#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnq s SER -5 N 0.00 3.27 0.43 1.61 0.01 -1.26 -5.12 113.70 112.64 2dnq s SER -5 Ca 0.00 -0.78 -0.22 0.00 1.31 0.00 0.00 55.95 56.26 2dnq s SER -5 Cb 0.00 -1.33 -0.09 0.00 0.21 0.00 0.00 66.02 64.81 2dnq s SER -5 CO 0.00 -0.09 1.05 -0.44 0.41 0.00 0.00 173.24 174.17 2dnq s SER -4 N 1.35 6.58 0.00 2.44 0.01 -1.26 -4.96 113.70 117.87 2dnq s SER -4 Ca 0.01 2.00 0.00 0.00 1.31 0.00 0.00 55.95 59.27 2dnq s SER -4 Cb -0.15 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2dnq s SER -4 CO -0.10 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.55 2dnq n GLY -3 N 0.11 -0.42 0.08 3.44 0.00 -1.26 -5.05 105.19 102.09 2dnq n GLY -3 Ca 0.07 0.39 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 2dnq n GLY -3 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dnq h SER -2 N 0.00 0.13 -1.26 1.61 0.02 -2.00 -3.33 113.55 108.71 2dnq h SER -2 Ca 0.00 -0.96 -0.68 0.00 -0.84 0.00 0.00 61.79 59.31 2dnq h SER -2 Cb 0.00 -0.04 -0.27 0.00 0.14 0.00 0.00 62.40 62.23 2dnq h SER -2 CO 0.00 1.08 0.89 -1.54 -1.14 0.00 0.00 176.83 176.12 2dnq n SER -1 N -4.49 7.56 -4.91 3.07 3.41 -1.26 -4.97 113.62 112.02 2dnq n SER -1 Ca -0.11 -3.74 -0.27 0.00 -0.26 0.00 0.00 58.87 54.49 2dnq n SER -1 Cb 0.56 -1.02 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 2dnq n SER -1 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dnq s GLY 0 N -1.43 1.79 1.03 5.00 0.00 -1.25 -5.08 107.32 107.38 2dnq s GLY 0 Ca 0.59 -1.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.06 2dnq s GLY 0 CO -0.14 -1.03 -0.75 1.15 0.00 0.00 0.00 173.10 172.34 2dnq n MET 1 N -0.36 -0.52 -3.81 2.90 -0.00 -1.26 -4.75 117.12 109.32 2dnq n MET 1 Ca -0.07 -0.14 -0.25 0.00 -0.00 0.00 0.00 57.70 57.24 2dnq n MET 1 Cb 0.54 -1.30 -0.17 0.00 -0.00 0.00 0.00 33.22 32.28 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 -2.11 0.60 0.41 3.17 1.01 -1.08 -4.95 120.40 117.45 2dnq s VAL 2 Ca 0.45 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 2dnq s VAL 2 Cb -0.04 -0.75 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 2dnq s VAL 2 CO 0.69 0.25 0.84 -0.75 0.00 0.00 0.00 175.10 176.13 2dnq s LYS 3 N 1.88 3.96 -0.04 2.72 2.20 -1.26 -0.91 119.74 128.28 2dnq s LYS 3 Ca 0.04 0.75 0.04 0.00 -0.36 0.00 0.00 55.97 56.44 2dnq s LYS 3 Cb -0.13 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 2dnq s LYS 3 CO -0.06 -0.04 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.23 2dnq s LEU 4 N -3.54 1.84 -0.27 5.43 1.43 0.28 -2.78 118.68 121.07 2dnq s LEU 4 Ca 0.56 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 2dnq s LEU 4 Cb -0.10 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 2dnq s LEU 4 CO 0.24 0.11 0.40 0.12 0.23 0.00 0.00 176.35 177.46 2dnq s PHE 5 N 0.19 3.25 -0.14 0.29 2.19 0.85 -2.07 117.98 122.54 2dnq s PHE 5 Ca -0.06 0.43 0.03 0.00 0.33 0.00 0.00 56.93 57.66 2dnq s PHE 5 Cb -0.12 -2.61 0.01 0.00 -1.31 0.00 0.00 43.02 38.99 2dnq s PHE 5 CO 0.02 -0.26 -0.22 0.42 1.83 0.00 0.00 175.22 177.02 2dnq s ILE 6 N 2.12 2.02 0.46 3.12 1.01 -0.11 -0.06 121.20 129.77 2dnq s ILE 6 Ca 0.16 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.88 2dnq s ILE 6 Cb -0.16 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2dnq s ILE 6 CO 0.10 0.54 0.05 -0.83 0.00 0.00 0.00 174.94 174.80 2dnq s GLY 7 N 0.80 2.81 -1.32 6.18 0.00 -0.80 -0.21 107.32 114.78 2dnq s GLY 7 Ca -0.08 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.71 2dnq s GLY 7 CO -0.01 -2.05 0.97 -2.01 0.00 0.00 0.00 173.10 170.00 2dnq n ASN 8 N -1.23 -3.34 -4.83 1.64 5.15 -1.22 -2.54 115.26 108.90 2dnq n ASN 8 Ca -0.13 -0.67 -0.37 0.00 -0.60 0.00 0.00 54.58 52.81 2dnq n ASN 8 Cb 0.66 -4.67 -0.06 0.00 -0.53 0.00 0.00 39.78 35.19 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 -6.81 4.42 0.00 1.20 1.43 -1.25 -4.27 118.68 113.39 2dnq s LEU 9 Ca 0.25 1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2dnq s LEU 9 Cb -0.11 -3.14 0.03 0.00 0.03 0.00 0.00 46.19 42.99 2dnq s LEU 9 CO 0.76 0.17 0.13 -0.81 0.23 0.00 0.00 176.35 176.84 2dnq n PRO 10 N 1.19 -0.41 -0.02 1.29 -0.04 -1.26 -4.88 135.00 130.86 2dnq n PRO 10 Ca -0.07 -0.21 -0.06 0.00 -0.04 0.00 0.00 63.50 63.12 2dnq n PRO 10 Cb 0.51 -0.15 -0.13 0.00 -0.04 0.00 0.00 33.50 33.69 2dnq n PRO 10 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dnq n ARG 11 N -1.43 0.64 0.19 0.54 1.74 -1.26 -4.01 116.66 113.06 2dnq n ARG 11 Ca 0.02 0.24 0.08 0.00 -0.77 0.00 0.00 57.85 57.41 2dnq n ARG 11 Cb 0.06 -1.76 0.24 0.00 -1.02 0.00 0.00 32.46 29.98 2dnq n ARG 11 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2dnq h GLU 12 N 0.00 0.00 -6.44 5.56 3.07 -1.96 -3.45 114.58 111.35 2dnq h GLU 12 Ca -0.28 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 57.96 2dnq h GLU 12 Cb 1.92 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 29.90 2dnq h GLU 12 CO 0.06 0.28 0.54 0.00 -1.40 0.00 0.00 179.01 178.50 2dnq n ALA 13 N -2.19 0.29 -2.59 3.43 0.00 -1.26 -4.99 120.51 113.20 2dnq n ALA 13 Ca 0.02 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 2dnq n ALA 13 Cb 0.57 -2.19 -0.12 0.00 0.00 0.00 0.00 19.45 17.71 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 0.25 1.34 0.30 0.00 -4.23 -1.26 -4.98 115.64 107.06 2dnq s THR 14 Ca 0.75 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 59.81 2dnq s THR 14 Cb -0.77 -1.35 0.30 0.00 1.34 0.00 0.00 72.50 72.02 2dnq s THR 14 CO 0.47 -0.25 1.68 -0.33 -0.54 0.00 0.00 174.62 175.64 2dnq h GLU 15 N 3.96 0.33 0.64 3.99 5.08 -1.94 -0.65 114.58 126.00 2dnq h GLU 15 Ca -0.42 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 2dnq h GLU 15 Cb 1.19 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.37 2dnq h GLU 15 CO 0.44 0.22 -0.31 -0.56 -1.00 0.00 0.00 179.01 177.79 2dnq h GLN 16 N 0.33 -0.83 -0.80 2.33 3.07 -1.96 0.25 115.11 117.51 2dnq h GLN 16 Ca 0.60 0.06 0.19 0.00 0.09 0.00 0.00 58.65 59.58 2dnq h GLN 16 Cb 1.21 0.19 -0.13 0.00 0.08 0.00 0.00 27.48 28.83 2dnq h GLN 16 CO -0.58 -0.51 0.15 0.93 0.09 0.00 0.00 178.83 178.91 2dnq h GLU 17 N -1.07 0.19 0.50 0.06 5.08 -1.68 0.14 114.58 117.80 2dnq h GLU 17 Ca -0.