N 0.92 0.01 -0.10 0.04 0.00 -1.05 -2.72 119.26 116.35 2dk8 h ALA 48 Ca 0.09 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2dk8 h ALA 48 Cb 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dk8 h ALA 48 CO -0.00 -0.27 -0.07 0.28 0.00 0.00 0.00 179.25 179.19 2dk8 h VAL 49 N -0.43 0.00 -0.76 0.00 2.07 0.17 1.62 116.25 118.92 2dk8 h VAL 49 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2dk8 h VAL 49 Cb 0.44 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.07 2dk8 h VAL 49 CO 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.37 2dk8 h ALA 50 N -0.87 0.42 0.31 1.67 0.00 -1.50 0.88 119.26 120.16 2dk8 h ALA 50 Ca 0.02 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2dk8 h ALA 50 Cb 0.05 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2dk8 h ALA 50 CO -0.10 -0.46 -0.39 0.82 0.00 0.00 0.00 179.25 179.12 2dk8 h ILE 51 N -0.02 0.00 -0.48 0.00 2.04 -0.15 0.37 117.51 119.27 2dk8 h ILE 51 Ca 0.35 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.30 2dk8 h ILE 51 Cb 0.57 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.55 2dk8 h ILE 51 CO -0.79 0.00 -0.29 -1.13 0.00 0.00 0.00 178.15 175.93 2dk8 h ASN 52 N -0.72 -0.99 -0.05 1.72 -0.73 0.39 1.10 115.58 116.30 2dk8 h ASN 52 Ca -0.04 0.20 0.02 0.00 1.87 0.00 0.00 56.30 58.35 2dk8 h ASN 52 Cb 0.64 0.49 -0.06 0.00 0.27 0.00 0.00 38.32 39.67 2dk8 h ASN 52 CO -0.09 -0.29 -0.53 0.03 -0.37 0.00 0.00 177.43 176.18 2dk8 h ARG 53 N -0.18 -0.61 -0.39 6.67 -0.00 0.11 0.23 114.38 120.22 2dk8 h ARG 53 Ca 0.21 0.04 0.06 0.00 -0.50 0.00 0.00 59.98 59.79 2dk8 h ARG 53 Cb 0.52 0.14 -0.05 0.00 0.00 0.00 0.00 29.97 30.57 2dk8 h ARG 53 CO -0.58 -0.40 0.06 -0.07 0.00 0.00 0.00 179.97 178.98 2dk8 h LEU 54 N -0.63 -0.02 -0.99 3.04 3.38 0.78 0.97 115.31 121.84 2dk8 h LEU 54 Ca 0.02 0.07 0.30 0.00 0.09 0.00 0.00 57.88 58.36 2dk8 h LEU 54 Cb 0.70 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 2dk8 h LEU 54 CO -0.38 0.03 0.55 -0.07 0.09 0.00 0.00 178.44 178.65 2dk8 h LEU 55 N 0.19 0.51 0.00 1.67 3.38 0.23 0.41 115.31 121.69 2dk8 h LEU 55 Ca 0.19 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2dk8 h LEU 55 Cb 0.23 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dk8 h LEU 55 CO -0.26 -0.08 -0.12 -1.28 0.09 0.00 0.00 178.44 176.79 2dk8 h SER 56 N 0.38 0.00 -1.73 -0.43 0.87 0.11 -3.33 113.55 109.41 2dk8 h SER 56 Ca 0.70 0.00 0.52 0.00 -1.23 0.00 0.00 61.79 61.78 2dk8 h SER 56 Cb 1.52 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.39 2dk8 h SER 56 CO -0.58 0.51 1.22 0.23 -0.53 0.00 0.00 176.83 177.68 2dk8 n MET 57 N -4.47 -0.01 -0.41 2.24 2.81 0.32 -4.70 117.12 112.91 2dk8 n MET 57 Ca -0.02 1.