#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnq n SER -5 N 0.00 -5.35 -0.05 1.61 2.88 -1.26 -4.92 113.62 106.53 2dnq n SER -5 Ca 0.00 -0.62 -0.17 0.00 -1.33 0.00 0.00 58.87 56.75 2dnq n SER -5 Cb 0.00 -4.70 -0.13 0.00 -0.75 0.00 0.00 64.21 58.63 2dnq n SER -5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dnq h SER -4 N -2.44 0.10 0.00 -3.46 0.02 -2.12 -3.49 113.55 102.16 2dnq h SER -4 Ca -0.58 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 59.49 2dnq h SER -4 Cb 1.37 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2dnq h SER -4 CO 0.58 1.21 0.00 0.61 -1.14 0.00 0.00 176.83 178.10 2dnq n GLY -3 N 1.60 0.58 3.03 -3.77 0.00 -1.26 -5.17 105.19 100.19 2dnq n GLY -3 Ca -0.16 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 2dnq n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnq s SER -2 N 1.82 0.18 0.49 1.61 0.01 -1.26 -5.16 113.70 111.38 2dnq s SER -2 Ca 0.00 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 2dnq s SER -2 Cb 0.00 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.35 2dnq s SER -2 CO 0.00 -0.34 0.78 -0.94 0.41 0.00 0.00 173.24 173.15 2dnq s SER -1 N -1.52 6.08 0.00 2.44 1.04 -1.26 -4.95 113.70 115.54 2dnq s SER -1 Ca -0.14 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2dnq s SER -1 Cb -0.08 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2dnq s SER -1 CO -0.01 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2dnq n GLY 0 N -2.28 -1.75 3.60 7.32 0.00 -1.26 -5.15 105.19 105.66 2dnq n GLY 0 Ca 0.01 0.70 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 2dnq n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dnq n MET 1 N 0.00 -2.18 -3.61 1.61 3.85 -1.26 -4.57 117.12 110.97 2dnq n MET 1 Ca 0.00 -1.86 -0.18 0.00 -1.00 0.00 0.00 57.70 54.66 2dnq n MET 1 Cb 0.00 -1.47 -0.15 0.00 -1.05 0.00 0.00 33.22 30.55 2dnq n MET 1 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2dnq s VAL 2 N -3.40 -0.27 0.60 3.17 1.01 -0.97 -4.87 120.40 115.67 2dnq s VAL 2 Ca 0.72 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 2dnq s VAL 2 Cb -0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2dnq s VAL 2 CO 0.52 -0.01 1.14 -0.75 0.00 0.00 0.00 175.10 176.00 2dnq s LYS 3 N 2.29 3.05 -0.16 2.72 2.20 -1.26 -1.40 119.74 127.19 2dnq s LYS 3 Ca 0.04 1.58 -0.02 0.00 -0.36 0.00 0.00 55.97 57.22 2dnq s LYS 3 Cb -0.14 -1.97 0.05 0.00 -1.51 0.00 0.00 37.83 34.26 2dnq s LYS 3 CO -0.08 -1.08 0.00 -0.51 -0.36 0.00 0.00 175.35 173.32 2dnq s LEU 4 N -4.25 1.18 -0.35 5.43 1.43 0.26 -3.69 118.68 118.69 2dnq s LEU 4 Ca 0.72 -0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 52.94 2dnq s LEU 4 Cb -0.24 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.34 2dnq s LEU 4 CO 0.33 -0.25 0.96 0.12 0.23 0.00 0.00 176.35 177.75 2dnq s PHE 5 N 1.82 3.11 -0.16 0.29 2.19 -0.23 -1.93 117.98 123.07 2dnq s PHE 5 Ca 0.01 0.91 0.01 0.00 0.33 0.00 0.00 56.93 58.19 2dnq s PHE 5 Cb -0.15 -3.63 0.01 0.00 -1.31 0.00 0.00 43.02 37.94 2dnq s PHE 5 CO -0.07 -0.79 -0.20 0.42 