#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 1.67 -4.94 1.61 7.64 -1.26 -4.92 113.62 113.42 2dnq n SER -5 Ca 0.00 0.28 -0.25 0.00 1.01 0.00 0.00 58.87 59.92 2dnq n SER -5 Cb 0.00 -0.67 0.02 0.00 -1.01 0.00 0.00 64.21 62.55 2dnq n SER -5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dnq s SER -4 N -6.66 5.76 0.00 6.43 1.04 -1.26 -4.42 113.70 114.59 2dnq s SER -4 Ca -0.29 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2dnq s SER -4 Cb 0.09 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2dnq s SER -4 CO 0.38 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2dnq n GLY -3 N -2.29 2.29 3.97 7.32 0.00 -1.26 -4.71 105.19 110.51 2dnq n GLY -3 Ca 0.03 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2dnq n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dnq n SER -2 N 2.85 -3.20 -4.76 1.61 2.88 -1.26 -4.90 113.62 106.85 2dnq n SER -2 Ca 0.00 -0.88 -0.41 0.00 -1.33 0.00 0.00 58.87 56.25 2dnq n SER -2 Cb 0.00 -3.49 -0.04 0.00 -0.75 0.00 0.00 64.21 59.93 2dnq n SER -2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnq s SER -1 N -3.62 7.14 0.00 -3.46 0.15 -1.26 -5.00 113.70 107.64 2dnq s SER -1 Ca 0.49 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.47 2dnq s SER -1 Cb -0.25 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 2dnq s SER -1 CO 0.86 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.65 2dnq n GLY 0 N 1.36 -0.31 3.98 9.45 0.00 -1.26 -5.02 105.19 113.39 2dnq n GLY 0 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2dnq n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dnq s MET 1 N 0.00 2.35 -0.03 1.61 0.00 -1.25 -4.52 119.30 117.46 2dnq s MET 1 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 55.69 54.78 2dnq s MET 1 Cb 0.00 -2.47 0.03 0.00 0.00 0.00 0.00 34.83 32.39 2dnq s MET 1 CO 0.00 -0.87 0.03 0.08 0.00 0.00 0.00 175.02 174.25 2dnq s VAL 2 N -2.83 -0.00 0.50 5.16 1.01 -0.90 -4.93 120.40 118.41 2dnq s VAL 2 Ca 0.59 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.70 2dnq s VAL 2 Cb -0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 2dnq s VAL 2 CO 0.40 0.12 0.87 -0.75 0.00 0.00 0.00 175.10 175.73 2dnq s LYS 3 N 1.26 3.67 -0.01 2.72 2.20 -1.26 -0.30 119.74 128.02 2dnq s LYS 3 Ca -0.07 0.50 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 2dnq s LYS 3 Cb -0.13 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 2dnq s LYS 3 CO -0.03 -0.26 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.15 2dnq s LEU 4 N -4.53 1.91 -0.25 5.43 1.43 0.22 -4.22 118.68 118.67 2dnq s LEU 4 Ca 0.52 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2dnq s LEU 4 Cb -0.10 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.83 2dnq s LEU 4 CO 0.42 0.04 0.12 0.12 0.23 0.00 0.00 176.35 177.28 2dnq s PHE 5 N 0.03 3.18 -0.18 0.29 5.36 -0.59 -1.94 117.98 124.14 2dnq s PHE 5 Ca 0.00 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 2dnq s PHE 5 Cb -0.03 -2.27 0.04 0.00 -0.34 0.00 0.00 43.02 