#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 5.35 -0.17 1.61 0.01 -1.26 -5.11 113.70 114.13 2dk8 s SER 2 Ca 0.00 0.12 -0.14 0.00 1.31 0.00 0.00 55.95 57.24 2dk8 s SER 2 Cb 0.00 -1.50 0.05 0.00 0.21 0.00 0.00 66.02 64.78 2dk8 s SER 2 CO 0.00 0.33 0.44 -0.55 0.41 0.00 0.00 173.24 173.88 2dk8 s SER 3 N -1.23 -0.49 0.00 2.44 0.15 -1.26 -5.07 113.70 108.24 2dk8 s SER 3 Ca 0.17 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2dk8 s SER 3 Cb -0.12 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 2dk8 s SER 3 CO 0.07 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2dk8 n GLY 4 N 3.20 1.46 3.26 9.45 0.00 -1.26 -5.06 105.19 116.25 2dk8 n GLY 4 Ca -0.16 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 2dk8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk8 n SER 5 N 0.00 5.66 -3.47 1.61 7.64 -1.26 -4.90 113.62 118.90 2dk8 n SER 5 Ca 0.00 -3.12 0.03 0.00 1.01 0.00 0.00 58.87 56.79 2dk8 n SER 5 Cb 0.00 -1.34 -0.05 0.00 -1.01 0.00 0.00 64.21 61.80 2dk8 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk8 s SER 6 N 0.61 -0.09 0.00 6.43 1.04 -1.26 -5.18 113.70 115.25 2dk8 s SER 6 Ca 0.31 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2dk8 s SER 6 Cb -0.07 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.12 2dk8 s SER 6 CO -0.04 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2dk8 n GLY 7 N 3.71 0.88 0.00 7.32 0.00 -1.26 -5.07 105.19 110.77 2dk8 n GLY 7 Ca -0.13 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 -2.96 1.61 -0.04 -1.26 -4.94 135.00 127.41 2dk8 n PRO 8 Ca 0.00 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2dk8 n PRO 8 Cb 0.00 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2dk8 n PRO 8 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dk8 s ASP 9 N -2.04 -1.02 -0.32 3.54 -1.08 -1.26 -5.11 116.67 109.39 2dk8 s ASP 9 Ca 0.00 -0.66 0.05 0.00 -0.52 0.00 0.00 52.55 51.42 2dk8 s ASP 9 Cb 0.00 1.31 0.18 0.00 -1.46 0.00 0.00 42.92 42.95 2dk8 s ASP 9 CO 0.00 -0.10 0.53 0.00 0.52 0.00 0.00 175.17 176.12 2dk8 s ALA 10 N 1.69 -1.91 0.80 3.66 0.00 -1.26 -5.15 121.76 119.58 2dk8 s ALA 10 Ca 0.18 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.47 2dk8 s ALA 10 Cb 0.00 -2.41 -0.12 0.00 0.00 0.00 0.00 23.12 20.59 2dk8 s ALA 10 CO -0.10 -1.91 -0.33 -0.25 0.00 0.00 0.00 175.76 173.18 2dk8 n ASP 11 N 5.12 -4.37 0.09 0.00 9.92 -1.26 -4.81 116.55 121.24 2dk8 n ASP 11 Ca 0.05 0.40 -0.05 0.00 -0.53 0.00 0.00 54.79 54.67 2dk8 n ASP 11 Cb 0.53 -0.88 -0.02 0.00 -0.64 0.00 0.00 41.12 40.10 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 -0.63 -0.30 -0.98 -0.24 0.13 -1.99 -2.95 132.00 125.03 2dk8 h PRO 12 Ca -0.43 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.88 2dk8 h PRO 12 Cb 1.35 0.07 -0.16 0.00 0.13 0.00 0.00 31.00 32.39 2dk8 h PRO 12 CO 0.33 -0.20 -0.36 1.55 -0.23 0.00 0.00 178.00 179.08 2dk8 n VAL 13 N -4.73 -0.50 0.06 1.56 3.14 -1.26 -0.01 118.33 116.59 2dk8 n VAL 13 Ca -0.04 2.30 -0.15 0.00 -2.96 0.00 0.00 64.34 63.49 2dk8 n VAL 13 Cb 0.12 -3.06 -0.09 0.00 -1.06 0.00 0.00 33.84 29.76 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 -0.61 -0.54 1.45 5.08 -1.94 0.67 114.58 118.69 2dk8 h GLU 14 Ca 0.36 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.87 2dk8 h GLU 14 Cb 0.61 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.89 2dk8 h GLU 14 CO -0.98 -0.41 -0.25 0.82 -1.00 0.00 0.00 179.01 177.19 2dk8 h ILE 15 N -0.64 0.29 0.60 3.13 2.04 -0.24 -0.26 117.51 122.43 2dk8 h ILE 15 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 2dk8 h ILE 15 Cb 0.70 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2dk8 h ILE 15 CO -0.35 0.00 -0.50 -0.33 0.00 0.00 0.00 178.15 176.97 2dk8 h GLU 16 N -0.12 -1.04 -0.99 2.37 5.08 0.27 -1.70 114.58 118.46 2dk8 h GLU 16 Ca 0.24 0.07 0.37 0.00 -1.00 0.00 0.00 59.36 59.04 2dk8 h GLU 16 Cb 0.50 0.24 -0.18 0.00 0.50 0.00 0.00 28.75 29.81 2dk8 h GLU 16 CO -0.61 -0.69 0.37 0.09 -1.00 0.00 0.00 179.01 177.16 2dk8 n ASN 17 N -5.59 0.19 0.06 1.42 3.02 0.22 0.14 115.26 114.73 2dk8 n ASN 17 Ca -0.13 1.66 -0.11 0.00 -0.03 0.00 0.00 54.58 55.97 2dk8 n ASN 17 Cb 0.48 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.24 -1.01 3.52 1.12 -0.15 -0.84 114.38 116.77 2dk8 h ARG 18 Ca 0.76 0.02 0.11 0.00 -1.11 0.00 0.00 59.98 59.77 2dk8 h ARG 18 Cb 1.91 0.06 -0.08 0.00 -0.01 0.00 0.00 29.97 31.84 2dk8 h ARG 18 CO -0.82 -0.16 0.64 0.82 -3.11 0.00 0.00 179.97 177.33 2dk8 h ILE 19 N -0.25 0.94 0.15 1.20 2.04 0.17 -1.11 117.51 120.64 2dk8 h ILE 19 Ca 0.05 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.57 2dk8 h ILE 19 Cb 0.31 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2dk8 h ILE 19 CO -0.13 0.19 -0.22 0.40 0.00 0.00 0.00 178.15 178.39 2dk8 h ILE 20 N 1.02 0.52 -0.90 -0.67 1.08 -0.07 1.09 117.51 119.59 2dk8 h ILE 20 Ca 0.49 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 65.12 2dk8 h ILE 20 Cb 0.46 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 34.65 2dk8 h ILE 20 CO -0.26 0.00 0.58 -0.33 -0.69 0.00 0.00 178.15 177.45 2dk8 h GLU 21 N -0.43 0.61 0.21 2.37 5.08 -0.03 0.11 114.58 122.50 2dk8 h GLU 21 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2dk8 h GLU 21 Cb 0.43 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2dk8 