#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 -0.18 0.00 1.61 0.15 -1.26 -4.97 113.70 109.05 2dnq s SER -5 Ca 0.00 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dnq s SER -5 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dnq s SER -5 CO 0.00 -0.86 0.00 -1.20 1.20 0.00 0.00 173.24 172.38 2dnq n SER -4 N -0.22 0.00 0.00 5.45 7.64 -1.26 -5.07 113.62 120.16 2dnq n SER -4 Ca -0.15 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2dnq n SER -4 Cb 0.63 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2dnq n SER -4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnq n GLY -3 N 1.89 2.89 0.34 0.23 0.00 -1.26 -4.90 105.19 104.39 2dnq n GLY -3 Ca 0.00 -0.63 0.18 0.00 0.00 0.00 0.00 46.02 45.57 2dnq n GLY -3 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dnq h SER -2 N 0.00 0.00 -3.39 1.61 4.64 -2.00 -3.39 113.55 111.02 2dnq h SER -2 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2dnq h SER -2 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 2dnq h SER -2 CO 0.00 0.00 -0.33 -0.55 -0.87 0.00 0.00 176.83 175.08 2dnq s SER -1 N -4.75 6.36 0.00 4.97 0.15 -1.26 -4.72 113.70 114.46 2dnq s SER -1 Ca -0.04 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2dnq s SER -1 Cb 0.11 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2dnq s SER -1 CO 0.34 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2dnq n GLY 0 N 3.69 -0.79 3.92 9.45 0.00 -1.26 -4.94 105.19 115.26 2dnq n GLY 0 Ca -0.12 0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 2.28 -0.01 1.61 0.00 -1.21 -3.85 119.30 118.13 2dnq s MET 1 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 55.69 55.47 2dnq s MET 1 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 34.83 32.67 2dnq s MET 1 CO 0.00 -1.20 0.10 0.08 0.00 0.00 0.00 175.02 174.00 2dnq s VAL 2 N -3.25 0.05 0.22 5.16 1.01 -0.61 -4.87 120.40 118.12 2dnq s VAL 2 Ca 0.59 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2dnq s VAL 2 Cb -0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2dnq s VAL 2 CO 0.45 -0.24 0.41 -0.75 0.00 0.00 0.00 175.10 174.97 2dnq s LYS 3 N -0.79 3.51 -0.00 2.72 2.20 -1.26 0.02 119.74 126.14 2dnq s LYS 3 Ca -0.09 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2dnq s LYS 3 Cb -0.05 -2.82 -0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2dnq s LYS 3 CO 0.00 0.37 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.83 2dnq s LEU 4 N -3.51 1.96 -0.14 5.43 1.43 0.26 -4.26 118.68 119.84 2dnq s LEU 4 Ca 0.38 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2dnq s LEU 4 Cb -0.11 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 2dnq s LEU 4 CO 0.30 0.02 -0.06 0.12 0.23 0.00 0.00 176.35 176.96 2dnq s PHE 5 N -0.00 2.97 0.05 0.29 5.36 0.25 -1.50 117.98 125.40 2dnq s PHE 5 Ca 0.00 -0.36 0.06 0.00 -0.96 0.00 0.00 56.93 55.68 2dnq s PHE 5 Cb -0.02 -1.92 -0.03 0.00 -0.34 0.00 0.00 43.02 40.72 2dnq s PHE 5 CO -0.00 -0.05 -0.18 0.42 -1.46 0.00 0.00 175.22 173.95 2dnq s ILE 6 N 0.29 1.43 0.14 3.12 1.01 -0.29 -0.91 121.20 125.99 2dnq s ILE 6 Ca -0.05 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.45 2dnq s ILE 6 Cb -0.14 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 2dnq s ILE 6 CO 0.04 0.07 0.10 0.61 0.00 0.00 0.00 174.94 175.75 2dnq n GLY 7 N 1.72 3.63 4.04 6.18 0.00 -0.82 -1.53 105.19 118.41 2dnq n GLY 7 Ca -0.18 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 2dnq n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dnq n ASN 8 N -2.33 -0.57 -4.81 1.61 5.15 -1.21 -3.39 115.26 109.71 2dnq n ASN 8 Ca 0.02 -1.04 -0.38 0.00 -0.60 0.00 0.00 54.58 52.57 2dnq n ASN 8 Cb 0.24 -2.84 -0.06 0.00 -0.53 0.00 0.00 39.78 36.59 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 -7.06 4.51 0.88 1.20 1.43 -1.24 -4.45 118.68 113.94 2dnq s LEU 9 Ca 0.11 1.28 -0.13 0.00 -1.03 0.00 0.00 54.13 54.35 2dnq s LEU 9 Cb -0.06 -2.96 0.13 0.00 0.03 0.00 0.00 46.19 43.33 2dnq s LEU 9 CO 0.91 0.25 1.22 -2.16 0.23 0.00 0.00 176.35 176.80 2dnq s PRO 10 N -1.20 1.38 0.33 1.29 0.04 -1.26 -4.93 135.00 130.65 2dnq s PRO 10 Ca 0.30 -0.05 0.17 0.00 0.04 0.00 0.00 61.00 61.47 2dnq s PRO 10 Cb -0.19 -1.90 0.32 0.00 0.04 0.00 0.00 34.50 32.77 2dnq s PRO 10 CO 0.19 -1.97 1.56 0.07 0.04 0.00 0.00 177.00 176.90 2dnq h ARG 11 N -1.32 0.00 -0.00 4.56 0.11 -2.01 -3.19 114.38 112.52 2dnq h ARG 11 Ca -0.46 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.42 2dnq h ARG 11 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 2dnq h ARG 11 CO 0.56 0.42 -0.88 0.93 0.10 0.00 0.00 179.97 181.10 2dnq h GLU 12 N 0.00 0.26 -6.27 0.08 4.39 -2.00 -3.45 114.58 107.59 2dnq h GLU 12 Ca -0.00 -0.28 -0.66 0.00 0.34 0.00 0.00 59.36 58.76 2dnq h GLU 12 Cb 1.18 0.08 0.08 0.00 -0.10 0.00 0.00 28.75 30.00 2dnq h GLU 12 CO 0.05 0.99 0.12 0.00 -1.16 0.00 0.00 179.01 179.02 2dnq n ALA 13 N -2.48 -1.27 -2.68 3.43 0.00 -1.21 -4.98 120.51 111.32 2dnq n ALA 13 Ca -0.04 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.67 2dnq n ALA 13 Cb 0.80 -1.94 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.39 1.09 0.28 0.00 -4.23 -1.26 -4.97 115.64 106.16 2dnq s THR 14 Ca 0.72 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.11 2dnq s THR 14 Cb -0.88 -1.01 0.34 0.00 1.34 0.00 0.00 72.50 72.28 2dnq s THR 14 CO 0.54 -0.09 1.62 -0.33 -0.54 0.00 0.00 174.62 175.81 2dnq h GLU 15 N 4.68 0.10 -0.91 3.99 5.08 -1.93 0.66 114.58 126.25 2dnq h GLU 15 Ca -0.39 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2dnq h GLU 15 Cb 1.19 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 2dnq h GLU 15 CO 0.42 0.07 0.57 1.96 -1.00 0.00 0.00 179.01 181.03 2dnq h GLN 16 N 0.11 1.23 0.44 2.33 4.20 -1.96 -0.82 115.11 120.64 2dnq h GLN 16 Ca 0.53 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 59.12 2dnq h GLN 16 Cb 1.05 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2dnq h GLN 16 CO -0.75 0.85 -0.21 0.93 -0.67 0.00 0.00 178.83 178.97 2dnq h GLU 17 N 1.25 -0.58 -0.57 1.46 5.08 -0.12 -1.54 114.58 119.57 2dnq h GLU 17 Ca 0.33 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.84 2dnq h GLU 17 Cb -0.08 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 2dnq h GLU 17 CO -0.06 -0.38 -0.11 0.82 -1.00 0.00 0.00 179.01 178.27 2dnq h ILE 18 N -0.73 0.45 0.33 3.13 1.08 -1.19 -1.92 117.51 118.65 2dnq h ILE 18 Ca -0.06 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 2dnq h ILE 18 Cb 0.46 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 2dnq h ILE 18 CO 0.10 0.00 -0.44 -0.09 -0.69 0.00 0.00 178.15 177.04 2dnq h ARG 19 N 0.02 -0.77 -0.83 2.37 2.43 -1.19 -2.74 114.38 113.68 2dnq h ARG 19 Ca 0.28 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.64 2dnq h ARG 19 Cb 0.43 0.17 -0.14 0.00 -0.42 0.00 0.00 29.97 30.01 2dnq h ARG 19 CO -0.57 -0.51 -0.34 1.03 -1.51 0.00 0.00 179.97 178.07 2dnq h SER 20 N -0.80 -1.23 -1.11 -3.80 0.87 -0.76 0.67 113.55 107.39 2dnq h SER 20 Ca -0.04 0.27 0.38 0.00 -1.23 0.00 0.00 61.79 61.17 2dnq h SER 20 Cb 0.72 0.66 -0.15 0.00 -0.44 0.00 0.00 62.40 63.19 2dnq h SER 20 CO -0.11 -0.29 0.66 -0.07 -0.53 0.00 0.00 176.83 176.49 2dnq h LEU 21 N -0.06 0.38 0.00 2.23 3.38 -1.06 1.04 115.31 121.22 2dnq h LEU 21 Ca 0.32 0.18 -0.24 0.00 0.09 0.00 0.00 57.88 58.23 2dnq h LEU 21 Cb 0.59 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2dnq h LEU 21 CO -0.86 -0.21 -1.27 -0.26 0.09 0.00 0.00 178.44 175.93 2dnq h PHE 22 N 0.18 0.00 0.00 1.13 0.04 0.36 -3.26 116.94 115.39 2dnq h PHE 22 Ca 0.78 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.55 2dnq h PHE 22 Cb 2.09 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.24 2dnq h PHE 22 CO -0.01 1.00 0.00 0.39 -0.60 0.00 0.00 178.31 179.10 2dnq n GLU 23 N -3.24 0.01 0.04 1.51 1.02 0.35 -0.19 120.64 120.15 2dnq n GLU 23 Ca -0.06 0.46 -0.12 0.00 -0.02 0.00 0.00 57.16 57.42 2dnq n GLU 23 Cb 0.98 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.73 2dnq n GLU 23 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2dnq h GLN 24 N 0.00 0.11 -0.01 3.49 4.20 -1.47 -3.34 115.11 118.08 2dnq h GLN 24 Ca 0.00 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2dnq h GLN 24 Cb 0.05 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2dnq h GLN 24 CO 0.00 0.91 -0.23 0.66 -0.67 0.00 0.00 178.83 179.51 2dnq n TYR 25 N -3.31 0.00 0.00 2.96 4.01 -0.36 -5.03 117.16 115.43 2dnq n TYR 25 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2dnq n TYR 25 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 2dnq n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dnq n GLY 26 N 1.07 2.81 3.75 2.72 0.00 0.73 -4.70 105.19 111.58 2dnq n GLY 26 Ca 0.07 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.99 3.20 -0.09 1.61 2.20 -1.26 -2.82 119.74 120.59 2dnq s LYS 27 Ca 0.00 2.07 -0.02 0.00 -0.36 0.00 0.00 55.97 57.66 2dnq s LYS 27 Cb 0.00 -2.21 -0.03 0.00 -1.51 0.00 0.00 37.83 