1.83 0.00 0.00 175.22 176.41 2dnq s ILE 6 N 3.49 2.16 0.33 3.12 1.01 -0.20 -1.41 121.20 129.70 2dnq s ILE 6 Ca 0.40 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 60.20 2dnq s ILE 6 Cb -0.12 -1.89 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 2dnq s ILE 6 CO 0.17 0.54 -0.06 -0.83 0.00 0.00 0.00 174.94 174.76 2dnq s GLY 7 N 1.07 2.11 -0.54 6.18 0.00 -0.66 -0.20 107.32 115.27 2dnq s GLY 7 Ca -0.01 -2.06 -0.03 0.00 0.00 0.00 0.00 44.72 42.63 2dnq s GLY 7 CO -0.07 -1.96 0.47 -2.01 0.00 0.00 0.00 173.10 169.52 2dnq n ASN 8 N -0.74 -3.54 -4.81 1.64 5.15 -1.15 -1.31 115.26 110.50 2dnq n ASN 8 Ca -0.05 -0.22 -0.37 0.00 -0.60 0.00 0.00 54.58 53.34 2dnq n ASN 8 Cb 0.64 -2.33 -0.06 0.00 -0.53 0.00 0.00 39.78 37.50 2dnq n ASN 8 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dnq s LEU 9 N -3.57 4.38 0.00 1.20 1.43 -1.14 -4.28 118.68 116.70 2dnq s LEU 9 Ca 0.21 1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 54.60 2dnq s LEU 9 Cb -0.09 -3.53 0.21 0.00 0.03 0.00 0.00 46.19 42.81 2dnq s LEU 9 CO 0.29 0.06 1.10 -0.81 0.23 0.00 0.00 176.35 177.22 2dnq n PRO 10 N 0.87 -1.60 0.09 1.29 -0.04 -1.26 -4.88 135.00 129.47 2dnq n PRO 10 Ca -0.03 -1.71 -0.01 0.00 -0.04 0.00 0.00 63.50 61.72 2dnq n PRO 10 Cb 0.51 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 2dnq n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dnq h ARG 11 N 0.00 0.00 0.00 0.54 3.08 -1.98 -3.26 114.38 112.76 2dnq h ARG 11 Ca -0.37 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.61 2dnq h ARG 11 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2dnq h ARG 11 CO 0.25 0.55 -0.36 0.93 -1.07 0.00 0.00 179.97 180.28 2dnq h GLU 12 N 0.00 0.00 -6.31 0.04 4.39 -1.97 -3.45 114.58 107.27 2dnq h GLU 12 Ca -0.06 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.99 2dnq h GLU 12 Cb 1.54 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 30.23 2dnq h GLU 12 CO 0.07 0.36 0.73 0.00 -1.16 0.00 0.00 179.01 179.01 2dnq n ALA 13 N -2.20 0.09 -2.54 3.43 0.00 -1.23 -4.97 120.51 113.08 2dnq n ALA 13 Ca 0.02 0.44 -0.24 0.00 0.00 0.00 0.00 53.44 53.66 2dnq n ALA 13 Cb 0.65 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 2dnq n ALA 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dnq s THR 14 N 1.70 1.63 0.27 0.00 -4.23 -1.26 -4.97 115.64 108.78 2dnq s THR 14 Ca 0.87 -1.43 -0.10 0.00 -1.18 0.00 0.00 61.69 59.85 2dnq s THR 14 Cb -0.86 -1.48 0.42 0.00 1.34 0.00 0.00 72.50 71.92 2dnq s THR 14 CO 0.49 -0.01 1.56 -0.62 -0.54 0.00 0.00 174.62 175.49 2dnq n GLU 15 N 1.30 -0.12 0.21 3.99 1.02 -1.26 -1.55 120.64 124.22 2dnq n GLU 15 Ca -0.19 1.56 -0.08 0.00 -0.02 0.00 0.00 57.16 58.42 2dnq n GLU 15 Cb 0.54 -2.32 -0.04 0.00 -0.02 0.00 0.00 31.44 29.59 2dnq n GLU 15 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2dnq h GLN 16 N 0.00 -0.52 -0.71 3.49 4.20 -1.96 0.45 115.11 120.07 2dnq h GLN 16 Ca 0.45 0.04 0.12 0.00 0.06 0.00 0.00 58.65 59.32 2dnq h GLN 16 Cb 0.70 0.12 -0.12 0.00 0.30 0.00 0.00 27.48 28.48 2dnq h GLN 16 CO -1.02 -0.34 -0.23 0.39 -0.67 0.00 0.00 178.83 176.95 2dnq n GLU 17 N -3.50 -0.12 -0.02 1.46 -0.58 -0.60 0.20 120.64 117.48 2dnq n GLU 17 Ca -0.07 1.10 -0.12 0.00 -0.42 0.00 0.00 57.16 57.65 2dnq n GLU 17 Cb 0.21 -1.63 0.01 0.00 -0.57 0.00 0.00 31.44 29.46 2dnq n GLU 17 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2dnq h ILE 18 N 0.00 1.31 -0.38 -3.67 1.08 -1.22 -2.89 117.51 111.74 2dnq h ILE 18 Ca 0.29 -1.83 0.03 0.00 -0.39 0.00 0.00 64.86 62.95 2dnq h ILE 18 Cb 0.46 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 2dnq h ILE 18 CO -0.71 0.58 0.17 -0.09 -0.69 0.00 0.00 178.15 177.41 2dnq h ARG 19 N 0.50 0.35 -0.24 2.37 1.12 0.71 -2.70 114.38 116.49 2dnq h ARG 19 Ca -0.00 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2dnq h ARG 19 Cb 1.17 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.04 2dnq h ARG 19 CO 0.12 0.23 0.12 1.03 -3.11 0.00 0.00 179.97 178.36 2dnq h SER 20 N 0.36 0.31 -0.89 -3.80 0.87 -0.49 -1.63 113.55 108.29 2dnq h SER 20 Ca 0.16 -0.12 0.24 0.00 -1.23 0.00 0.00 61.79 60.85 2dnq h SER 20 Cb 0.09 -0.08 -0.15 0.00 -0.44 0.00 0.00 62.40 61.82 2dnq h SER 20 CO -0.13 0.34 0.18 -0.07 -0.53 0.00 0.00 176.83 176.62 2dnq h LEU 21 N 0.27 -0.13 -0.29 2.23 3.38 -1.26 0.75 115.31 120.26 2dnq h LEU 21 Ca 0.08 0.22 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 2dnq h LEU 21 Cb 0.11 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2dnq h LEU 21 CO -0.01 -0.21 -0.74 -0.26 0.09 0.00 0.00 178.44 177.31 2dnq h PHE 22 N 0.14 0.00 0.00 1.13 0.04 -1.31 -3.09 116.94 113.85 2dnq h PHE 22 Ca 0.56 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.33 2dnq h PHE 22 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2dnq h PHE 22 CO -0.32 0.74 0.00 0.39 -0.60 0.00 0.00 178.31 178.51 2dnq n GLU 23 N -3.45 0.10 0.05 1.51 -0.58 0.26 -0.75 120.64 117.78 2dnq n GLU 23 Ca 0.00 0.49 -0.07 0.00 -0.42 0.00 0.00 57.16 57.16 2dnq n GLU 23 Cb 0.77 -1.76 -0.12 0.00 -0.57 0.00 0.00 31.44 29.76 2dnq n GLU 23 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2dnq h GLN 24 N 0.00 0.01 -0.24 3.49 4.20 -1.30 -3.31 115.11 117.96 2dnq h GLN 24 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2dnq h GLN 24 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2dnq h GLN 24 CO 0.00 0.94 0.00 0.66 -0.67 0.00 0.00 178.83 179.76 2dnq n TYR 25 N -3.32 0.31 0.00 2.96 4.02 -0.56 -5.03 117.16 115.55 2dnq n TYR 25 Ca -0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 2dnq n TYR 25 Cb 0.96 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 40.25 2dnq n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dnq n GLY 26 N 0.37 4.11 3.74 2.72 0.00 0.07 -4.74 105.19 111.45 2dnq n GLY 26 Ca 0.09 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 2dnq n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dnq n LYS 27 N -1.20 2.11 -3.98 1.61 4.81 -1.26 -2.91 118.16 117.33 2dnq n LYS 27 Ca 0.00 0.75 -0.34 0.00 -0.87 0.00 0.00 58.31 57.85 2dnq n LYS 27 Cb 0.00 -2.52 -0.06 0.00 0.02 0.00 0.00 35.03 32.47 2dnq n LYS 27 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2dnq s VAL 28 N -1.20 5.18 -0.19 3.15 1.01 -1.26 -2.03 120.40 125.05 2dnq s VAL 28 Ca 0.61 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 2dnq s VAL 28 Cb -0.47 -3.