40.41 2dnq s PHE 5 CO -0.00 -0.17 -0.11 0.42 -1.46 0.00 0.00 175.22 173.89 2dnq s ILE 6 N 1.45 1.54 0.54 3.12 1.01 -0.40 -1.48 121.20 126.99 2dnq s ILE 6 Ca 0.06 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.92 2dnq s ILE 6 Cb -0.15 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.77 2dnq s ILE 6 CO 0.06 0.26 0.25 -0.83 0.00 0.00 0.00 174.94 174.68 2dnq s GLY 7 N 1.46 2.65 -1.20 6.18 0.00 0.13 -0.16 107.32 116.38 2dnq s GLY 7 Ca 0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 2dnq s GLY 7 CO -0.09 -2.05 0.89 -2.01 0.00 0.00 0.00 173.10 169.84 2dnq n ASN 8 N -1.59 -2.74 -4.86 1.64 5.15 -1.23 -0.99 115.26 110.64 2dnq n ASN 8 Ca -0.09 -0.71 -0.36 0.00 -0.60 0.00 0.00 54.58 52.82 2dnq n ASN 8 Cb 0.65 -4.77 -0.06 0.00 -0.53 0.00 0.00 39.78 35.08 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 -6.28 4.40 0.00 1.20 1.43 -1.25 -3.94 118.68 114.24 2dnq s LEU 9 Ca 0.10 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 2dnq s LEU 9 Cb -0.02 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.52 2dnq s LEU 9 CO 0.76 0.27 0.00 -0.81 0.23 0.00 0.00 176.35 176.80 2dnq n PRO 10 N 1.38 0.04 0.04 1.29 -0.04 -1.26 -4.91 135.00 131.53 2dnq n PRO 10 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2dnq n PRO 10 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 2dnq n PRO 10 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dnq n ARG 11 N -0.88 0.63 0.14 0.54 0.63 -1.26 -4.05 116.66 112.42 2dnq n ARG 11 Ca 0.00 0.06 0.07 0.00 -0.92 0.00 0.00 57.85 57.06 2dnq n ARG 11 Cb 0.00 -1.72 0.05 0.00 0.45 0.00 0.00 32.46 31.24 2dnq n ARG 11 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2dnq h GLU 12 N 0.00 0.00 -6.37 -0.14 5.08 -1.96 -3.45 114.58 107.74 2dnq h GLU 12 Ca -0.09 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.71 2dnq h GLU 12 Cb 1.27 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.54 2dnq h GLU 12 CO 0.02 0.23 1.14 0.00 -1.00 0.00 0.00 179.01 179.40 2dnq n ALA 13 N -2.20 1.44 -2.41 3.43 0.00 -1.26 -4.98 120.51 114.53 2dnq n ALA 13 Ca 0.01 0.27 -0.28 0.00 0.00 0.00 0.00 53.44 53.43 2dnq n ALA 13 Cb 0.65 -2.58 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 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 3.80 2.32 0.21 0.00 -4.23 -1.26 -4.95 115.64 111.54 2dnq s THR 14 Ca 0.88 -1.87 -0.19 0.00 -1.18 0.00 0.00 61.69 59.33 2dnq s THR 14 Cb -0.55 -2.06 0.18 0.00 1.34 0.00 0.00 72.50 71.41 2dnq s THR 14 CO 0.44 -0.00 1.50 -0.62 -0.54 0.00 0.00 174.62 175.40 2dnq n GLU 15 N 0.62 -0.26 0.03 3.99 4.71 -1.26 -1.45 120.64 127.02 2dnq n GLU 15 Ca -0.16 1.49 -0.02 0.00 -0.01 0.00 0.00 57.16 58.46 2dnq n GLU 15 Cb 0.54 -2.20 -0.01 0.00 -1.01 0.00 0.00 31.44 28.76 2dnq n GLU 15 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2dnq h GLN 16 N 0.00 -0.11 -0.72 3.49 4.20 -1.96 0.12 115.11 120.13 2dnq h GLN 16 Ca 0.31 0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.16 2dnq h GLN 16 Cb 0.55 0.02 -0.13 0.00 0.30 0.00 