h GLU 21 CO -0.09 0.40 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.15 2dk8 h LEU 22 N 0.63 -0.24 -1.85 1.33 3.38 -0.12 -1.35 115.31 117.09 2dk8 h LEU 22 Ca 0.46 -0.25 0.31 0.00 0.09 0.00 0.00 57.88 58.50 2dk8 h LEU 22 Cb 0.83 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2dk8 h LEU 22 CO -0.21 0.28 0.89 0.00 0.09 0.00 0.00 178.44 179.49 2dk8 h HIS 24 N 0.00 0.72 -0.42 0.00 3.86 -0.69 -3.26 115.15 115.36 2dk8 h HIS 24 Ca 0.52 -0.47 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 2dk8 h HIS 24 Cb 2.28 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 30.68 2dk8 h HIS 24 CO 0.00 1.33 0.19 1.96 0.86 0.00 0.00 177.93 182.27 2dk8 h GLN 25 N -0.10 0.59 -4.69 2.45 1.08 0.28 -3.37 115.11 111.35 2dk8 h GLN 25 Ca -0.15 -0.07 -0.68 0.00 -1.45 0.00 0.00 58.65 56.31 2dk8 h GLN 25 Cb 1.68 -0.11 -0.36 0.00 -0.05 0.00 0.00 27.48 28.63 2dk8 h GLN 25 CO 0.18 0.47 -0.68 -0.06 -0.95 0.00 0.00 178.83 177.79 2dk8 s PHE 26 N -5.32 3.47 -0.53 2.96 0.40 0.82 -4.94 117.98 114.85 2dk8 s PHE 26 Ca -0.08 -2.37 0.26 0.00 -0.60 0.00 0.00 56.93 54.14 2dk8 s PHE 26 Cb 0.17 -2.58 0.89 0.00 0.51 0.00 0.00 43.02 42.01 2dk8 s PHE 26 CO 0.75 -0.90 1.76 -1.00 0.70 0.00 0.00 175.22 176.53 2dk8 h PRO 27 N 7.88 0.00 0.17 0.24 0.13 -1.73 -3.10 132.00 135.60 2dk8 h PRO 27 Ca -0.14 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.63 2dk8 h PRO 27 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2dk8 h PRO 27 CO 0.56 0.00 -1.81 0.45 -0.23 0.00 0.00 178.00 176.98 2dk8 h HIS 28 N 0.00 0.65 0.00 1.56 3.86 -1.92 -3.43 115.15 115.87 2dk8 h HIS 28 Ca 0.00 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2dk8 h HIS 28 Cb 0.59 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2dk8 h HIS 28 CO 0.00 1.71 0.00 0.41 0.86 0.00 0.00 177.93 180.91 2dk8 n GLY 29 N 1.89 1.96 3.27 2.45 0.00 -1.17 -4.66 105.19 108.94 2dk8 n GLY 29 Ca -0.27 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 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 0.90 0.17 -0.61 -4.36 0.50 -4.83 121.20 111.54 2dk8 s ILE 30 Ca 0.00 -2.01 0.11 0.00 -0.26 0.00 0.00 60.65 58.48 2dk8 s ILE 30 Cb 0.00 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 2dk8 s ILE 30 CO 0.00 -0.49 -0.24 0.42 0.24 0.00 0.00 174.94 174.87 2dk8 s THR 31 N -3.51 2.23 0.34 8.37 -4.23 -1.26 -0.75 115.64 116.83 2dk8 s THR 31 Ca 0.24 -1.93 0.14 0.00 -1.18 0.00 0.00 61.69 58.96 2dk8 s THR 31 Cb 0.05 -2.03 0.35 0.00 1.34 0.00 0.00 72.50 72.21 2dk8 s THR 31 CO 0.05 -0.09 1.61 0.44 -0.54 0.00 0.00 174.62 176.09 2dk8 h ASP 32 N 3.42 0.21 0.17 3.99 5.19 -1.99 0.39 116.42 127.80 2dk8 h