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2dnq h GLU 17 Cb 0.70 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dnq h GLU 17 CO 0.14 0.13 -0.24 0.82 -1.00 0.00 0.00 179.01 178.86 2dnq h ILE 18 N 0.20 0.04 -0.79 3.13 1.08 -1.11 -2.92 117.51 117.13 2dnq h ILE 18 Ca 0.47 -0.52 0.14 0.00 -0.39 0.00 0.00 64.86 64.56 2dnq h ILE 18 Cb 0.86 0.06 -0.14 0.00 -3.07 0.00 0.00 36.82 34.53 2dnq h ILE 18 CO -0.61 0.01 -0.29 -0.09 -0.69 0.00 0.00 178.15 176.47 2dnq h ARG 19 N -1.17 -0.05 -0.01 2.37 2.43 0.00 -0.58 114.38 117.37 2dnq h ARG 19 Ca -0.07 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2dnq h ARG 19 Cb 0.53 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 2dnq h ARG 19 CO 0.11 -0.04 -0.39 0.77 -1.51 0.00 0.00 179.97 178.92 2dnq h SER 20 N -0.05 -1.17 -0.98 -3.80 0.02 -0.83 0.71 113.55 107.45 2dnq h SER 20 Ca 0.33 0.15 0.36 0.00 -0.84 0.00 0.00 61.79 61.78 2dnq h SER 20 Cb 0.59 0.46 -0.18 0.00 0.14 0.00 0.00 62.40 63.41 2dnq h SER 20 CO -0.83 -0.43 0.33 0.18 -1.14 0.00 0.00 176.83 174.94 2dnq n LEU 21 N -5.44 0.17 0.07 5.07 4.77 -0.25 0.23 117.00 121.62 2dnq n LEU 21 Ca -0.05 1.63 -0.06 0.00 -0.03 0.00 0.00 56.01 57.50 2dnq n LEU 21 Cb 0.36 -0.72 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 2dnq n LEU 21 CO 0.17 -1.76 0.18 -0.26 -1.33 0.00 0.00 177.39 174.38 2dnq h PHE 22 N 0.00 0.00 -0.01 -1.77 0.04 -0.99 -3.21 116.94 111.01 2dnq h PHE 22 Ca 0.74 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.51 2dnq h PHE 22 Cb 1.82 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.97 2dnq h PHE 22 CO -0.20 0.94 0.03 0.93 -0.60 0.00 0.00 178.31 179.41 2dnq h GLU 23 N 0.00 0.00 0.00 1.51 5.08 0.52 0.13 114.58 121.82 2dnq h GLU 23 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dnq h GLU 23 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2dnq h GLU 23 CO 0.12 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 180.09 2dnq h GLN 24 N 0.00 0.00 0.00 2.33 4.20 -1.39 -3.08 115.11 117.17 2dnq h GLN 24 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dnq h GLN 24 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2dnq h GLN 24 CO -0.00 0.00 -0.06 0.66 -0.67 0.00 0.00 178.83 178.76 2dnq n TYR 25 N -2.85 0.00 0.00 2.96 4.02 0.34 -5.06 117.16 116.57 2dnq n TYR 25 Ca 0.02 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.27 2dnq n TYR 25 Cb 0.36 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 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 -0.85 4.37 3.50 2.72 0.00 -0.56 -4.45 105.19 109.93 2dnq n GLY 26 Ca 0.08 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.83 0.46 -4.45 1.61 4.81 -1.26 -3.29 118.16 115.20 2dnq n LYS 27 Ca 0.00 0.19 -0.34 0.00 -0.87 0.00 0.00 58.31 57.29 2dnq n LYS 27 Cb 0.00 -1.87 -0.11 0.00 0.02 0.00 0.00 35.03 33.08 