0.00 27.48 28.22 2dnq h GLN 16 CO -0.95 -0.07 -0.21 0.39 -0.67 0.00 0.00 178.83 177.32 2dnq n GLU 17 N -2.67 -0.09 0.15 1.46 1.02 -0.74 0.66 120.64 120.43 2dnq n GLU 17 Ca -0.01 1.12 -0.14 0.00 -0.02 0.00 0.00 57.16 58.11 2dnq n GLU 17 Cb 0.05 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 29.72 2dnq n GLU 17 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2dnq h ILE 18 N 0.00 0.79 -0.51 -3.67 1.08 -0.96 -2.64 117.51 111.61 2dnq h ILE 18 Ca 0.32 -0.30 0.10 0.00 -0.39 0.00 0.00 64.86 64.60 2dnq h ILE 18 Cb 0.50 0.97 -0.10 0.00 -3.07 0.00 0.00 36.82 35.12 2dnq h ILE 18 CO -0.74 0.07 -0.15 -0.09 -0.69 0.00 0.00 178.15 176.54 2dnq h ARG 19 N -0.49 -0.03 -0.25 2.37 2.43 0.30 -1.51 114.38 117.20 2dnq h ARG 19 Ca -0.03 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2dnq h ARG 19 Cb 0.37 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 2dnq h ARG 19 CO 0.06 -0.02 -0.16 0.77 -1.51 0.00 0.00 179.97 179.11 2dnq h SER 20 N -0.03 -0.51 -1.46 -3.80 0.02 -0.78 0.16 113.55 107.14 2dnq h SER 20 Ca 0.24 0.11 0.43 0.00 -0.84 0.00 0.00 61.79 61.73 2dnq h SER 20 Cb 0.40 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 2dnq h SER 20 CO -0.54 -0.19 1.04 -0.07 -1.14 0.00 0.00 176.83 175.93 2dnq h LEU 21 N -0.14 0.05 0.04 5.07 3.38 -0.90 0.57 115.31 123.39 2dnq h LEU 21 Ca 0.14 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.79 2dnq h LEU 21 Cb 0.35 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2dnq h LEU 21 CO -0.33 -0.01 -1.93 0.49 0.09 0.00 0.00 178.44 176.74 2dnq n PHE 22 N -4.17 0.92 0.20 1.13 3.72 0.01 -3.98 117.46 115.28 2dnq n PHE 22 Ca 0.33 0.27 0.11 0.00 -0.05 0.00 0.00 57.45 58.10 2dnq n PHE 22 Cb 1.51 -1.15 0.57 0.00 -0.94 0.00 0.00 39.48 39.47 2dnq n PHE 22 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2dnq h GLU 23 N 0.02 0.00 0.00 -1.08 4.39 0.28 0.48 114.58 118.67 2dnq h GLU 23 Ca -0.38 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.22 2dnq h GLU 23 Cb 2.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.67 2dnq h GLU 23 CO 0.07 0.00 -0.64 1.96 -1.16 0.00 0.00 179.01 179.23 2dnq h GLN 24 N 0.00 0.00 -0.05 2.33 4.20 -1.57 -3.31 115.11 116.71 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 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2dnq h GLN 24 CO 0.00 0.39 0.00 0.66 -0.67 0.00 0.00 178.83 179.21 2dnq n TYR 25 N -3.13 0.09 0.00 2.96 4.02 0.14 -5.05 117.16 116.19 2dnq n TYR 25 Ca 0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.24 2dnq n TYR 25 Cb 0.73 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 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 -0.64 4.40 3.74 2.72 0.00 0.35 -4.57 105.19 111.19 2dnq n GLY 26 Ca 0.06 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 2dnq n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dnq s LYS 27 N -2.69 4.13 -0.06 1.61 2.36 -1.26 -2.95 119.74 120.88 2dnq s LYS 27 Ca 0.00 2.56 -0.13 0.00 -2.55 0.00 0.00 55.97 55.85 2dnq s LYS 27 Cb 0.00 -3.04 -0.05 0.00 -1.05 0.00 0.00 37.83 33.69 2dnq s LYS 27 CO 0.00 -0.64 0.34 0.08 1.55 0.00 0.00 175.35 176.68 2dnq s VAL 28 N 0.23 5.18 -0.19 4.02 1.01 -1.26 -1.50 120.40 127.89 2dnq s VAL 28 Ca 0.65 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 2dnq s VAL 28 Cb -0.48 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.13 2dnq s VAL 28 CO 0.45 0.54 0.06 0.18 0.00 0.00 0.00 175.10 176.33 2dnq n LEU 29 N 2.24 1.84 -4.07 3.92 4.77 0.15 -4.97 117.00 120.89 2dnq n LEU 29 Ca -0.14 0.50 -0.10 0.00 -0.03 0.00 0.00 56.01 56.24 2dnq n LEU 29 Cb 0.53 -0.93 -0.11 0.00 -2.33 0.00 0.00 43.42 40.58 2dnq n LEU 29 CO 0.37 0.01 -0.37 -0.70 -1.33 0.00 0.00 177.39 175.36 2dnq s GLU 30 N -2.32 0.55 -0.20 3.23 2.56 -1.25 -5.01 118.70 116.26 2dnq s GLU 30 Ca -0.24 -0.96 -0.06 0.00 0.00 0.00 0.00 54.97 53.71 2dnq s GLU 30 Cb 0.05 -0.02 0.09 0.00 2.00 0.00 0.00 34.13 36.25 2dnq s GLU 30 CO 0.45 -0.04 0.39 0.00 -0.56 0.00 0.00 175.26 175.51 2dnq s ASP 32 N 2.58 1.07 -0.26 0.00 -1.08 -0.91 -4.91 116.67 113.15 2dnq s ASP 32 Ca 0.01 -0.16 -0.00 0.00 -0.52 0.00 0.00 52.55 51.88 2dnq s ASP 32 Cb -0.13 -0.45 0.04 0.00 -1.46 0.00 0.00 42.92 40.93 2dnq s ASP 32 CO -0.13 -0.01 -0.06 -0.63 0.52 0.00 0.00 175.17 174.86 2dnq s ILE 33 N 0.65 2.67 0.16 4.11 1.01 -1.26 -0.14 121.20 128.40 2dnq s ILE 33 Ca -0.10 -1.30 -0.10 0.00 0.00 0.00 0.00 60.65 59.16 2dnq s ILE 33 Cb -0.13 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 2dnq s ILE 33 CO 0.01 0.06 0.29 -0.63 0.00 0.00 0.00 174.94 174.67 2dnq s ILE 34 N 1.24 0.07 -1.47 2.92 1.01 0.33 -4.90 121.20 120.40 2dnq s ILE 34 Ca -0.04 -1.31 -0.04 0.00 0.00 0.00 0.00 60.65 59.26 2dnq s ILE 34 Cb -0.18 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2dnq s ILE 34 CO -0.04 -0.33 0.19 0.29 0.00 0.00 0.00 174.94 175.04 2dnq n LYS 35 N -0.20 -1.41 -3.72 2.79 4.76 -1.26 0.10 118.16 119.22 2dnq n LYS 35 Ca -0.09 0.17 -0.28 0.00 -2.87 0.00 0.00 58.31 55.24 2dnq n LYS 35 Cb 0.63 -3.70 0.00 0.00 -1.84 0.00 0.00 35.03 30.12 2dnq n LYS 35 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2dnq n ASN 36 N -2.83 -4.14 -3.75 4.39 4.13 -1.26 -4.94 115.26 106.86 2dnq n ASN 36 Ca -0.30 -0.65 -0.10 0.00 1.68 0.00 0.00 54.58 55.21 2dnq n ASN 36 Cb 0.68 -3.36 -0.07 0.00 -1.54 0.00 0.00 39.78 35.49 2dnq n ASN 36 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2dnq s TYR 37 N -3.14 -0.06 -0.02 3.10 -0.85 0.29 -3.57 117.35 113.10 2dnq s TYR 37 Ca 0.56 -0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.91 2dnq s TYR 37 Cb -0.29 0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.16 2dnq s TYR 37 CO 0.69 -0.57 -0.00 0.20 -1.52 0.00 0.00 175.55 174.35 2dnq s GLY 38 N -2.48 0.18 -0.20 5.49 0.00 0.77 0.12 107.32 111.20 2dnq s GLY 38 Ca -0.00 0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.77 2dnq s GLY 38 CO -0.08 0.41 0.03 -1.36 0.00 0.00 0.00 173.10 172.11 2dnq s PHE 39 N 0.70 3.11 -0.16 1.90 0.08 0.81 -1.27 117.98 123.15 2dnq s PHE 39 Ca -0.07 