ASP 32 Ca -0.47 0.24 0.01 0.00 -0.62 0.00 0.00 57.03 56.19 2dk8 h ASP 32 Cb 1.20 0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.93 2dk8 h ASP 32 CO 0.46 -0.31 -0.46 -0.61 -3.12 0.00 0.00 179.24 175.20 2dk8 h GLN 33 N 0.12 -0.70 -0.01 3.56 4.15 -1.96 0.30 115.11 120.57 2dk8 h GLN 33 Ca 0.74 0.05 0.00 0.00 0.77 0.00 0.00 58.65 60.21 2dk8 h GLN 33 Cb 1.80 0.16 -0.00 0.00 0.21 0.00 0.00 27.48 29.65 2dk8 h GLN 33 CO -0.74 -0.46 -0.01 0.28 -1.93 0.00 0.00 178.83 175.97 2dk8 h VAL 34 N -0.72 0.00 -1.59 2.39 2.07 -0.62 1.08 116.25 118.86 2dk8 h VAL 34 Ca 0.00 0.00 0.46 0.00 0.82 0.00 0.00 66.70 67.99 2dk8 h VAL 34 Cb 0.73 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 2dk8 h VAL 34 CO -0.23 0.00 1.14 0.40 0.02 0.00 0.00 177.57 178.89 2dk8 h ILE 35 N -0.00 0.20 0.03 4.57 2.04 -1.35 1.06 117.51 124.05 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 0.01 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2dk8 h ILE 35 CO -0.01 0.00 -0.01 -0.61 0.00 0.00 0.00 178.15 177.52 2dk8 h GLN 36 N 0.01 -0.04 0.00 2.37 4.15 0.32 1.51 115.11 123.44 2dk8 h GLN 36 Ca 0.76 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.19 2dk8 h GLN 36 Cb 3.03 0.01 0.00 0.00 0.21 0.00 0.00 27.48 30.72 2dk8 h GLN 36 CO -0.03 0.30 0.00 -0.91 -1.93 0.00 0.00 178.83 176.26 2dk8 h ASN 37 N -0.38 0.00 0.12 -0.69 2.35 0.40 0.40 115.58 117.78 2dk8 h ASN 37 Ca -0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 2dk8 h ASN 37 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2dk8 h ASN 37 CO 0.01 0.00 -1.82 -0.33 -1.65 0.00 0.00 177.43 173.63 2dk8 h GLU 38 N 0.00 0.25 -1.59 0.81 4.39 -0.00 -3.43 114.58 115.00 2dk8 h GLU 38 Ca 0.00 -0.43 -0.48 0.00 0.34 0.00 0.00 59.36 58.79 2dk8 h GLU 38 Cb 0.46 0.16 -0.33 0.00 -0.10 0.00 0.00 28.75 28.94 2dk8 h GLU 38 CO 0.00 1.20 -0.96 -1.33 -1.16 0.00 0.00 179.01 176.77 2dk8 n MET 39 N -3.66 0.68 0.00 2.33 2.81 0.51 -4.93 117.12 114.86 2dk8 n MET 39 Ca -0.30 -2.88 0.11 0.00 -1.81 0.00 0.00 57.70 52.82 2dk8 n MET 39 Cb 0.99 -1.31 0.68 0.00 -0.71 0.00 0.00 33.22 32.88 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 1.62 0.75 0.06 0.03 -0.04 0.14 -2.15 135.00 135.40 2dk8 n PRO 40 Ca 0.19 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 2dk8 n PRO 40 Cb 0.55 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.71 -2.11 0.54 1.44 -1.26 -4.91 115.22 108.65 2dk8 n HIS 41 Ca 0.17 0.21 -0.40 0.00 -2.01 0.00 0.00 57.72 55.69 2dk8 n HIS 41 Cb 0.08 -0.87 -0.02 0.00 0.12 0.00 0.00 29.99 29.30 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 -3.30 2.72 0.68 0.61 -1.09 -0.92 -4.98 121.20 114.93 2dk8 