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 2dnq s VAL 28 CO 0.58 0.38 -0.32 0.18 0.00 0.00 0.00 175.10 175.92 2dnq n LEU 29 N 1.20 1.84 -4.07 3.92 4.77 -0.62 -4.98 117.00 119.07 2dnq n LEU 29 Ca -0.13 0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 2dnq n LEU 29 Cb 0.53 -0.72 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 2dnq n LEU 29 CO 0.40 -0.00 -0.42 -0.70 -1.33 0.00 0.00 177.39 175.33 2dnq s GLU 30 N -2.70 0.61 -0.18 3.23 2.56 -1.25 -5.01 118.70 115.96 2dnq s GLU 30 Ca -0.30 -0.70 -0.06 0.00 0.00 0.00 0.00 54.97 53.92 2dnq s GLU 30 Cb 0.07 -0.48 0.09 0.00 2.00 0.00 0.00 34.13 35.81 2dnq s GLU 30 CO 0.41 0.11 0.35 0.00 -0.56 0.00 0.00 175.26 175.57 2dnq s ASP 32 N 2.53 1.66 -0.35 0.00 1.01 -0.88 -4.94 116.67 115.70 2dnq s ASP 32 Ca 0.01 -0.25 -0.05 0.00 0.71 0.00 0.00 52.55 52.98 2dnq s ASP 32 Cb -0.13 -0.72 0.06 0.00 1.01 0.00 0.00 42.92 43.15 2dnq s ASP 32 CO -0.12 -0.04 0.11 -0.63 0.21 0.00 0.00 175.17 174.71 2dnq s ILE 33 N 1.07 3.54 0.08 0.77 1.01 -1.26 -0.57 121.20 125.83 2dnq s ILE 33 Ca -0.08 -1.38 -0.06 0.00 0.00 0.00 0.00 60.65 59.13 2dnq s ILE 33 Cb -0.14 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2dnq s ILE 33 CO -0.01 -0.28 0.11 -0.63 0.00 0.00 0.00 174.94 174.13 2dnq s ILE 34 N 1.32 0.17 -1.37 2.92 1.01 0.35 -4.90 121.20 120.69 2dnq s ILE 34 Ca -0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 60.65 59.16 2dnq s ILE 34 Cb -0.21 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.85 2dnq s ILE 34 CO 0.01 -0.77 0.41 0.29 0.00 0.00 0.00 174.94 174.88 2dnq n LYS 35 N -0.00 -2.11 -1.96 2.79 5.02 -1.26 0.10 118.16 120.74 2dnq n LYS 35 Ca -0.14 0.30 -0.11 0.00 -2.02 0.00 0.00 58.31 56.34 2dnq n LYS 35 Cb 0.62 -4.02 -0.02 0.00 -0.02 0.00 0.00 35.03 31.58 2dnq n LYS 35 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dnq n ASN 36 N -2.82 -3.24 -4.12 4.39 3.02 -1.26 -4.90 115.26 106.32 2dnq n ASN 36 Ca -0.26 0.25 -0.10 0.00 -0.03 0.00 0.00 54.58 54.43 2dnq n ASN 36 Cb 0.66 -2.91 -0.10 0.00 -0.61 0.00 0.00 39.78 36.82 2dnq n ASN 36 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2dnq s TYR 37 N -2.27 0.74 -0.02 3.10 -0.85 0.28 -2.87 117.35 115.47 2dnq s TYR 37 Ca 0.00 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.72 2dnq s TYR 37 Cb 0.00 -0.45 0.02 0.00 0.38 0.00 0.00 41.96 41.91 2dnq s TYR 37 CO 0.00 -0.18 0.01 0.20 -1.52 0.00 0.00 175.55 174.06 2dnq s GLY 38 N -2.61 0.12 -0.24 5.49 0.00 0.72 0.13 107.32 110.92 2dnq s GLY 38 Ca 0.05 0.16 -0.05 0.00 0.00 0.00 0.00 44.72 44.87 2dnq s GLY 38 CO -0.04 0.44 0.01 -1.36 0.00 0.00 0.00 173.10 172.15 2dnq s PHE 39 N 0.71 3.03 -0.12 1.90 0.08 0.26 -1.04 117.98 122.80 2dnq s PHE 39 Ca -0.06 -0.80 0.02 0.00 0.12 0.00 0.00 56.93 56.20 2dnq s PHE 39 Cb -0.09 -2.17 -0.00 0.00 -0.57 0.00 0.00 43.02 40.18 2dnq s PHE 39 CO -0.02 -0.50 -0.19 0.08 -0.10 0.00 0.00 175.22 174.50 2dnq s VAL 40 N 1.52 2.51 -0.56 -0.44 1.01 -0.81 -2.07 120.40 121.56 2dnq s VAL 40 Ca 0.05 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 2dnq s VAL 40 Cb -0.15 -2.02 0.14 0.00 0.00 0.00 0.00 36.38 34.36 2dnq s VAL 40 CO -0.00 0.54 0.44 -1.00 0.00 0.00 0.00 175.10 175.07 2dnq s HIS 41 N 0.46 3.47 0.94 5.22 0.09 -0.67 0.89 115.29 125.69 2dnq s HIS 41 Ca -0.13 -2.03 -0.12 0.00 -0.00 0.00 0.00 55.06 52.78 2dnq s HIS 41 Cb -0.17 -3.51 0.15 0.00 -0.00 0.00 0.00 32.58 29.06 2dnq s HIS 41 CO 0.06 -0.97 1.10 -1.50 -0.00 0.00 0.00 174.74 173.42 2dnq s ILE 42 N 0.91 2.39 0.00 0.60 2.07 -0.49 -1.59 121.20 125.09 2dnq s ILE 42 Ca 0.10 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 2dnq s ILE 42 Cb -0.23 -2.64 0.00 0.00 0.13 0.00 0.00 42.46 39.72 2dnq s ILE 42 CO -0.02 -0.17 0.39 1.21 -1.91 0.00 0.00 174.94 174.44 2dnq n GLU 43 N -3.98 0.00 -3.93 3.50 2.13 -0.86 -2.29 120.64 115.21 2dnq n GLU 43 Ca 0.06 0.28 -0.36 0.00 0.66 0.00 0.00 57.16 57.80 2dnq n GLU 43 Cb 0.56 -1.03 -0.06 0.00 0.27 0.00 0.00 31.44 31.18 2dnq n GLU 43 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2dnq s ASP 44 N -2.05 6.26 0.08 4.31 1.01 -1.26 -4.00 116.67 121.02 2dnq s ASP 44 Ca 0.00 0.40 -0.30 0.00 0.71 0.00 0.00 52.55 53.37 2dnq s ASP 44 Cb 0.00 -1.99 -0.14 0.00 1.01 0.00 0.00 42.92 41.80 2dnq s ASP 44 CO 0.00 0.37 1.46 0.50 0.21 0.00 0.00 175.17 177.71 2dnq h LYS 45 N 4.70 -0.75 -1.11 8.23 3.64 -1.89 -1.68 116.57 127.72 2dnq h LYS 45 Ca -0.53 0.05 0.39 0.00 -1.27 0.00 0.00 60.65 59.29 2dnq h LYS 45 Cb 1.22 0.17 -0.12 0.00 -0.41 0.00 0.00 32.23 33.09 2dnq h LYS 45 CO 0.60 -0.50 0.70 2.41 -2.27 0.00 0.00 179.45 180.40 2dnq n THR 46 N -4.98 -0.22 -0.12 1.00 -1.04 -1.26 0.20 114.28 107.86 2dnq n THR 46 Ca -0.09 1.52 -0.09 0.00 -2.04 0.00 0.00 64.05 63.35 2dnq n THR 46 Cb 0.37 -2.48 -0.01 0.00 -1.82 0.00 0.00 70.33 66.39 2dnq n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dnq h ALA 47 N 1.36 0.47 -0.48 2.41 0.00 -1.60 -2.93 119.26 118.49 2dnq h ALA 47 Ca 0.73 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.66 2dnq h ALA 47 Cb 2.30 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.85 2dnq h ALA 47 CO -0.42 -0.01 -0.12 0.00 0.00 0.00 0.00 179.25 178.71 2dnq h ALA 48 N 1.07 0.33 -0.91 0.00 0.00 0.23 -0.07 119.26 119.91 2dnq h ALA 48 Ca 0.13 0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.40 2dnq h ALA 48 Cb 0.05 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2dnq h ALA 48 CO -0.02 -0.44 0.50 0.93 0.00 0.00 0.00 179.25 180.21 2dnq h GLU 49 N 0.00 0.63 0.25 0.00 3.07 -1.45 0.97 114.58 118.05 2dnq h GLU 49 Ca 0.23 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2dnq h GLU 49 Cb 0.35 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2dnq h GLU 49 CO -0.50 0.42 -0.12 -0.44 -1.40 0.00 0.00 179.01 176.97 2dnq h ASP 50 N 0.65 -0.28 0.28 1.42 3.32 -0.97 -2.52 116.42 118.32 2dnq h ASP 50 Ca 