34.07 2dnq s LYS 27 CO 0.00 -1.09 0.01 0.08 -0.36 0.00 0.00 175.35 173.99 2dnq s VAL 28 N -1.40 4.36 -0.27 4.02 1.01 -1.26 -1.51 120.40 125.36 2dnq s VAL 28 Ca 0.71 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 2dnq s VAL 28 Cb -0.36 -2.84 -0.15 0.00 0.00 0.00 0.00 36.38 33.03 2dnq s VAL 28 CO 0.42 0.60 -0.27 0.18 0.00 0.00 0.00 175.10 176.04 2dnq n LEU 29 N 2.20 2.34 -3.99 3.92 4.77 0.96 -4.95 117.00 122.26 2dnq n LEU 29 Ca -0.19 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 2dnq n LEU 29 Cb 0.54 -0.87 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 2dnq n LEU 29 CO 0.29 0.70 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.94 2dnq s GLU 30 N -2.51 0.50 -0.22 3.23 2.56 -1.24 -4.98 118.70 116.04 2dnq s GLU 30 Ca -0.37 -0.29 -0.04 0.00 0.00 0.00 0.00 54.97 54.28 2dnq s GLU 30 Cb 0.12 -0.45 0.09 0.00 2.00 0.00 0.00 34.13 35.89 2dnq s GLU 30 CO 0.54 0.12 0.20 0.00 -0.56 0.00 0.00 175.26 175.56 2dnq s ASP 32 N 2.27 3.32 -0.26 0.00 2.15 -0.89 -4.95 116.67 118.32 2dnq s ASP 32 Ca 0.07 -1.11 -0.02 0.00 0.43 0.00 0.00 52.55 51.92 2dnq s ASP 32 Cb -0.16 -0.27 0.13 0.00 -0.30 0.00 0.00 42.92 42.33 2dnq s ASP 32 CO -0.17 -0.14 0.31 -0.63 -0.17 0.00 0.00 175.17 174.37 2dnq s ILE 33 N -2.71 -0.46 0.11 4.11 1.01 -1.26 -1.48 121.20 120.52 2dnq s ILE 33 Ca 0.29 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 2dnq s ILE 33 Cb -0.00 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.59 2dnq s ILE 33 CO 0.14 -0.30 0.22 -0.63 0.00 0.00 0.00 174.94 174.37 2dnq s ILE 34 N 2.42 0.12 -1.61 2.92 1.01 0.24 -4.90 121.20 121.40 2dnq s ILE 34 Ca 0.10 -1.22 -0.09 0.00 0.00 0.00 0.00 60.65 59.43 2dnq s ILE 34 Cb -0.15 -1.47 0.08 0.00 0.01 0.00 0.00 42.46 40.94 2dnq s ILE 34 CO -0.23 -0.55 0.41 0.29 0.00 0.00 0.00 174.94 174.86 2dnq n LYS 35 N -0.10 -2.08 -2.88 2.79 5.02 -1.26 0.13 118.16 119.78 2dnq n LYS 35 Ca -0.13 0.25 -0.20 0.00 -2.02 0.00 0.00 58.31 56.21 2dnq n LYS 35 Cb 0.63 -4.42 0.01 0.00 -0.02 0.00 0.00 35.03 31.23 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 -2.78 -4.90 -3.93 4.39 3.02 -1.26 -4.96 115.26 104.84 2dnq n ASN 36 Ca -0.14 -0.15 -0.10 0.00 -0.03 0.00 0.00 54.58 54.15 2dnq n ASN 36 Cb 0.60 -4.04 -0.10 0.00 -0.61 0.00 0.00 39.78 35.63 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 -2.95 0.18 -0.00 3.10 -0.85 0.36 -3.29 117.35 113.89 2dnq s TYR 37 Ca 0.21 -0.41 0.03 0.00 -0.52 0.00 0.00 57.07 56.38 2dnq s TYR 37 Cb -0.10 -0.13 -0.01 0.00 0.38 0.00 0.00 41.96 42.09 2dnq s TYR 37 CO 0.26 -0.29 -0.10 0.20 -1.52 0.00 0.00 175.55 174.09 2dnq s GLY 38 N -1.73 0.51 -0.23 5.49 0.00 -0.58 0.79 107.32 111.56 2dnq s GLY 38 Ca -0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.10 2dnq s GLY 38 CO -0.02 -0.41 -0.02 -1.36 0.00 0.00 0.00 173.10 171.29 2dnq s PHE 39 N -0.33 2.99 -0.19 1.90 0.08 -0.55 -1.14 117.98 120.75 2dnq s PHE 39 Ca 0.03 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.15 