s ILE 42 Ca -0.03 0.70 -0.14 0.00 -2.23 0.00 0.00 60.65 58.95 2dk8 s ILE 42 Cb 0.10 -3.43 0.01 0.00 -1.58 0.00 0.00 42.46 37.56 2dk8 s ILE 42 CO 0.82 0.14 1.11 -1.61 -1.23 0.00 0.00 174.94 174.17 2dk8 s GLU 43 N -1.95 2.71 0.29 2.79 2.02 -1.26 -4.77 118.70 118.53 2dk8 s GLU 43 Ca 0.52 1.34 -0.00 0.00 0.02 0.00 0.00 54.97 56.84 2dk8 s GLU 43 Cb -0.39 -1.94 0.49 0.00 0.10 0.00 0.00 34.13 32.39 2dk8 s GLU 43 CO 0.51 -1.32 1.92 0.00 0.02 0.00 0.00 175.26 176.39 2dk8 h ALA 44 N -0.19 1.47 0.00 5.21 0.00 -1.98 0.60 119.26 124.36 2dk8 h ALA 44 Ca -0.46 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 2dk8 h ALA 44 Cb 1.24 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2dk8 h ALA 44 CO 0.54 0.41 -0.51 1.96 0.00 0.00 0.00 179.25 181.64 2dk8 h GLN 45 N 1.08 0.35 -0.62 0.00 4.20 -1.98 -2.29 115.11 115.84 2dk8 h GLN 45 Ca 0.38 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2dk8 h GLN 45 Cb 0.13 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2dk8 h GLN 45 CO -0.14 1.06 0.41 1.96 -0.67 0.00 0.00 178.83 181.45 2dk8 h GLN 46 N -0.22 0.80 -0.27 1.46 1.08 -1.78 1.26 115.11 117.45 2dk8 h GLN 46 Ca -0.06 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 56.97 2dk8 h GLN 46 Cb 1.24 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2dk8 h GLN 46 CO 0.10 0.53 -0.27 0.00 -0.95 0.00 0.00 178.83 178.24 2dk8 h ARG 47 N 0.83 0.66 -0.17 1.46 3.08 0.16 -2.62 114.38 117.78 2dk8 h ARG 47 Ca 0.23 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 2dk8 h ARG 47 Cb -0.08 0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2dk8 h ARG 47 CO -0.05 0.96 -0.33 0.00 -1.07 0.00 0.00 179.97 179.48 2dk8 h ALA 48 N 0.69 0.27 -0.06 0.04 0.00 -0.77 -2.70 119.26 116.72 2dk8 h ALA 48 Ca 0.04 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2dk8 h ALA 48 Cb 0.84 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2dk8 h ALA 48 CO 0.07 0.31 -0.12 0.28 0.00 0.00 0.00 179.25 179.79 2dk8 h VAL 49 N 0.16 0.00 -0.79 0.00 2.07 0.16 1.52 116.25 119.38 2dk8 h VAL 49 Ca 0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.71 2dk8 h VAL 49 Cb 0.92 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.55 2dk8 h VAL 49 CO 0.07 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.68 2dk8 h ALA 50 N -1.09 0.84 0.48 1.67 0.00 -1.56 0.79 119.26 120.39 2dk8 h ALA 50 Ca 0.01 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2dk8 h ALA 50 Cb 0.14 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2dk8 h ALA 50 CO -0.12 -0.44 -0.36 0.82 0.00 0.00 0.00 179.25 179.15 2dk8 h ILE 51 N 0.10 0.00 -0.56 0.00 2.04 -0.74 0.21 117.51 118.57 2dk8 h ILE 