0.52 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 2dnq h ASP 50 Cb 0.79 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2dnq h ASP 50 CO -0.39 -0.04 -0.13 0.00 -1.72 0.00 0.00 179.24 176.96 2dnq h ALA 51 N 0.17 -0.63 -0.78 3.45 0.00 -0.48 -3.22 119.26 117.76 2dnq h ALA 51 Ca -0.03 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2dnq h ALA 51 Cb 0.39 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 2dnq h ALA 51 CO 0.06 -0.60 -0.44 -0.89 0.00 0.00 0.00 179.25 177.37 2dnq n ILE 52 N -3.67 -0.51 -0.31 0.00 5.41 0.33 0.72 119.36 121.33 2dnq n ILE 52 Ca -0.05 1.89 0.03 0.00 1.00 0.00 0.00 62.75 65.62 2dnq n ILE 52 Cb 0.15 -2.35 0.10 0.00 -0.71 0.00 0.00 39.64 36.82 2dnq n ILE 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2dnq h ARG 53 N 0.00 -0.01 0.04 0.38 1.12 -1.56 0.27 114.38 114.62 2dnq h ARG 53 Ca 0.15 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.02 2dnq h ARG 53 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2dnq h ARG 53 CO -0.74 -0.01 -0.02 -0.91 -3.11 0.00 0.00 179.97 175.18 2dnq h ASN 54 N -0.01 -0.05 -0.70 -3.80 2.35 0.29 -3.31 115.58 110.36 2dnq h ASN 54 Ca 0.40 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 56.40 2dnq h ASN 54 Cb 0.63 0.01 -0.13 0.00 0.05 0.00 0.00 38.32 38.89 2dnq h ASN 54 CO -0.90 0.01 0.19 0.18 -1.65 0.00 0.00 177.43 175.26 2dnq n LEU 55 N -2.39 0.08 -4.74 1.61 4.77 0.11 -4.38 117.00 112.06 2dnq n LEU 55 Ca -0.01 1.18 -0.66 0.00 -0.03 0.00 0.00 56.01 56.49 2dnq n LEU 55 Cb 0.02 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 2dnq n LEU 55 CO 0.02 -1.25 1.17 1.57 -1.33 0.00 0.00 177.39 177.57 2dnq n HIS 56 N -4.77 1.80 -2.83 -1.77 -0.00 0.93 0.15 115.22 108.73 2dnq n HIS 56 Ca 0.21 1.03 -0.20 0.00 0.46 0.00 0.00 57.72 59.22 2dnq n HIS 56 Cb 0.72 -2.27 0.03 0.00 -0.12 0.00 0.00 29.99 28.34 2dnq n HIS 56 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2dnq n HIS 57 N 4.23 -1.62 -2.76 1.57 8.25 -0.17 -4.94 115.22 119.77 2dnq n HIS 57 Ca 0.30 0.39 -0.42 0.00 -0.26 0.00 0.00 57.72 57.72 2dnq n HIS 57 Cb -0.02 -4.09 -0.03 0.00 1.12 0.00 0.00 29.99 26.97 2dnq n HIS 57 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2dnq s TYR 58 N -3.09 3.29 -0.25 4.41 6.14 0.41 -4.80 117.35 123.47 2dnq s TYR 58 Ca 0.22 1.26 -0.30 0.00 0.64 0.00 0.00 57.07 58.89 2dnq s TYR 58 Cb -0.10 -3.25 -0.07 0.00 0.42 0.00 0.00 41.96 38.97 2dnq s TYR 58 CO 0.28 -0.50 2.21 1.17 0.64 0.00 0.00 175.55 179.34 2dnq n LYS 59 N 6.28 1.74 -3.70 4.97 4.81 -1.25 -3.85 118.16 127.16 2dnq n LYS 59 Ca 0.09 0.48 -0.30 0.00 -0.87 0.00 0.00 58.31 57.72 2dnq n LYS 59 Cb 0.47 -3.02 -0.13 0.00 0.02 0.00 0.00 35.03 32.37 2dnq n LYS 59 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2dnq s LEU 60 N 7.93 2.56 -0.37 3.14 2.96 -0.39 -4.82 118.68 129.69 2dnq s LEU 60 Ca 1.03 -2.50 -0.01 0.00 -0.22 0.00 0.00 54.13 52.43 2dnq s LEU 60 Cb -0.48 -0.98 0.00 0.00 0.50 0.00 0.00 46.19 45.23 2dnq s LEU 60 CO 0.39 -0.29 0.31 1.41 -1.32 0.00 0.00 176.35 176.86 2dnq n HIS 