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2dnq s PHE 39 Cb -0.10 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 2dnq s PHE 39 CO -0.01 -0.13 -0.19 0.08 -0.10 0.00 0.00 175.22 174.86 2dnq s VAL 40 N 0.92 1.94 -0.74 -0.44 1.01 -0.82 -2.14 120.40 120.13 2dnq s VAL 40 Ca 0.02 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 2dnq s VAL 40 Cb -0.14 -1.75 0.19 0.00 0.00 0.00 0.00 36.38 34.68 2dnq s VAL 40 CO 0.02 0.52 0.67 -1.00 0.00 0.00 0.00 175.10 175.31 2dnq s HIS 41 N 1.20 3.63 0.93 5.22 3.76 -0.85 0.71 115.29 129.90 2dnq s HIS 41 Ca 0.02 -1.98 -0.12 0.00 -0.15 0.00 0.00 55.06 52.83 2dnq s HIS 41 Cb -0.14 -3.72 0.15 0.00 1.11 0.00 0.00 32.58 29.98 2dnq s HIS 41 CO -0.09 -0.98 1.09 -1.50 -0.85 0.00 0.00 174.74 172.41 2dnq s ILE 42 N 0.40 2.48 0.00 0.60 2.07 0.58 -0.68 121.20 126.66 2dnq s ILE 42 Ca 0.15 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 2dnq s ILE 42 Cb -0.15 -2.60 0.00 0.00 0.13 0.00 0.00 42.46 39.84 2dnq s ILE 42 CO -0.06 -0.20 0.42 1.21 -1.91 0.00 0.00 174.94 174.40 2dnq n GLU 43 N -4.02 0.00 -3.95 3.50 2.13 -0.56 -2.11 120.64 115.63 2dnq n GLU 43 Ca 0.07 0.25 -0.26 0.00 0.66 0.00 0.00 57.16 57.88 2dnq n GLU 43 Cb 0.55 -1.03 -0.03 0.00 0.27 0.00 0.00 31.44 31.20 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 -2.01 6.33 0.06 4.31 1.11 -1.26 -3.90 116.67 121.31 2dnq s ASP 44 Ca 0.00 0.16 -0.28 0.00 0.18 0.00 0.00 52.55 52.62 2dnq s ASP 44 Cb 0.00 -1.90 -0.17 0.00 1.07 0.00 0.00 42.92 41.91 2dnq s ASP 44 CO 0.00 0.05 1.54 0.50 1.18 0.00 0.00 175.17 178.44 2dnq h LYS 45 N 2.11 -0.49 -0.78 8.23 3.11 -1.90 -2.45 116.57 124.40 2dnq h LYS 45 Ca -0.49 0.03 0.23 0.00 -2.81 0.00 0.00 60.65 57.61 2dnq h LYS 45 Cb 1.20 0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 32.51 2dnq h LYS 45 CO 0.68 -0.27 0.68 1.15 -2.81 0.00 0.00 179.45 178.88 2dnq h THR 46 N -0.62 0.38 -0.15 1.00 2.02 -1.99 0.56 112.91 114.11 2dnq h THR 46 Ca -0.05 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 2dnq h THR 46 Cb 0.45 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2dnq h THR 46 CO 0.09 0.00 -0.39 0.00 0.37 0.00 0.00 175.52 175.59 2dnq h ALA 47 N 1.38 1.05 0.62 6.16 0.00 -1.69 -3.10 119.26 123.67 2dnq h ALA 47 Ca 0.37 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2dnq h ALA 47 Cb 1.72 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.42 2dnq h ALA 47 CO -0.00 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.55 2dnq h ALA 48 N 1.31 -0.91 -0.96 0.00 0.00 0.18 -2.97 119.26 115.90 2dnq h ALA 48 Ca 0.03 -0.18 0.31 0.00 0.00 0.00 0.00 54.91 55.07 2dnq h ALA 48 Cb 0.82 0.32 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 2dnq h ALA 48 CO 0.07 -0.85 0.34 0.93 0.00 0.00 0.00 179.25 179.74 2dnq h GLU 49 N -1.11 0.13 -0.15 0.00 5.08 -1.60 0.54 114.58 117.47 2dnq h GLU 49 Ca -0.08 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2dnq h GLU 49 Cb 0.63 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2dnq h GLU 