51 Ca 0.44 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.41 2dk8 h ILE 51 Cb 0.79 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.76 2dk8 h ILE 51 CO -0.70 0.00 -0.21 -1.13 0.00 0.00 0.00 178.15 176.12 2dk8 h ASN 52 N -0.81 -0.73 -0.14 1.72 -0.73 0.37 0.56 115.58 115.81 2dk8 h ASN 52 Ca -0.06 0.19 0.04 0.00 1.87 0.00 0.00 56.30 58.34 2dk8 h ASN 52 Cb 0.67 0.42 -0.07 0.00 0.27 0.00 0.00 38.32 39.62 2dk8 h ASN 52 CO 0.02 -0.24 -0.43 0.03 -0.37 0.00 0.00 177.43 176.44 2dk8 h ARG 53 N -0.07 -0.48 -0.60 6.67 -0.00 0.83 0.38 114.38 121.11 2dk8 h ARG 53 Ca 0.26 0.03 0.07 0.00 -0.50 0.00 0.00 59.98 59.84 2dk8 h ARG 53 Cb 0.48 0.11 -0.06 0.00 0.00 0.00 0.00 29.97 30.49 2dk8 h ARG 53 CO -0.61 -0.32 0.27 -0.07 0.00 0.00 0.00 179.97 179.24 2dk8 h LEU 54 N -0.50 0.35 -0.63 3.04 3.38 0.87 1.30 115.31 123.12 2dk8 h LEU 54 Ca 0.07 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.19 2dk8 h LEU 54 Cb 0.63 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 2dk8 h LEU 54 CO -0.40 0.22 0.24 -0.07 0.09 0.00 0.00 178.44 178.51 2dk8 h LEU 55 N 0.50 0.23 0.34 1.67 3.38 0.16 0.73 115.31 122.32 2dk8 h LEU 55 Ca 0.28 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2dk8 h LEU 55 Cb 0.27 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dk8 h LEU 55 CO -0.23 0.13 -0.16 -1.28 0.09 0.00 0.00 178.44 176.99 2dk8 h SER 56 N 0.42 -0.39 -1.40 -0.43 0.87 0.12 -3.22 113.55 109.51 2dk8 h SER 56 Ca 0.32 0.01 0.47 0.00 -1.23 0.00 0.00 61.79 61.37 2dk8 h SER 56 Cb 0.40 0.10 -0.13 0.00 -0.44 0.00 0.00 62.40 62.34 2dk8 h SER 56 CO -0.32 0.03 0.92 0.23 -0.53 0.00 0.00 176.83 177.16 2dk8 n MET 57 N -4.93 -0.03 -0.28 2.24 2.81 0.43 -4.72 117.12 112.63 2dk8 n MET 57 Ca -0.06 1.19 0.00 0.00 -1.81 0.00 0.00 57.70 57.02 2dk8 n MET 57 Cb 0.18 -2.39 0.00 0.00 -0.71 0.00 0.00 33.22 30.30 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 -1.55 1.00 0.07 3.03 0.00 0.16 -4.97 105.19 102.93 2dk8 n GLY 58 Ca 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.99 0.67 -4.52 1.61 6.02 -0.65 -4.79 117.38 113.72 2dk8 n GLN 59 Ca 0.00 -0.03 -0.31 0.00 -0.01 0.00 0.00 57.00 56.65 2dk8 n GLN 59 Cb 0.02 -1.57 -0.11 0.00 1.02 0.00 0.00 30.24 29.59 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 -5.23 2.87 -0.15 1.08 2.96 -1.02 -3.07 118.68 116.11 2dk8 s LEU 60 Ca -0.08 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 2dk8 s LEU 60 Cb 0.09 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 2dk8 s LEU 60 CO 0.85 0.25 -0.15 -1.81 -1.32 0.00 0.00 176.35 174.17 2dk8 s ASP 61 N -1.57 3.66 0.12 3.68 1.11 0.14 -4.31 116.67 119.50 2dk8 s ASP 61 Ca 