2dnq s PHE 39 Cb -0.04 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.29 2dnq s PHE 39 CO -0.00 -0.54 -0.16 0.08 -0.10 0.00 0.00 175.22 174.49 2dnq s VAL 40 N 1.48 2.35 -0.54 -0.44 1.01 -0.57 -2.09 120.40 121.61 2dnq s VAL 40 Ca 0.05 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 2dnq s VAL 40 Cb -0.15 -2.03 0.14 0.00 0.00 0.00 0.00 36.38 34.34 2dnq s VAL 40 CO -0.02 0.48 0.42 -1.00 0.00 0.00 0.00 175.10 174.98 2dnq s HIS 41 N 1.32 3.45 0.84 5.22 3.76 -0.71 0.92 115.29 130.09 2dnq s HIS 41 Ca 0.05 -1.94 -0.11 0.00 -0.15 0.00 0.00 55.06 52.90 2dnq s HIS 41 Cb -0.14 -3.53 0.10 0.00 1.11 0.00 0.00 32.58 30.12 2dnq s HIS 41 CO -0.11 -0.98 1.10 -1.50 -0.85 0.00 0.00 174.74 172.40 2dnq s ILE 42 N 1.08 2.87 -0.11 0.60 2.07 0.10 -0.02 121.20 127.79 2dnq s ILE 42 Ca 0.08 0.28 -0.14 0.00 -1.41 0.00 0.00 60.65 59.46 2dnq s ILE 42 Cb -0.24 -2.91 -0.27 0.00 0.13 0.00 0.00 42.46 39.17 2dnq s ILE 42 CO -0.02 -0.37 0.52 1.05 -1.91 0.00 0.00 174.94 174.21 2dnq h GLU 43 N -1.30 0.25 -5.89 3.50 4.11 -1.55 -1.62 114.58 112.07 2dnq h GLU 43 Ca -0.48 -0.43 -0.66 0.00 0.07 0.00 0.00 59.36 57.86 2dnq h GLU 43 Cb 1.28 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.60 2dnq h GLU 43 CO 0.57 1.21 -0.54 -0.51 0.07 0.00 0.00 179.01 179.80 2dnq s ASP 44 N -7.06 5.92 -0.04 3.06 1.01 -1.26 -3.29 116.67 115.01 2dnq s ASP 44 Ca -0.20 0.25 -0.12 0.00 0.71 0.00 0.00 52.55 53.18 2dnq s ASP 44 Cb 0.05 -1.78 -0.07 0.00 1.01 0.00 0.00 42.92 42.14 2dnq s ASP 44 CO 0.77 0.30 0.53 0.50 0.21 0.00 0.00 175.17 177.48 2dnq h LYS 45 N 4.28 -0.42 -1.63 8.23 3.64 -1.90 -3.19 116.57 125.58 2dnq h LYS 45 Ca -0.50 0.03 0.49 0.00 -1.27 0.00 0.00 60.65 59.40 2dnq h LYS 45 Cb 1.19 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 33.01 2dnq h LYS 45 CO 0.62 -0.28 1.14 1.15 -2.27 0.00 0.00 179.45 179.81 2dnq h THR 46 N -1.03 0.10 -0.05 1.00 2.02 -1.96 0.62 112.91 113.60 2dnq h THR 46 Ca -0.04 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2dnq h THR 46 Cb 0.33 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2dnq h THR 46 CO 0.07 0.01 -0.00 0.00 0.37 0.00 0.00 175.52 175.97 2dnq h ALA 47 N 1.28 0.07 -1.16 6.16 0.00 -1.83 -2.98 119.26 120.79 2dnq h ALA 47 Ca 0.85 -0.18 0.39 0.00 0.00 0.00 0.00 54.91 55.97 2dnq h ALA 47 Cb 3.15 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 20.78 2dnq h ALA 47 CO -0.16 -0.25 0.72 0.00 0.00 0.00 0.00 179.25 179.55 2dnq h ALA 48 N 0.70 2.40 -0.21 0.00 0.00 0.26 1.07 119.26 123.49 2dnq h ALA 48 Ca 0.01 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 2dnq h ALA 48 Cb 0.35 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2dnq h ALA 48 CO 0.00 -1.03 -0.59 0.93 0.00 0.00 0.00 179.25 178.56 2dnq h GLU 49 N 0.16 0.68 0.12 0.00 5.08 -1.51 -0.37 114.58 118.74 2dnq h GLU 49 Ca 0.78 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2dnq h GLU 49 Cb 2.20 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.51 2dnq h