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 -1.79 4.01 -0.16 3.15 1.01 -1.26 -2.14 120.40 123.22 2dnq s VAL 28 Ca 0.69 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 2dnq s VAL 28 Cb -0.39 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.22 2dnq s VAL 28 CO 0.55 0.57 -0.05 -0.07 0.00 0.00 0.00 175.10 176.09 2dnq h LEU 29 N 5.66 0.00 -8.26 3.92 3.38 -0.93 -3.49 115.31 115.59 2dnq h LEU 29 Ca -0.44 -0.16 -0.40 0.00 0.09 0.00 0.00 57.88 56.97 2dnq h LEU 29 Cb 1.18 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.69 2dnq h LEU 29 CO 0.56 0.99 -0.78 -1.61 0.09 0.00 0.00 178.44 177.70 2dnq s GLU 30 N -2.27 0.79 -0.09 1.13 2.02 -1.25 -4.99 118.70 114.04 2dnq s GLU 30 Ca -0.19 -0.71 -0.04 0.00 0.02 0.00 0.00 54.97 54.05 2dnq s GLU 30 Cb 0.03 -0.75 0.05 0.00 0.10 0.00 0.00 34.13 33.56 2dnq s GLU 30 CO 0.34 0.18 0.18 0.00 0.02 0.00 0.00 175.26 175.98 2dnq s ASP 32 N 2.07 1.47 -0.23 0.00 -1.08 -0.86 -4.97 116.67 113.07 2dnq s ASP 32 Ca -0.00 -1.05 -0.03 0.00 -0.52 0.00 0.00 52.55 50.94 2dnq s ASP 32 Cb -0.12 0.05 0.11 0.00 -1.46 0.00 0.00 42.92 41.50 2dnq s ASP 32 CO -0.07 -0.43 0.27 -0.63 0.52 0.00 0.00 175.17 174.84 2dnq s ILE 33 N -3.49 -0.41 0.19 4.11 1.01 -1.26 -1.39 121.20 119.97 2dnq s ILE 33 Ca 0.17 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 2dnq s ILE 33 Cb 0.04 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 2dnq s ILE 33 CO -0.00 -0.22 0.32 -0.63 0.00 0.00 0.00 174.94 174.41 2dnq s ILE 34 N 2.39 0.04 -1.00 2.92 1.01 0.21 -4.91 121.20 121.86 2dnq s ILE 34 Ca 0.09 -1.49 -0.13 0.00 0.00 0.00 0.00 60.65 59.12 2dnq s ILE 34 Cb -0.15 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2dnq s ILE 34 CO -0.16 -0.16 0.24 0.29 0.00 0.00 0.00 174.94 175.15 2dnq n LYS 35 N -0.27 -0.69 -4.11 2.79 5.02 -1.26 0.19 118.16 119.82 2dnq n LYS 35 Ca -0.04 -0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 2dnq n LYS 35 Cb 0.63 -2.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.64 -1.58 -3.63 4.39 3.02 -1.26 -4.94 115.26 109.62 2dnq n ASN 36 Ca -0.16 -1.03 -0.15 0.00 -0.03 0.00 0.00 54.58 53.21 2dnq n ASN 36 Cb 0.45 -2.79 -0.07 0.00 -0.61 0.00 0.00 39.78 36.77 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 -3.69 -0.39 -0.01 3.10 -0.85 0.49 -3.40 117.35 112.60 2dnq s TYR 37 Ca 0.34 0.57 0.02 0.00 -0.52 0.00 0.00 57.07 57.48 2dnq s TYR 37 Cb -0.19 0.26 -0.00 0.00 0.38 0.00 0.00 41.96 42.41 2dnq s TYR 37 CO 0.92 -0.54 -0.07 0.20 -1.52 0.00 0.00 175.55 174.54 2dnq s GLY 38 N -1.51 0.36 -0.17 5.49 0.00 0.71 0.65 107.32 112.84 2dnq s GLY 38 Ca -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.33 2dnq s GLY 38 CO 0.04 -0.14 -0.06 -1.36 0.00 0.00 0.00 173.10 171.58 2dnq s PHE 39 N 0.01 2.95 -0.15 1.90 0.08 -0.48 -0.93 117.98 121.35 2dnq s PHE 39 Ca 0.00 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.48 2dnq s PHE 39 Cb -0.05 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 2dnq s PHE 39 CO -0.00 -0.25 -0.17 0.08 -0.10 0.00 