0.17 -0.47 -0.22 0.00 0.18 0.00 0.00 52.55 52.21 2dk8 s ASP 61 Cb -0.11 -1.56 -0.07 0.00 1.07 0.00 0.00 42.92 42.25 2dk8 s ASP 61 CO 0.07 0.08 0.66 -0.22 1.18 0.00 0.00 175.17 176.95 2dk8 s LEU 62 N 0.81 4.55 -0.22 1.23 0.20 -1.26 -0.26 118.68 123.72 2dk8 s LEU 62 Ca -0.05 1.43 -0.04 0.00 0.69 0.00 0.00 54.13 56.15 2dk8 s LEU 62 Cb -0.15 -3.09 0.08 0.00 -0.43 0.00 0.00 46.19 42.60 2dk8 s LEU 62 CO -0.00 0.24 0.10 -0.22 -0.29 0.00 0.00 176.35 176.18 2dk8 s LEU 63 N -1.16 0.61 -0.03 -0.68 0.20 0.16 -4.95 118.68 112.82 2dk8 s LEU 63 Ca 0.32 -0.94 -0.30 0.00 0.69 0.00 0.00 54.13 53.90 2dk8 s LEU 63 Cb -0.21 -0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 2dk8 s LEU 63 CO 0.22 -0.38 1.15 -0.13 -0.29 0.00 0.00 176.35 176.92 2dk8 s ARG 64 N 2.07 4.40 0.00 1.98 0.52 -1.26 0.32 118.95 126.98 2dk8 s ARG 64 Ca 0.05 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.89 2dk8 s ARG 64 Cb -0.16 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.81 2dk8 s ARG 64 CO -0.20 -0.34 0.00 0.45 0.02 0.00 0.00 175.30 175.23 2dk8 n SER 65 N 4.72 0.00 -3.60 0.23 2.88 -1.24 -4.94 113.62 111.68 2dk8 n SER 65 Ca 0.10 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.58 2dk8 n SER 65 Cb 0.47 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.91 2dk8 n SER 65 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2dk8 s ASN 66 N 1.00 -0.25 -0.36 -3.46 -0.87 -1.26 -4.94 114.94 104.80 2dk8 s ASN 66 Ca 0.00 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 2dk8 s ASN 66 Cb 0.00 0.37 0.00 0.00 -0.02 0.00 0.00 41.25 41.60 2dk8 s ASN 66 CO 0.00 -0.63 0.00 0.41 -2.57 0.00 0.00 177.10 174.31 2dk8 n THR 67 N -0.32 -0.18 0.00 1.60 -1.04 -1.26 -4.51 114.28 108.57 2dk8 n THR 67 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2dk8 n THR 67 Cb 0.61 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 -0.57 0.88 3.77 3.41 0.00 -1.26 -5.08 105.19 106.34 2dk8 n GLY 68 Ca -0.05 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 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 3.36 0.27 0.99 1.43 -1.26 -3.62 118.68 119.85 2dk8 s LEU 69 Ca 0.00 -0.70 0.11 0.00 -1.03 0.00 0.00 54.13 52.51 2dk8 s LEU 69 Cb 0.00 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2dk8 s LEU 69 CO 0.00 -0.34 -0.19 -0.22 0.23 0.00 0.00 176.35 175.83 2dk8 s LEU 70 N -3.90 2.59 -0.03 1.79 0.20 0.15 -4.46 118.68 115.02 2dk8 s LEU 70 Ca 0.39 -1.03 -0.00 0.00 0.69 0.00 0.00 54.13 54.18 2dk8 s LEU 70 Cb -0.03 -1.04 0.03 0.00 -0.43 0.00 0.00 46.19 44.72 2dk8 s LEU 70 CO 0.24 0.01 0.03 -0.31 -0.29 0.00 0.00 176.35 176.02 2dk8 s TYR 71 N -2.57 0.15 0.37 5.38 2.02 