GLU 49 CO -0.51 1.08 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.08 2dnq h ASP 50 N 0.51 -0.13 -0.13 1.42 5.19 0.11 -0.95 116.42 122.45 2dnq h ASP 50 Ca -0.00 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.02 2dnq h ASP 50 Cb 1.17 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 2dnq h ASP 50 CO 0.12 0.35 0.05 0.00 -3.12 0.00 0.00 179.24 176.64 2dnq h ALA 51 N 0.11 0.16 0.71 3.45 0.00 -0.77 -2.82 119.26 120.11 2dnq h ALA 51 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2dnq h ALA 51 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2dnq h ALA 51 CO 0.03 -0.25 -0.36 0.82 0.00 0.00 0.00 179.25 179.48 2dnq h ILE 52 N 0.05 0.26 -0.91 0.00 2.04 -1.15 0.28 117.51 118.08 2dnq h ILE 52 Ca 0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.07 2dnq h ILE 52 Cb 0.16 0.26 -0.17 0.00 -0.74 0.00 0.00 36.82 36.34 2dnq h ILE 52 CO -0.00 0.00 -0.29 0.03 0.00 0.00 0.00 178.15 177.89 2dnq h ARG 53 N -0.98 -0.02 0.00 2.37 3.08 -1.19 0.28 114.38 117.93 2dnq h ARG 53 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2dnq h ARG 53 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2dnq h ARG 53 CO 0.14 -0.01 0.00 0.09 -1.07 0.00 0.00 179.97 179.12 2dnq n ASN 54 N -5.54 0.00 -0.22 7.04 3.02 -1.06 -3.71 115.26 114.79 2dnq n ASN 54 Ca 0.12 0.66 0.16 0.00 -0.03 0.00 0.00 54.58 55.49 2dnq n ASN 54 Cb 0.43 -0.47 0.31 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.90 0.10 -4.73 3.41 4.77 0.96 -4.35 117.00 115.27 2dnq n LEU 55 Ca 0.00 1.10 -0.66 0.00 -0.03 0.00 0.00 56.01 56.42 2dnq n LEU 55 Cb 0.00 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 2dnq n LEU 55 CO 0.00 -1.18 1.13 1.57 -1.33 0.00 0.00 177.39 177.58 2dnq n HIS 56 N -4.64 1.72 -2.97 -1.77 -0.00 0.98 0.17 115.22 108.70 2dnq n HIS 56 Ca 0.21 1.07 -0.22 0.00 0.46 0.00 0.00 57.72 59.24 2dnq n HIS 56 Cb 0.70 -2.25 0.03 0.00 -0.12 0.00 0.00 29.99 28.35 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 3.97 -1.85 -2.35 1.57 8.25 0.22 -4.91 115.22 120.12 2dnq n HIS 57 Ca 0.30 0.45 -0.43 0.00 -0.26 0.00 0.00 57.72 57.78 2dnq n HIS 57 Cb -0.03 -4.28 -0.02 0.00 1.12 0.00 0.00 29.99 26.78 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 -3.13 2.68 -1.05 4.41 5.04 0.44 -4.69 117.35 121.05 2dnq s TYR 58 Ca 0.27 0.86 -0.25 0.00 -2.44 0.00 0.00 57.07 55.51 2dnq s TYR 58 Cb -0.12 -3.62 -0.17 0.00 0.35 0.00 0.00 41.96 38.40 2dnq s TYR 58 CO 0.34 -2.06 2.11 0.21 -1.34 0.00 0.00 175.55 174.80 2dnq s LYS 59 N 3.69 1.65 -0.16 4.97 2.20 -1.25 -3.70 119.74 127.14 2dnq s LYS 59 Ca 0.58 -0.44 -0.07 0.00 -0.36 0.00 0.00 55.97 55.68 2dnq s LYS 59 Cb -0.23 -5.02 -0.04 0.00 -1.51 0.00 0.00 37.83 31.03 2dnq s LYS 59 CO 0.18 -4.82 0.07 -1.17 -0.36 0.00 0.00 175.35 169.25 2dnq s LEU 60 N 14.76 3.92 -0.53 5.43 2.96 -0.50 -4.42 118.68 140.29 2dnq s LEU 60 Ca 0.79 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 2dnq s LEU 60 Cb -0.05 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.66 