0.00 175.22 174.78 2dnq s VAL 40 N 0.73 1.73 -0.69 -0.44 1.01 -0.88 -2.03 120.40 119.83 2dnq s VAL 40 Ca -0.03 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 2dnq s VAL 40 Cb -0.15 -1.59 0.18 0.00 0.00 0.00 0.00 36.38 34.83 2dnq s VAL 40 CO 0.02 0.49 0.59 -1.00 0.00 0.00 0.00 175.10 175.20 2dnq s HIS 41 N 1.24 3.57 0.88 5.22 0.09 -0.69 0.98 115.29 126.58 2dnq s HIS 41 Ca 0.01 -2.07 -0.11 0.00 -0.00 0.00 0.00 55.06 52.89 2dnq s HIS 41 Cb -0.14 -3.62 0.12 0.00 -0.00 0.00 0.00 32.58 28.94 2dnq s HIS 41 CO -0.08 -0.96 1.09 -1.50 -0.00 0.00 0.00 174.74 173.29 2dnq s ILE 42 N 0.46 2.75 0.00 0.60 2.07 -0.09 -0.27 121.20 126.72 2dnq s ILE 42 Ca 0.14 0.24 -0.04 0.00 -1.41 0.00 0.00 60.65 59.59 2dnq s ILE 42 Cb -0.17 -2.74 -0.02 0.00 0.13 0.00 0.00 42.46 39.65 2dnq s ILE 42 CO -0.05 -0.32 0.78 -0.08 -1.91 0.00 0.00 174.94 173.36 2dnq h GLU 43 N -1.48 -0.13 -6.30 3.50 4.57 -1.72 -2.85 114.58 110.18 2dnq h GLU 43 Ca -0.49 0.01 -0.64 0.00 -1.18 0.00 0.00 59.36 57.07 2dnq h GLU 43 Cb 1.28 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 29.79 2dnq h GLU 43 CO 0.54 -0.09 -0.64 0.34 -1.18 0.00 0.00 179.01 177.99 2dnq s ASP 44 N -2.57 5.15 0.04 1.04 2.15 -1.26 -4.24 116.67 116.98 2dnq s ASP 44 Ca -0.02 -0.16 -0.18 0.00 0.43 0.00 0.00 52.55 52.62 2dnq s ASP 44 Cb 0.00 -1.26 -0.09 0.00 -0.30 0.00 0.00 42.92 41.27 2dnq s ASP 44 CO 0.06 0.15 1.27 0.50 -0.17 0.00 0.00 175.17 176.99 2dnq h LYS 45 N 3.22 -0.56 -1.73 4.34 3.11 -1.88 -2.24 116.57 120.83 2dnq h LYS 45 Ca -0.47 0.04 0.51 0.00 -2.81 0.00 0.00 60.65 57.92 2dnq h LYS 45 Cb 1.17 0.13 -0.08 0.00 -1.00 0.00 0.00 32.23 32.45 2dnq h LYS 45 CO 0.61 -0.37 1.23 1.15 -2.81 0.00 0.00 179.45 179.26 2dnq h THR 46 N -0.58 0.09 -0.66 1.00 2.02 -1.99 1.03 112.91 113.83 2dnq h THR 46 Ca -0.05 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 2dnq h THR 46 Cb 0.47 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2dnq h THR 46 CO 0.04 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.25 2dnq h ALA 47 N 1.18 0.85 0.21 6.16 0.00 -1.65 -3.10 119.26 122.90 2dnq h ALA 47 Ca 0.86 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.62 2dnq h ALA 47 Cb 3.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 20.86 2dnq h ALA 47 CO -0.08 0.41 -0.10 0.00 0.00 0.00 0.00 179.25 179.48 2dnq h ALA 48 N 1.14 -0.29 -0.69 0.00 0.00 0.12 -3.22 119.26 116.33 2dnq h ALA 48 Ca 0.23 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2dnq h ALA 48 Cb 0.12 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2dnq h ALA 48 CO -0.03 -0.57 -0.41 0.39 0.00 0.00 0.00 179.25 178.64 2dnq n GLU 49 N -5.13 -0.30 -0.22 0.00 1.02 -1.13 0.97 120.64 115.85 2dnq n GLU 49 Ca -0.09 1.07 -0.01 0.00 -0.02 0.00 0.00 57.16 58.10 2dnq n GLU 49 Cb 0.20 -1.57 0.06 0.00 -0.02 0.00 0.00 31.44 30.10 2dnq n GLU 49 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2dnq h ASP 50 N 0.00 -0.71 0.36 1.62 3.58 -1.58 -1.35 116.42 118.34 2dnq h ASP 50 Ca 0.11 