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.96 2dk8 n MET 57 Cb 0.06 -2.38 0.00 0.00 -0.71 0.00 0.00 33.22 30.19 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 -1.77 1.12 0.06 3.03 0.00 0.13 -4.97 105.19 102.79 2dk8 n GLY 58 Ca 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.74 0.69 -4.45 1.61 1.13 -0.72 -4.75 117.38 109.14 2dk8 n GLN 59 Ca 0.00 -0.09 -0.29 0.00 -1.94 0.00 0.00 57.00 54.68 2dk8 n GLN 59 Cb 0.06 -1.52 -0.13 0.00 0.11 0.00 0.00 30.24 28.77 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 -5.08 2.40 -0.13 1.08 2.96 -1.15 -3.00 118.68 115.77 2dk8 s LEU 60 Ca -0.09 -0.67 0.03 0.00 -0.22 0.00 0.00 54.13 53.17 2dk8 s LEU 60 Cb 0.09 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.48 2dk8 s LEU 60 CO 0.86 0.19 -0.22 -0.62 -1.32 0.00 0.00 176.35 175.24 2dk8 s ASP 61 N -1.95 3.08 -0.15 3.68 -1.08 0.06 -4.13 116.67 116.17 2dk8 s ASP 61 Ca 0.15 -0.59 -0.21 0.00 -0.52 0.00 0.00 52.55 51.38 2dk8 s ASP 61 Cb -0.10 -1.42 -0.03 0.00 -1.46 0.00 0.00 42.92 39.91 2dk8 s ASP 61 CO 0.06 0.10 0.65 -0.22 0.52 0.00 0.00 175.17 176.28 2dk8 s LEU 62 N 0.68 4.20 -0.27 -1.34 0.20 -1.26 -1.31 118.68 119.59 2dk8 s LEU 62 Ca -0.11 0.94 0.01 0.00 0.69 0.00 0.00 54.13 55.66 2dk8 s LEU 62 Cb -0.16 -2.94 0.08 0.00 -0.43 0.00 0.00 46.19 42.73 2dk8 s LEU 62 CO 0.01 -0.21 0.01 -0.22 -0.29 0.00 0.00 176.35 175.65 2dk8 s LEU 63 N 1.52 2.73 -0.53 -0.68 0.20 0.49 -4.96 118.68 117.46 2dk8 s LEU 63 Ca 0.31 -1.42 -0.28 0.00 0.69 0.00 0.00 54.13 53.43 2dk8 s LEU 63 Cb -0.16 -1.12 0.03 0.00 -0.43 0.00 0.00 46.19 44.50 2dk8 s LEU 63 CO 0.12 -0.31 1.11 -0.13 -0.29 0.00 0.00 176.35 176.85 2dk8 s ARG 64 N 1.41 3.55 -0.04 1.98 0.52 -1.26 0.14 118.95 125.25 2dk8 s ARG 64 Ca 0.01 0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 55.43 2dk8 s ARG 64 Cb -0.18 -3.98 0.01 0.00 0.52 0.00 0.00 34.95 31.32 2dk8 s ARG 64 CO -0.11 -1.51 0.13 -1.12 0.02 0.00 0.00 175.30 172.70 2dk8 s SER 65 N 2.72 -0.09 0.19 0.23 0.01 -1.24 -4.96 113.70 110.56 2dk8 s SER 65 Ca 0.42 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.83 2dk8 s SER 65 Cb -0.08 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2dk8 s SER 65 CO 0.27 -0.12 0.00 -3.20 0.41 0.00 0.00 173.24 170.60 2dk8 n ASN 66 N 2.67 -0.89 -4.62 2.44 2.85 -1.26 -4.14 115.26 112.31 2dk8 n ASN 66 Ca -0.15 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 53.89 2dk8 n ASN 66 Cb 0.58 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.57 2dk8 n ASN 66 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2dk8 s THR 67 N 0.00 3.25 0.00 -0.44 2.01 -1.26 -4.65 115.64 114.55 2dk8 s THR 67 Ca 0.00 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2dk8 s THR 67 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.22 2dk8 s THR 67 CO 0.00 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 2dk8 n GLY 68 N 5.28 0.94 3.92 4.40 0.00 -1.26 -5.04 105.19 113.43 2dk8 n GLY 68 Ca 0.25 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.92 3.32 0.08 0.99 1.43 -1.26 -3.58 118.68 118.73 2dk8 s LEU 69 Ca 0.00 0.66 0.07 0.00 -1.03 0.00 0.00 54.13 53.84 2dk8 s LEU 69 Cb 0.00 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2dk8 s LEU 69 CO 0.00 -0.98 -0.19 -0.22 0.23 0.00 0.00 176.35 175.18 2dk8 s LEU 