2dnq s LEU 60 CO 0.14 0.25 0.00 1.41 -1.32 0.00 0.00 176.35 176.83 2dnq n HIS 61 N 3.05 -1.52 -2.30 5.38 8.25 -1.26 0.12 115.22 126.95 2dnq n HIS 61 Ca -0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.24 2dnq n HIS 61 Cb 0.53 -1.81 0.00 0.00 1.12 0.00 0.00 29.99 29.84 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 -0.53 0.37 3.13 -1.41 0.00 -1.26 -5.05 105.19 100.43 2dnq n GLY 62 Ca -0.07 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.50 0.67 -0.60 1.61 0.11 0.33 -5.11 120.40 114.90 2dnq s VAL 63 Ca 0.04 -1.60 -0.11 0.00 -2.93 0.00 0.00 61.98 57.37 2dnq s VAL 63 Cb -0.02 -1.27 0.15 0.00 -1.53 0.00 0.00 36.38 33.71 2dnq s VAL 63 CO 0.05 -0.66 0.51 0.20 -3.33 0.00 0.00 175.10 171.86 2dnq s ASN 64 N -2.46 6.05 0.32 3.54 -0.87 -1.26 -1.42 114.94 118.83 2dnq s ASN 64 Ca 0.03 -2.21 -0.24 0.00 -1.57 0.00 0.00 52.86 48.88 2dnq s ASN 64 Cb -0.01 -2.09 -0.10 0.00 -0.02 0.00 0.00 41.25 39.03 2dnq s ASN 64 CO -0.02 -0.66 0.90 0.27 -2.57 0.00 0.00 177.10 175.01 2dnq s ILE 65 N 0.93 4.31 -0.27 0.60 -4.36 -1.24 -4.88 121.20 116.29 2dnq s ILE 65 Ca 0.10 1.66 -0.06 0.00 -0.26 0.00 0.00 60.65 62.09 2dnq s ILE 65 Cb -0.22 -3.92 -0.00 0.00 1.25 0.00 0.00 42.46 39.57 2dnq s ILE 65 CO -0.02 0.08 0.04 0.20 0.24 0.00 0.00 174.94 175.48 2dnq s ASN 66 N -1.72 4.90 -0.20 4.36 0.01 -1.22 0.69 114.94 121.77 2dnq s ASN 66 Ca 0.51 -0.55 -0.07 0.00 -0.71 0.00 0.00 52.86 52.04 2dnq s ASN 66 Cb -0.17 -1.85 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 2dnq s ASN 66 CO 0.22 -0.12 0.04 -0.69 -1.51 0.00 0.00 177.10 175.04 2dnq s VAL 67 N 1.51 4.45 -0.02 1.60 1.01 -1.26 -1.95 120.40 125.74 2dnq s VAL 67 Ca 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 2dnq s VAL 67 Cb -0.16 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2dnq s VAL 67 CO 0.01 0.43 0.15 -0.70 0.00 0.00 0.00 175.10 174.98 2dnq s GLU 68 N 0.77 0.39 0.38 2.72 2.12 -0.08 -4.79 118.70 120.20 2dnq s GLU 68 Ca 0.02 -0.19 -0.23 0.00 0.36 0.00 0.00 54.97 54.93 2dnq s GLU 68 Cb -0.14 0.16 -0.10 0.00 0.26 0.00 0.00 34.13 34.32 2dnq s GLU 68 CO 0.02 -0.08 0.96 0.00 -0.54 0.00 0.00 175.26 175.62 2dnq s ALA 69 N -0.89 3.11 0.00 6.30 0.00 -1.26 -0.59 121.76 128.43 2dnq s ALA 69 Ca -0.10 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2dnq s ALA 69 Cb -0.05 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2dnq s ALA 69 CO 0.01 0.11 0.19 0.45 0.00 0.00 0.00 175.76 176.52 2dnq n SER 70 N -0.08 0.00 -3.85 0.00 2.88 -1.26 -4.80 113.62 106.51 2dnq n SER 70 Ca 0.05 0.49 -0.26 0.00 -1.33 0.00 0.00 58.87 57.82 2dnq n SER 70 Cb 0.52 -0.39 -0.17 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.15 1.16 -1.08 -1.46 -0.14 -1.26 -5.07 119.74 110.74 2dnq s LYS 71 Ca 0.00 -0.22 -0.06 0.00 -1.36 0.00 0.00 55.97 54.33 2dnq s LYS 71 Cb 0.00 -1.54 0.29 0.00 -1.68 0.00 0.00 37.83 34.90 2dnq s LYS 71 CO 0.00 -0.34 1.24 0.09 -0.76 0.00 0.00 175.35 175.58 2dnq