0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 2dnq h ASP 50 Cb 0.28 0.44 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2dnq h ASP 50 CO -0.65 -0.23 -0.17 0.00 -2.88 0.00 0.00 179.24 175.30 2dnq h ALA 51 N 1.53 -0.76 -0.26 -0.78 0.00 0.57 -3.21 119.26 116.35 2dnq h ALA 51 Ca 0.30 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2dnq h ALA 51 Cb 0.49 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2dnq h ALA 51 CO -0.67 -0.73 -0.15 -0.89 0.00 0.00 0.00 179.25 176.81 2dnq n ILE 52 N -3.89 -0.17 -0.35 0.00 5.41 0.19 0.23 119.36 120.78 2dnq n ILE 52 Ca -0.06 1.28 -0.02 0.00 1.00 0.00 0.00 62.75 64.95 2dnq n ILE 52 Cb 0.19 -1.65 0.02 0.00 -0.71 0.00 0.00 39.64 37.50 2dnq n ILE 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2dnq n ARG 53 N -3.49 -0.23 0.00 0.38 0.63 -0.53 0.05 116.66 113.47 2dnq n ARG 53 Ca 0.01 1.37 0.00 0.00 -0.92 0.00 0.00 57.85 58.31 2dnq n ARG 53 Cb 0.07 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 30.94 2dnq n ARG 53 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2dnq n ASN 54 N -5.30 0.00 -0.18 6.15 3.02 0.14 -3.50 115.26 115.60 2dnq n ASN 54 Ca 0.08 0.61 0.17 0.00 -0.03 0.00 0.00 54.58 55.41 2dnq n ASN 54 Cb 0.35 -0.33 0.31 0.00 -0.61 0.00 0.00 39.78 39.50 2dnq n ASN 54 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2dnq n LEU 55 N -1.48 0.17 -4.66 3.41 4.77 0.11 -4.31 117.00 115.01 2dnq n LEU 55 Ca 0.00 0.92 -0.51 0.00 -0.03 0.00 0.00 56.01 56.39 2dnq n LEU 55 Cb 0.00 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 2dnq n LEU 55 CO 0.00 -1.02 1.19 1.57 -1.33 0.00 0.00 177.39 177.80 2dnq n HIS 56 N -4.29 1.99 -2.97 -1.77 -0.00 0.11 -0.46 115.22 107.83 2dnq n HIS 56 Ca 0.20 0.40 -0.20 0.00 0.46 0.00 0.00 57.72 58.58 2dnq n HIS 56 Cb 0.69 -2.48 0.04 0.00 -0.12 0.00 0.00 29.99 28.12 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 4.27 -1.79 -3.16 1.57 8.25 -0.58 -4.96 115.22 118.81 2dnq n HIS 57 Ca 0.21 0.50 -0.34 0.00 -0.26 0.00 0.00 57.72 57.83 2dnq n HIS 57 Cb 0.22 -4.11 -0.06 0.00 1.12 0.00 0.00 29.99 27.15 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 -3.12 3.51 -0.57 4.41 5.04 0.40 -4.84 117.35 122.18 2dnq s TYR 58 Ca 0.29 1.25 -0.23 0.00 -2.44 0.00 0.00 57.07 55.94 2dnq s TYR 58 Cb -0.13 -2.53 0.05 0.00 0.35 0.00 0.00 41.96 39.70 2dnq s TYR 58 CO 0.36 0.24 0.90 0.21 -1.34 0.00 0.00 175.55 175.92 2dnq s LYS 59 N -2.45 3.24 -0.53 4.97 2.20 -1.25 -2.66 119.74 123.27 2dnq s LYS 59 Ca 0.47 -0.50 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 2dnq s LYS 59 Cb -0.13 -4.10 0.13 0.00 -1.51 0.00 0.00 37.83 32.21 2dnq s LYS 59 CO 0.19 -1.53 0.28 -1.17 -0.36 0.00 0.00 175.35 172.76 2dnq s LEU 60 N 3.78 4.24 -0.34 5.43 2.96 -0.40 -4.75 118.68 129.59 2dnq s LEU 60 Ca 0.26 -3.06 -0.01 0.00 -0.22 0.00 0.00 54.13 51.10 2dnq s LEU 60 Cb -0.15 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2dnq s LEU 60 CO 0.16 -0.22 0.29 1.41 -1.32 0.00 0.00 176.35 176.67 2dnq n HIS 61 N 3.04 -0.66 -2.52 