61 N 3.71 -0.72 -2.44 5.38 8.25 -1.26 -3.50 115.22 124.63 2dnq n HIS 61 Ca 0.08 0.28 -0.15 0.00 -0.26 0.00 0.00 57.72 57.67 2dnq n HIS 61 Cb 0.35 -2.61 0.00 0.00 1.12 0.00 0.00 29.99 28.85 2dnq n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dnq n GLY 62 N -1.00 -0.23 3.09 -1.41 0.00 -1.26 -5.01 105.19 99.36 2dnq n GLY 62 Ca -0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 2dnq n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dnq s VAL 63 N -2.83 0.34 -0.54 1.61 0.11 -1.23 -5.12 120.40 112.74 2dnq s VAL 63 Ca 0.07 -1.61 0.01 0.00 -2.93 0.00 0.00 61.98 57.52 2dnq s VAL 63 Cb -0.03 -1.24 0.14 0.00 -1.53 0.00 0.00 36.38 33.71 2dnq s VAL 63 CO 0.08 -0.82 0.31 0.20 -3.33 0.00 0.00 175.10 171.54 2dnq s ASN 64 N -2.56 4.80 0.47 3.54 -0.87 -1.26 -1.26 114.94 117.79 2dnq s ASN 64 Ca 0.02 -2.80 -0.23 0.00 -1.57 0.00 0.00 52.86 48.28 2dnq s ASN 64 Cb 0.02 -1.74 -0.07 0.00 -0.02 0.00 0.00 41.25 39.44 2dnq s ASN 64 CO -0.06 -0.32 1.21 0.27 -2.57 0.00 0.00 177.10 175.62 2dnq s ILE 65 N 0.01 2.91 -0.27 0.60 -4.36 -1.25 -4.80 121.20 114.04 2dnq s ILE 65 Ca 0.16 0.70 -0.08 0.00 -0.26 0.00 0.00 60.65 61.17 2dnq s ILE 65 Cb -0.23 -3.36 -0.02 0.00 1.25 0.00 0.00 42.46 40.11 2dnq s ILE 65 CO -0.02 0.00 0.09 0.20 0.24 0.00 0.00 174.94 175.45 2dnq s ASN 66 N -1.24 5.22 -0.15 4.36 0.01 -0.43 -1.00 114.94 121.72 2dnq s ASN 66 Ca 0.64 -0.37 -0.06 0.00 -0.71 0.00 0.00 52.86 52.36 2dnq s ASN 66 Cb -0.31 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 2dnq s ASN 66 CO 0.38 -0.10 0.06 -0.69 -1.51 0.00 0.00 177.10 175.24 2dnq s VAL 67 N 1.59 4.78 -0.27 1.60 1.01 -1.26 -1.65 120.40 126.20 2dnq s VAL 67 Ca 0.05 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 2dnq s VAL 67 Cb -0.16 -3.12 0.08 0.00 0.00 0.00 0.00 36.38 33.18 2dnq s VAL 67 CO 0.04 0.51 0.69 -1.83 0.00 0.00 0.00 175.10 174.51 2dnq s GLU 68 N -0.09 0.72 0.69 2.72 -1.05 -0.50 -4.85 118.70 116.34 2dnq s GLU 68 Ca 0.07 1.17 -0.17 0.00 -0.15 0.00 0.00 54.97 55.89 2dnq s GLU 68 Cb -0.12 0.19 -0.01 0.00 -0.44 0.00 0.00 34.13 33.75 2dnq s GLU 68 CO 0.01 -0.14 0.95 0.00 0.95 0.00 0.00 175.26 177.03 2dnq n ALA 69 N 3.99 -0.14 -3.40 -0.84 0.00 -1.26 -1.06 120.51 117.79 2dnq n ALA 69 Ca -0.19 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 2dnq n ALA 69 Cb 0.58 -2.11 -0.12 0.00 0.00 0.00 0.00 19.45 17.80 2dnq n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dnq s SER 70 N -1.51 5.29 -0.29 0.00 0.15 -1.24 -4.62 113.70 111.47 2dnq s SER 70 Ca 0.74 -1.37 -0.16 0.00 0.70 0.00 0.00 55.95 55.87 2dnq s SER 70 Cb -0.37 -1.86 0.16 0.00 -1.71 0.00 0.00 66.02 62.25 2dnq s SER 70 CO 0.49 -0.39 1.06 -0.75 1.20 0.00 0.00 173.24 174.85 2dnq s LYS 71 N 1.34 0.28 0.05 5.44 2.36 -1.26 -4.78 119.74 123.17 2dnq s LYS 71 Ca -0.00 0.49 -0.09 0.00 -2.55 0.00 0.00 55.97 53.82 2dnq s LYS 71 Cb -0.21 0.06 -0.02 0.00 -1.05 0.00 0.00 37.83 36.61 2dnq s LYS 71 CO 0.01 -0.06 0.91 -1.71 1.55 0.00 0.00 175.35 176.05 2dnq n ASN 72 N 3.54 -0.32 -4.84 1.43 2.85 -1.26 -4.28 115.26 