n ASN 72 N 5.00 5.80 -3.95 2.83 4.13 -1.26 -4.93 115.26 122.88 2dnq n ASN 72 Ca -0.10 -3.21 -0.29 0.00 1.68 0.00 0.00 54.58 52.66 2dnq n ASN 72 Cb 0.49 -1.30 -0.17 0.00 -1.54 0.00 0.00 39.78 37.26 2dnq n ASN 72 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2dnq s LYS 73 N -1.94 1.81 0.08 3.52 2.36 -1.26 -5.13 119.74 119.18 2dnq s LYS 73 Ca 0.31 -0.47 0.03 0.00 -2.55 0.00 0.00 55.97 53.29 2dnq s LYS 73 Cb -0.03 -1.93 -0.03 0.00 -1.05 0.00 0.00 37.83 34.78 2dnq s LYS 73 CO -0.00 -0.31 -0.10 -1.54 1.55 0.00 0.00 175.35 174.95 2dnq s SER 74 N 1.59 1.33 0.00 1.43 1.04 -1.26 -5.05 113.70 112.77 2dnq s SER 74 Ca 0.03 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2dnq s SER 74 Cb -0.14 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2dnq s SER 74 CO -0.09 -0.25 0.00 2.29 0.98 0.00 0.00 173.24 176.17 2dnq n LYS 75 N 0.74 0.88 -1.60 4.02 -0.00 -1.26 -5.08 118.16 115.86 2dnq n LYS 75 Ca -0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.84 2dnq n LYS 75 Cb 0.57 -0.90 0.16 0.00 -0.00 0.00 0.00 35.03 34.86 2dnq n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dnq s ALA 76 N -1.80 1.80 0.07 0.58 0.00 -1.26 -5.10 121.76 116.05 2dnq s ALA 76 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 2dnq s ALA 76 Cb 0.00 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 2dnq s ALA 76 CO 0.00 -2.47 0.07 -1.54 0.00 0.00 0.00 175.76 171.81 2dnq s SER 77 N -4.29 0.32 -0.75 0.00 1.04 -1.26 -5.11 113.70 103.66 2dnq s SER 77 Ca 0.67 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 56.16 2dnq s SER 77 Cb -0.11 0.26 0.20 0.00 0.10 0.00 0.00 66.02 66.47 2dnq s SER 77 CO 0.53 -0.65 0.66 -0.55 0.98 0.00 0.00 173.24 174.21 2dnq s SER 78 N -2.86 6.33 0.00 7.02 0.15 -1.26 -5.03 113.70 118.05 2dnq s SER 78 Ca 0.06 -2.64 0.00 0.00 0.70 0.00 0.00 55.95 54.07 2dnq s SER 78 Cb 0.06 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2dnq s SER 78 CO -0.10 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2dnq n GLY 79 N 3.99 5.98 0.51 9.45 0.00 -1.26 -4.99 105.19 118.86 2dnq n GLY 79 Ca 0.10 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.04 0.96 -3.78 1.61 -0.04 -1.26 -4.83 135.00 127.61 2dnq n PRO 80 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2dnq n PRO 80 Cb 0.00 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 2dnq n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dnq s SER 81 N -0.02 6.45 0.37 3.54 0.15 -1.26 -5.05 113.70 117.88 2dnq s SER 81 Ca 0.00 0.48 -0.25 0.00 0.70 0.00 0.00 55.95 56.88 2dnq s SER 81 Cb 0.00 -2.05 -0.13 0.00 -1.71 0.00 0.00 66.02 62.13 2dnq s SER 81 CO 0.00 0.16 0.78 -1.54 1.20 0.00 0.00 173.24 173.84 2dnq n SER 82 N 0.52 0.18 0.00 5.45 3.41 -1.26 -5.11 113.62 116.81 2dnq n SER 82 Ca -0.06 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 2dnq n SER 82 Cb 0.52 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2dnq n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49