5.38 8.25 -1.26 -3.59 115.22 123.85 2dnq n HIS 61 Ca 0.06 0.26 -0.14 0.00 -0.26 0.00 0.00 57.72 57.64 2dnq n HIS 61 Cb 0.32 -2.60 0.01 0.00 1.12 0.00 0.00 29.99 28.84 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 -0.16 3.01 -1.41 0.00 -1.26 -5.02 105.19 99.36 2dnq n GLY 62 Ca -0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.84 0.37 -0.95 1.61 0.11 -1.24 -5.10 120.40 112.37 2dnq s VAL 63 Ca 0.11 -0.87 -0.05 0.00 -2.93 0.00 0.00 61.98 58.24 2dnq s VAL 63 Cb -0.05 -0.44 0.24 0.00 -1.53 0.00 0.00 36.38 34.60 2dnq s VAL 63 CO 0.13 -0.34 0.87 0.20 -3.33 0.00 0.00 175.10 172.64 2dnq s ASN 64 N -1.28 6.46 0.89 3.54 -0.87 -1.26 -1.27 114.94 121.14 2dnq s ASN 64 Ca -0.10 -3.57 -0.10 0.00 -1.57 0.00 0.00 52.86 47.52 2dnq s ASN 64 Cb -0.08 -2.03 0.13 0.00 -0.02 0.00 0.00 41.25 39.25 2dnq s ASN 64 CO -0.00 -0.25 1.13 0.27 -2.57 0.00 0.00 177.10 175.68 2dnq s ILE 65 N -1.16 2.35 -0.07 0.60 -4.36 -1.09 -4.78 121.20 112.70 2dnq s ILE 65 Ca 0.27 0.11 0.04 0.00 -0.26 0.00 0.00 60.65 60.82 2dnq s ILE 65 Cb -0.09 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.37 2dnq s ILE 65 CO -0.10 -0.15 -0.20 0.20 0.24 0.00 0.00 174.94 174.93 2dnq s ASN 66 N -2.84 2.56 -0.15 4.36 0.01 -1.05 -1.52 114.94 116.30 2dnq s ASN 66 Ca 0.65 -0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 52.35 2dnq s ASN 66 Cb -0.21 -0.98 -0.01 0.00 0.41 0.00 0.00 41.25 40.45 2dnq s ASN 66 CO 0.58 0.14 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.51 2dnq s VAL 67 N 0.25 3.14 -0.02 1.60 1.01 -1.26 -1.90 120.40 123.22 2dnq s VAL 67 Ca -0.12 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2dnq s VAL 67 Cb -0.15 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2dnq s VAL 67 CO 0.05 0.51 -0.14 -1.61 0.00 0.00 0.00 175.10 173.91 2dnq s GLU 68 N 0.53 1.25 -0.82 2.72 8.01 0.91 -4.82 118.70 126.48 2dnq s GLU 68 Ca -0.08 -0.52 -0.25 0.00 0.01 0.00 0.00 54.97 54.14 2dnq s GLU 68 Cb -0.15 -1.18 0.01 0.00 -4.31 0.00 0.00 34.13 28.49 2dnq s GLU 68 CO 0.04 0.29 1.61 0.00 0.01 0.00 0.00 175.26 177.20 2dnq s ALA 69 N -0.24 2.36 0.16 5.21 0.00 -1.26 -0.11 121.76 127.88 2dnq s ALA 69 Ca 0.04 -1.49 -0.33 0.00 0.00 0.00 0.00 51.96 50.18 2dnq s ALA 69 Cb -0.07 -4.41 -0.16 0.00 0.00 0.00 0.00 23.12 18.49 2dnq s ALA 69 CO -0.00 -3.86 1.25 0.45 0.00 0.00 0.00 175.76 173.60 2dnq n SER 70 N 11.04 1.65 -3.22 0.00 2.88 -1.12 -4.89 113.62 119.96 2dnq n SER 70 Ca 0.24 1.13 -0.01 0.00 -1.33 0.00 0.00 58.87 58.90 2dnq n SER 70 Cb 0.50 -1.24 -0.03 0.00 -0.75 0.00 0.00 64.21 62.68 2dnq n SER 70 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dnq s LYS 71 N -0.14 0.49 0.47 -1.46 1.02 -1.26 -4.68 119.74 114.18 2dnq s LYS 71 Ca 0.75 0.75 -0.24 0.00 0.02 0.00 0.00 55.97 57.26 2dnq s LYS 71 Cb -0.84 0.16 -0.07 0.00 -0.52 0.00 0.00 37.83 36.56 2dnq s LYS 71 CO 0.50 -0.71 1.27 -0.80 -0.92 0.00 0.00 175.35 174.69 2dnq s ASN 72 N 2.74 5.95 0.19 2.83 -0.87 -1.26 -5.04 114.94 119.48 2dnq s ASN 72 Ca 0.16 2.56 -0.08 0.00 -1.57 0.00 0.00 52.86 53.94 2dnq s ASN 72 Cb -0.14 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 38.45 2dnq s ASN 72 CO -0.21 -1.09 0.28 -0.75 -2.57 0.00 0.00 177.10 172.76 2dnq s LYS 73 N -2.60 1.24 -0.28 -0.60 2.20 -1.26 -5.15 119.74 113.29 2dnq s LYS 73 Ca 0.64 -1.30 -0.19 0.00 -0.36 0.00 0.00 55.97 54.76 2dnq s LYS 73 Cb -0.35 0.37 0.11 0.00 -1.51 0.00 0.00 37.83 36.44 2dnq s LYS 73 CO 0.44 -0.45 0.84 -1.54 -0.36 0.00 0.00 175.35 174.28 2dnq s SER 74 N -3.02 -0.69 0.11 1.43 1.04 -1.26 -5.18 113.70 106.12 2dnq s SER 74 Ca 0.23 1.17 0.03 0.00 0.48 0.00 0.00 55.95 57.86 2dnq s SER 74 Cb 0.03 1.26 -0.04 0.00 0.10 0.00 0.00 66.02 67.37 2dnq s SER 74 CO 0.05 -0.19 -0.08 -1.59 0.98 0.00 0.00 173.24 172.40 2dnq s LYS 75 N 1.11 0.88 -0.28 4.02 0.00 -1.26 -5.15 119.74 119.07 2dnq s LYS 75 Ca -0.06 -1.31 -0.19 0.00 0.00 0.00 0.00 55.97 54.41 2dnq s LYS 75 Cb -0.05 -0.38 0.10 0.00 0.00 0.00 0.00 37.83 37.50 2dnq s LYS 75 CO -0.13 0.03 0.81 0.00 0.00 0.00 0.00 175.35 176.06 2dnq s ALA 76 N -3.22 -1.96 -0.60 0.59 0.00 -1.26 -5.12 121.76 110.19 2dnq s ALA 76 Ca 0.11 2.21 -0.21 0.00 0.00 0.00 0.00 51.96 54.07 2dnq s ALA 76 Cb 0.02 -1.44 0.08 0.00 0.00 0.00 0.00 23.12 21.78 2dnq s ALA 76 CO -0.02 -0.34 0.81 0.45 0.00 0.00 0.00 175.76 176.66 2dnq s SER 77 N 1.09 6.20 0.27 0.00 0.15 -1.26 -5.00 113.70 115.15 2dnq s SER 77 Ca -0.06 -1.05 -0.01 0.00 0.70 0.00 0.00 55.95 55.53 2dnq s SER 77 Cb -0.05 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2dnq s SER 77 CO -0.12 -1.21 0.29 -0.94 1.20 0.00 0.00 173.24 172.46 2dnq s SER 78 N 3.38 0.67 0.00 5.45 1.04 -1.26 -5.11 113.70 117.87 2dnq s SER 78 Ca 0.18 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2dnq s SER 78 Cb -0.19 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2dnq s SER 78 CO 0.10 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2dnq n GLY 79 N -0.44 -1.23 3.84 7.32 0.00 -1.26 -5.17 105.19 108.24 2dnq n GLY 79 Ca 0.03 0.50 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 2dnq n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnq s PRO 80 N 0.00 2.21 0.39 1.61 0.04 -1.26 -5.06 135.00 132.93 2dnq s PRO 80 Ca 0.00 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 2dnq s PRO 80 Cb 0.00 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2dnq s PRO 80 CO 0.00 -1.49 0.76 -1.54 0.04 0.00 0.00 177.00 174.77 2dnq s SER 81 N -4.16 6.56 -0.19 6.66 1.04 -1.26 -5.08 113.70 117.27 2dnq s SER 81 Ca 0.60 1.15 -0.02 0.00 0.48 0.00 0.00 55.95 58.17 2dnq s SER 81 Cb -0.13 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 63.72 2dnq s SER 81 CO 0.53 -0.36 0.01 -0.44 0.98 0.00 0.00 173.24 173.95 2dnq s SER 82 N -3.00 3.01 0.00 7.02 0.01 -1.26 -5.36 113.70 114.11 2dnq s SER 82 Ca 0.52 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2dnq s SER 82 Cb -0.10 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2dnq s SER 82 CO 0.29 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.27