0.07 0.40 117.35 123.17 2dk8 s TYR 71 Ca 0.29 0.11 0.05 0.00 -0.37 0.00 0.00 57.07 57.14 2dk8 s TYR 71 Cb -0.04 -0.37 -0.03 0.00 -0.40 0.00 0.00 41.96 41.12 2dk8 s TYR 71 CO 0.14 -0.14 0.18 -0.98 -1.57 0.00 0.00 175.55 173.19 2dk8 s ARG 72 N 1.36 1.83 0.07 -0.62 1.70 0.63 0.19 118.95 124.11 2dk8 s ARG 72 Ca -0.05 -2.09 -0.31 0.00 -0.47 0.00 0.00 55.73 52.81 2dk8 s ARG 72 Cb -0.13 -0.22 -0.07 0.00 -0.57 0.00 0.00 34.95 33.96 2dk8 s ARG 72 CO -0.03 -0.54 1.32 0.42 -1.08 0.00 0.00 175.30 175.40 2dk8 s ILE 73 N -3.34 3.66 0.36 4.99 -1.09 -1.23 0.29 121.20 124.83 2dk8 s ILE 73 Ca 0.31 1.16 -0.28 0.00 -2.23 0.00 0.00 60.65 59.61 2dk8 s ILE 73 Cb 0.03 -3.74 -0.10 0.00 -1.58 0.00 0.00 42.46 37.06 2dk8 s ILE 73 CO 0.19 0.07 1.38 -0.75 -1.23 0.00 0.00 174.94 174.60 2dk8 s LYS 74 N 1.36 4.18 -0.28 2.79 2.20 -1.17 -4.69 119.74 124.12 2dk8 s LYS 74 Ca 0.62 2.36 -0.26 0.00 -0.36 0.00 0.00 55.97 58.33 2dk8 s LYS 74 Cb -0.33 -2.97 0.18 0.00 -1.51 0.00 0.00 37.83 33.20 2dk8 s LYS 74 CO 0.29 -0.39 1.34 0.34 -0.36 0.00 0.00 175.35 176.57 2dk8 s ASP 75 N -0.39 -0.12 -0.35 1.43 2.15 -1.26 -5.00 116.67 113.13 2dk8 s ASP 75 Ca 0.52 0.21 -0.30 0.00 0.43 0.00 0.00 52.55 53.41 2dk8 s ASP 75 Cb -0.42 0.21 0.05 0.00 -0.30 0.00 0.00 42.92 42.45 2dk8 s ASP 75 CO 0.57 -0.06 0.51 -0.24 -0.17 0.00 0.00 175.17 175.78 2dk8 n SER 76 N 1.40 -5.75 -4.43 -0.34 2.88 -1.26 -4.98 113.62 101.14 2dk8 n SER 76 Ca -0.08 -0.02 -0.26 0.00 -1.33 0.00 0.00 58.87 57.17 2dk8 n SER 76 Cb 0.57 -1.64 -0.11 0.00 -0.75 0.00 0.00 64.21 62.27 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 -1.36 1.74 0.78 0.46 0.00 -1.26 -5.14 107.32 102.54 2dk8 s GLY 77 Ca 0.30 -1.69 -0.11 0.00 0.00 0.00 0.00 44.72 43.21 2dk8 s GLY 77 CO 0.68 -1.73 1.09 2.56 0.00 0.00 0.00 173.10 175.70 2dk8 s PRO 78 N -2.84 2.26 -0.19 2.90 0.04 -1.26 -5.06 135.00 130.86 2dk8 s PRO 78 Ca 0.23 0.70 0.01 0.00 0.04 0.00 0.00 61.00 61.98 2dk8 s PRO 78 Cb -0.07 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2dk8 s PRO 78 CO 0.11 -1.51 -0.17 -1.12 0.04 0.00 0.00 177.00 174.35 2dk8 s SER 79 N -3.89 3.25 -1.17 6.66 0.01 -1.26 -5.05 113.70 112.25 2dk8 s SER 79 Ca 0.60 -0.74 -0.19 0.00 1.31 0.00 0.00 55.95 56.92 2dk8 s SER 79 Cb -0.14 -1.40 0.08 0.00 0.21 0.00 0.00 66.02 64.76 2dk8 s SER 79 CO 0.54 -0.05 1.57 -0.44 0.41 0.00 0.00 173.24 175.27 2dk8 s SER 80 N 1.32 6.73 0.00 2.44 0.01 -1.26 -5.37 113.70 117.56 2dk8 s SER 80 Ca 0.02 -2.13 0.00 0.00 1.31 0.00 0.00 55.95 55.16 2dk8 s SER 80 Cb -0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2dk8 s SER 80 CO -0.11 -1.24 0.46 0.61 0.41 0.00 0.00 173.24 173.36