112.37 2dnq n ASN 72 Ca -0.18 0.98 -0.36 0.00 -0.11 0.00 0.00 54.58 54.91 2dnq n ASN 72 Cb 0.57 -0.29 -0.06 0.00 1.24 0.00 0.00 39.78 41.24 2dnq n ASN 72 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2dnq s LYS 73 N -3.95 3.96 -0.29 1.20 2.20 -1.26 -5.07 119.74 116.53 2dnq s LYS 73 Ca -0.04 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.99 2dnq s LYS 73 Cb 0.03 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.37 2dnq s LYS 73 CO 0.18 0.53 0.02 0.45 -0.36 0.00 0.00 175.35 176.18 2dnq s SER 74 N -1.59 4.86 -0.83 1.43 0.15 -1.26 -5.05 113.70 111.41 2dnq s SER 74 Ca 0.34 -0.98 -0.24 0.00 0.70 0.00 0.00 55.95 55.78 2dnq s SER 74 Cb -0.15 -1.77 0.06 0.00 -1.71 0.00 0.00 66.02 62.44 2dnq s SER 74 CO 0.18 -0.21 1.24 -0.75 1.20 0.00 0.00 173.24 174.90 2dnq s LYS 75 N 1.37 3.34 -0.59 5.44 2.20 -1.26 -4.91 119.74 125.33 2dnq s LYS 75 Ca -0.01 -0.81 0.04 0.00 -0.36 0.00 0.00 55.97 54.83 2dnq s LYS 75 Cb -0.18 -4.62 0.17 0.00 -1.51 0.00 0.00 37.83 31.68 2dnq s LYS 75 CO -0.00 -2.05 0.43 0.00 -0.36 0.00 0.00 175.35 173.36 2dnq s ALA 76 N 4.78 2.88 -0.99 3.13 0.00 -1.26 -4.83 121.76 125.46 2dnq s ALA 76 Ca 0.35 -3.29 -0.05 0.00 0.00 0.00 0.00 51.96 48.98 2dnq s ALA 76 Cb -0.07 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.10 2dnq s ALA 76 CO 0.04 -2.05 0.86 0.45 0.00 0.00 0.00 175.76 175.05 2dnq n SER 77 N 2.36 -4.32 -3.56 0.00 2.88 -1.26 -5.01 113.62 104.71 2dnq n SER 77 Ca 0.23 -0.43 -0.25 0.00 -1.33 0.00 0.00 58.87 57.09 2dnq n SER 77 Cb 0.39 -3.96 -0.15 0.00 -0.75 0.00 0.00 64.21 59.75 2dnq n SER 77 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnq s SER 78 N -3.48 2.45 0.00 -3.46 0.15 -1.26 -5.12 113.70 102.98 2dnq s SER 78 Ca 0.31 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2dnq s SER 78 Cb -0.14 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2dnq s SER 78 CO 0.55 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2dnq n GLY 79 N 5.28 1.33 2.26 9.45 0.00 -1.26 -4.95 105.19 117.30 2dnq n GLY 79 Ca -0.06 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 2dnq n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dnq n PRO 80 N -0.10 2.63 0.29 1.61 -0.04 -1.26 -4.53 135.00 133.60 2dnq n PRO 80 Ca 0.00 -1.53 0.18 0.00 -0.04 0.00 0.00 63.50 62.11 2dnq n PRO 80 Cb 0.00 -2.39 0.78 0.00 -0.04 0.00 0.00 33.50 31.86 2dnq n PRO 80 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dnq h SER 81 N 4.54 0.00 -3.77 3.54 4.64 -2.03 -3.40 113.55 117.06 2dnq h SER 81 Ca 0.52 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 61.20 2dnq h SER 81 Cb 0.70 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.61 2dnq h SER 81 CO 1.10 0.02 -0.55 -0.94 -0.87 0.00 0.00 176.83 175.59 2dnq s SER 82 N -5.64 5.78 0.00 4.97 1.04 -1.26 -5.32 113.70 113.27 2dnq s SER 82 Ca -0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2dnq s SER 82 Cb 0.10 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.16 2dnq s SER 82 CO 0.53 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.33