49 CO 0.14 0.09 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.74 2dnq h ASP 50 N 0.14 -0.18 0.32 1.42 5.19 -1.51 -2.37 116.42 119.42 2dnq h ASP 50 Ca 0.68 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 57.12 2dnq h ASP 50 Cb 1.55 0.11 0.00 0.00 0.18 0.00 0.00 39.33 41.18 2dnq h ASP 50 CO -0.74 -0.07 -0.15 0.00 -3.12 0.00 0.00 179.24 175.16 2dnq h ALA 51 N 1.12 -0.43 -0.50 3.45 0.00 -0.17 -3.33 119.26 119.40 2dnq h ALA 51 Ca 0.08 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2dnq h ALA 51 Cb 0.14 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2dnq h ALA 51 CO -0.17 -0.42 -0.29 -0.89 0.00 0.00 0.00 179.25 177.48 2dnq n ILE 52 N -5.06 -0.34 -0.34 0.00 5.41 0.15 0.41 119.36 119.59 2dnq n ILE 52 Ca -0.06 1.53 -0.00 0.00 1.00 0.00 0.00 62.75 65.21 2dnq n ILE 52 Cb 0.20 -1.92 0.04 0.00 -0.71 0.00 0.00 39.64 37.25 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 -4.23 -0.20 0.00 0.38 0.63 -0.89 0.52 116.66 112.87 2dnq n ARG 53 Ca 0.01 1.35 0.00 0.00 -0.92 0.00 0.00 57.85 58.29 2dnq n ARG 53 Cb 0.13 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 31.04 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 -0.31 6.15 3.02 0.17 -4.06 115.26 114.93 2dnq n ASN 54 Ca 0.09 0.61 -0.08 0.00 -0.03 0.00 0.00 54.58 55.18 2dnq n ASN 54 Cb 0.36 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.67 -0.77 -3.32 3.41 4.77 0.42 -4.36 117.00 115.48 2dnq n LEU 55 Ca 0.00 1.33 -0.47 0.00 -0.03 0.00 0.00 56.01 56.84 2dnq n LEU 55 Cb 0.00 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 2dnq n LEU 55 CO 0.00 -1.09 0.95 1.57 -1.33 0.00 0.00 177.39 177.49 2dnq n HIS 56 N -4.95 1.14 -2.53 -1.77 -0.00 0.18 0.20 115.22 107.50 2dnq n HIS 56 Ca 0.02 0.75 -0.10 0.00 0.46 0.00 0.00 57.72 58.84 2dnq n HIS 56 Cb 0.20 -1.62 0.01 0.00 -0.12 0.00 0.00 29.99 28.46 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 3.64 -0.84 -3.16 1.57 8.25 -0.79 -4.95 115.22 118.95 2dnq n HIS 57 Ca 0.28 0.20 -0.39 0.00 -0.26 0.00 0.00 57.72 57.54 2dnq n HIS 57 Cb -0.04 -2.61 -0.05 0.00 1.12 0.00 0.00 29.99 28.40 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 -2.76 3.62 -0.47 4.41 6.14 0.53 -4.86 117.35 123.96 2dnq s TYR 58 Ca 0.11 1.18 -0.28 0.00 0.64 0.00 0.00 57.07 58.72 2dnq s TYR 58 Cb -0.05 -2.68 -0.01 0.00 0.42 0.00 0.00 41.96 39.64 2dnq s TYR 58 CO 0.14 0.22 1.74 0.21 0.64 0.00 0.00 175.55 178.50 2dnq s LYS 59 N 0.31 3.08 -0.49 4.97 2.20 -1.26 -3.33 119.74 125.22 2dnq s LYS 59 Ca 0.33 0.95 0.04 0.00 -0.36 0.00 0.00 55.97 56.93 2dnq s LYS 59 Cb -0.18 -4.25 0.13 0.00 -1.51 0.00 0.00 37.83 32.03 2dnq s LYS 59 CO 0.17 -2.18 0.24 -1.17 -0.36 0.00 0.00 175.35 172.04 2dnq s LEU 60 N 7.52 4.06 -0.47 5.43 2.96 -1.08 -4.77 118.68 132.32 2dnq s LEU 60 Ca 0.70 -2.87 -0.00 0.00 -0.22 0.00 0.00 54.13 51.73 2dnq s LEU 60 Cb -0.16 -1.