70 N -4.91 2.27 -0.11 1.79 0.20 0.38 -4.38 118.68 113.91 2dk8 s LEU 70 Ca 0.53 -0.63 0.01 0.00 0.69 0.00 0.00 54.13 54.72 2dk8 s LEU 70 Cb -0.10 -0.82 0.02 0.00 -0.43 0.00 0.00 46.19 44.86 2dk8 s LEU 70 CO 0.44 0.05 -0.11 -0.31 -0.29 0.00 0.00 176.35 176.13 2dk8 s TYR 71 N -1.10 1.70 0.43 5.38 2.02 0.46 0.19 117.35 126.42 2dk8 s TYR 71 Ca 0.05 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 55.95 2dk8 s TYR 71 Cb -0.10 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 2dk8 s TYR 71 CO 0.03 -0.50 0.10 -0.98 -1.57 0.00 0.00 175.55 172.64 2dk8 s ARG 72 N 1.36 1.98 -0.01 -0.62 1.70 -0.42 0.87 118.95 123.81 2dk8 s ARG 72 Ca -0.00 -2.22 -0.30 0.00 -0.47 0.00 0.00 55.73 52.73 2dk8 s ARG 72 Cb -0.14 -0.80 -0.05 0.00 -0.57 0.00 0.00 34.95 33.39 2dk8 s ARG 72 CO -0.06 -0.45 1.37 0.42 -1.08 0.00 0.00 175.30 175.51 2dk8 s ILE 73 N -3.14 3.79 0.39 4.99 -1.09 -1.13 -0.76 121.20 124.25 2dk8 s ILE 73 Ca 0.20 1.16 -0.27 0.00 -2.23 0.00 0.00 60.65 59.51 2dk8 s ILE 73 Cb 0.02 -3.74 -0.10 0.00 -1.58 0.00 0.00 42.46 37.06 2dk8 s ILE 73 CO 0.12 -0.00 1.38 -0.75 -1.23 0.00 0.00 174.94 174.46 2dk8 s LYS 74 N 2.39 4.03 0.35 2.79 2.20 -1.16 -4.74 119.74 125.59 2dk8 s LYS 74 Ca 0.63 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.59 2dk8 s LYS 74 Cb -0.30 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2dk8 s LYS 74 CO 0.26 -0.51 0.00 -3.47 -0.36 0.00 0.00 175.35 171.26 2dk8 n ASP 75 N 0.29 -2.93 -4.56 1.43 2.03 -1.26 -4.98 116.55 106.56 2dk8 n ASP 75 Ca 0.02 0.66 -0.27 0.00 0.52 0.00 0.00 54.79 55.72 2dk8 n ASP 75 Cb 0.42 2.85 -0.05 0.00 -0.72 0.00 0.00 41.12 43.61 2dk8 n ASP 75 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2dk8 s SER 76 N -2.29 5.14 0.75 1.67 0.15 -1.26 -4.93 113.70 112.94 2dk8 s SER 76 Ca 0.00 -0.94 -0.17 0.00 0.70 0.00 0.00 55.95 55.54 2dk8 s SER 76 Cb 0.00 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.63 2dk8 s SER 76 CO 0.00 -2.80 -0.18 0.61 1.20 0.00 0.00 173.24 172.07 2dk8 n GLY 77 N 6.59 -3.26 3.77 9.45 0.00 -1.26 -4.95 105.19 115.53 2dk8 n GLY 77 Ca 0.41 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.91 -0.29 -0.77 1.61 0.04 -1.26 -4.89 135.00 127.53 2dk8 s PRO 78 Ca 0.53 -0.25 -0.25 0.00 0.04 0.00 0.00 61.00 61.06 2dk8 s PRO 78 Cb -0.34 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2dk8 s PRO 78 CO 0.70 -3.06 2.00 0.45 0.04 0.00 0.00 177.00 177.12 2dk8 s SER 79 N -4.42 5.01 0.06 6.66 0.15 -1.26 -4.82 113.70 115.08 2dk8 s SER 79 Ca 0.73 -0.15 -0.36 0.00 0.70 0.00 0.00 55.95 56.87 2dk8 s SER 79 Cb -0.06 -2.54 -0.19 0.00 -1.71 0.00 0.00 66.02 61.51 2dk8 s SER 79 CO 0.54 -2.75 1.54 -1.28 1.20 0.00 0.00 173.24 172.49 2dk8 h SER 80 N 13.21 -1.12 0.00 5.45 0.87 -2.02 -3.58 113.55 126.36 2dk8 h SER 80 Ca -0.05 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2dk8 h SER 80 Cb 1.07 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2dk8 h SER 80 CO 1.19 -0.77 0.00 0.61 -0.53 0.00 0.00 176.83 177.33