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.99 2dnq s LEU 60 CO 0.28 -0.25 0.39 1.41 -1.32 0.00 0.00 176.35 176.86 2dnq n HIS 61 N 3.28 -0.87 -2.21 5.38 8.25 -1.26 -3.36 115.22 124.43 2dnq n HIS 61 Ca 0.05 0.37 -0.18 0.00 -0.26 0.00 0.00 57.72 57.70 2dnq n HIS 61 Cb 0.33 -3.21 -0.02 0.00 1.12 0.00 0.00 29.99 28.21 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 -1.08 -0.02 3.53 -1.41 0.00 -1.26 -4.99 105.19 99.96 2dnq n GLY 62 Ca -0.11 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.87 1.05 -0.51 1.61 0.11 -1.21 -5.12 120.40 113.45 2dnq s VAL 63 Ca 0.00 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.09 2dnq s VAL 63 Cb 0.00 -2.58 0.16 0.00 -1.53 0.00 0.00 36.38 32.43 2dnq s VAL 63 CO 0.00 0.00 0.35 0.20 -3.33 0.00 0.00 175.10 172.32 2dnq s ASN 64 N -3.60 3.31 0.67 3.54 -0.87 -1.26 -2.65 114.94 114.09 2dnq s ASN 64 Ca 0.28 -3.14 -0.17 0.00 -1.57 0.00 0.00 52.86 48.26 2dnq s ASN 64 Cb 0.06 -1.02 -0.01 0.00 -0.02 0.00 0.00 41.25 40.26 2dnq s ASN 64 CO 0.14 -0.18 1.12 2.30 -2.57 0.00 0.00 177.10 177.91 2dnq n ILE 65 N 2.85 3.89 -4.00 0.60 -5.35 -1.21 -4.83 119.36 111.30 2dnq n ILE 65 Ca 0.19 -0.44 -0.34 0.00 -0.27 0.00 0.00 62.75 61.89 2dnq n ILE 65 Cb 0.39 -1.28 -0.15 0.00 -1.74 0.00 0.00 39.64 36.86 2dnq n ILE 65 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2dnq s ASN 66 N -1.49 4.42 -0.09 7.28 -0.87 -0.16 -1.88 114.94 122.14 2dnq s ASN 66 Ca 0.78 -1.16 -0.04 0.00 -1.57 0.00 0.00 52.86 50.87 2dnq s ASN 66 Cb -0.37 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.25 39.21 2dnq s ASN 66 CO 0.45 -0.18 0.07 -0.69 -2.57 0.00 0.00 177.10 174.18 2dnq s VAL 67 N 1.22 4.85 -0.28 1.60 1.01 -1.26 -0.69 120.40 126.84 2dnq s VAL 67 Ca -0.04 -0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 2dnq s VAL 67 Cb -0.18 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.24 2dnq s VAL 67 CO -0.05 0.60 1.05 -1.83 0.00 0.00 0.00 175.10 174.87 2dnq s GLU 68 N -1.00 0.45 -0.09 2.72 1.03 -0.55 -4.84 118.70 116.42 2dnq s GLU 68 Ca 0.15 0.58 -0.29 0.00 0.03 0.00 0.00 54.97 55.43 2dnq s GLU 68 Cb -0.12 0.19 -0.07 0.00 -0.80 0.00 0.00 34.13 33.34 2dnq s GLU 68 CO 0.04 -0.06 2.02 0.00 -1.33 0.00 0.00 175.26 175.93 2dnq s ALA 69 N 0.46 3.23 0.43 -0.84 0.00 -1.26 -1.54 121.76 122.24 2dnq s ALA 69 Ca 0.01 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.73 2dnq s ALA 69 Cb -0.05 -3.93 -0.09 0.00 0.00 0.00 0.00 23.12 19.05 2dnq s ALA 69 CO -0.09 -2.07 1.35 0.45 0.00 0.00 0.00 175.76 175.40 2dnq n SER 70 N 9.20 2.95 -4.42 0.00 2.88 -1.26 -4.87 113.62 118.10 2dnq n SER 70 Ca 0.23 1.12 -0.44 0.00 -1.33 0.00 0.00 58.87 58.46 2dnq n SER 70 Cb 0.43 -1.55 -0.07 0.00 -0.75 0.00 0.00 64.21 62.27 2dnq n SER 70 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2dnq s LYS 71 N -2.28 3.06 -0.03 -1.46 2.20 -1.26 -4.99 119.74 114.98 2dnq s LYS 71 Ca 0.60 -1.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 2dnq s LYS 71 Cb -0.48 -4.11 -0.00 0.00 -1.51 0.00 0.00 37.83 31.72 2dnq s LYS 71 CO 0.58 -1.14 -0.12 0.54 -0.36 0.00 0.00 175.35 174.85 2dnq s ASN 72 N 2.65 1.50 -0.16 1.43 4.22 -1.26 -5.14 114.94 118.18 2dnq s ASN 72 Ca 0.10 -0.24 -0.12 0.00 -2.14 0.00 0.00 52.86 50.46 2dnq s ASN 72 Cb -0.21 -0.35 0.05 0.00 1.28 0.00 0.00 41.25 42.02 2dnq s ASN 72 CO 0.10 0.11 0.42 -1.59 -2.04 0.00 0.00 177.10 174.09 2dnq s LYS 73 N 0.04 0.45 -0.28 3.55 -2.85 -1.26 -5.16 119.74 114.23 2dnq s LYS 73 Ca -0.01 0.67 -0.19 0.00 -1.00 0.00 0.00 55.97 55.44 2dnq s LYS 73 Cb -0.08 0.13 0.12 0.00 -2.06 0.00 0.00 37.83 35.94 2dnq s LYS 73 CO 0.01 -0.10 0.92 -1.54 0.10 0.00 0.00 175.35 174.73 2dnq s SER 74 N 0.72 -0.60 0.92 0.03 1.04 -1.26 -5.16 113.70 109.40 2dnq s SER 74 Ca -0.04 1.01 -0.16 0.00 0.48 0.00 0.00 55.95 57.23 2dnq s SER 74 Cb -0.05 1.18 -0.11 0.00 0.10 0.00 0.00 66.02 67.14 2dnq s SER 74 CO -0.05 -0.16 -0.43 2.29 0.98 0.00 0.00 173.24 175.87 2dnq n LYS 75 N 3.41 -0.03 -0.00 4.02 -0.00 -1.26 -4.96 118.16 119.33 2dnq n LYS 75 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.13 2dnq n LYS 75 Cb 0.57 -1.21 -0.00 0.00 -0.00 0.00 0.00 35.03 34.39 2dnq n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dnq n ALA 76 N -2.59 2.84 -3.43 0.58 0.00 -1.26 -5.12 120.51 111.53 2dnq n ALA 76 Ca 0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 2dnq n ALA 76 Cb 0.54 0.49 -0.02 0.00 0.00 0.00 0.00 19.45 20.46 2dnq n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dnq s SER 77 N -4.97 -0.54 -0.66 0.00 0.15 -1.26 -5.11 113.70 101.31 2dnq s SER 77 Ca -0.01 -0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.66 2dnq s SER 77 Cb 0.00 0.57 0.16 0.00 -1.71 0.00 0.00 66.02 65.05 2dnq s SER 77 CO 0.02 -0.92 0.44 -0.55 1.20 0.00 0.00 173.24 173.43 2dnq s SER 78 N -2.72 4.86 -0.20 5.45 0.15 -1.26 -4.93 113.70 115.05 2dnq s SER 78 Ca 0.02 -3.42 -0.05 0.00 0.70 0.00 0.00 55.95 53.19 2dnq s SER 78 Cb -0.01 -1.70 0.02 0.00 -1.71 0.00 0.00 66.02 62.62 2dnq s SER 78 CO -0.12 -0.18 0.10 0.61 1.20 0.00 0.00 173.24 174.85 2dnq n GLY 79 N 2.61 -3.93 3.67 9.45 0.00 -1.26 -4.77 105.19 110.97 2dnq n GLY 79 Ca 0.13 0.95 -0.59 0.00 0.00 0.00 0.00 46.02 46.51 2dnq n GLY 79 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dnq n PRO 80 N 1.35 0.81 0.07 1.61 -0.02 -1.26 -4.89 135.00 132.66 2dnq n PRO 80 Ca -0.18 0.30 -0.10 0.00 -2.02 0.00 0.00 63.50 61.50 2dnq n PRO 80 Cb 0.32 -1.92 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 2dnq n PRO 80 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2dnq h SER 81 N 5.82 -0.22 -3.21 2.55 0.87 -2.04 -3.44 113.55 113.89 2dnq h SER 81 Ca -0.47 -0.29 -0.62 0.00 -1.23 0.00 0.00 61.79 59.19 2dnq h SER 81 Cb 1.34 0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 63.23 2dnq h SER 81 CO 0.90 0.33 -0.52 -0.94 -0.53 0.00 0.00 176.83 176.06 2dnq s SER 82 N -5.40 5.99 0.00 6.23 1.04 -1.26 -5.29 113.70 115.00 2dnq s SER 82 Ca -0.11 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2dnq s SER 82 Cb 0.00 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.10 2dnq s SER 82 CO 0.41 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.45