#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 5.66 -0.46 1.61 0.15 -1.26 -5.06 113.70 114.34 2dnq s SER -5 Ca 0.00 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dnq s SER -5 Cb 0.00 -2.02 0.12 0.00 -1.71 0.00 0.00 66.02 62.42 2dnq s SER -5 CO 0.00 0.03 0.23 -0.94 1.20 0.00 0.00 173.24 173.77 2dnq s SER -4 N 1.24 5.00 0.00 5.45 1.04 -1.26 -4.70 113.70 120.47 2dnq s SER -4 Ca 0.06 -2.41 0.00 0.00 0.48 0.00 0.00 55.95 54.08 2dnq s SER -4 Cb -0.14 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.21 2dnq s SER -4 CO 0.05 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2dnq n GLY -3 N 4.03 0.70 0.27 7.32 0.00 -1.26 -4.99 105.19 111.26 2dnq n GLY -3 Ca 0.03 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -0.04 -4.32 1.61 2.88 -1.26 -3.32 113.62 109.17 2dnq n SER -2 Ca 0.00 1.34 -0.41 0.00 -1.33 0.00 0.00 58.87 58.48 2dnq n SER -2 Cb 0.00 -0.51 -0.10 0.00 -0.75 0.00 0.00 64.21 62.85 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 -4.95 5.75 0.06 -3.46 0.15 -1.26 -5.06 113.70 104.93 2dnq s SER -1 Ca -0.10 -1.32 -0.04 0.00 0.70 0.00 0.00 55.95 55.20 2dnq s SER -1 Cb 0.24 -2.03 -0.02 0.00 -1.71 0.00 0.00 66.02 62.50 2dnq s SER -1 CO 0.62 -0.51 0.05 -0.83 1.20 0.00 0.00 173.24 173.77 2dnq s GLY 0 N 2.01 0.32 0.83 9.45 0.00 -1.21 -5.16 107.32 113.56 2dnq s GLY 0 Ca 0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 2dnq s GLY 0 CO 0.04 -1.09 1.13 1.06 0.00 0.00 0.00 173.10 174.24 2dnq s MET 1 N -3.75 1.80 -0.11 2.90 1.00 -1.26 -4.52 119.30 115.37 2dnq s MET 1 Ca 0.05 0.37 -0.02 0.00 0.00 0.00 0.00 55.69 56.09 2dnq s MET 1 Cb 0.06 -1.91 0.04 0.00 0.00 0.00 0.00 34.83 33.02 2dnq s MET 1 CO -0.10 -1.76 0.02 0.08 0.00 0.00 0.00 175.02 173.27 2dnq s VAL 2 N -3.32 0.33 0.53 -6.03 1.01 -1.16 -4.92 120.40 106.84 2dnq s VAL 2 Ca 0.62 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.37 2dnq s VAL 2 Cb -0.13 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.53 2dnq s VAL 2 CO 0.52 0.07 0.99 -0.75 0.00 0.00 0.00 175.10 175.94 2dnq s LYS 3 N 1.97 3.88 -0.02 2.72 2.20 -1.26 -1.30 119.74 127.93 2dnq s LYS 3 Ca 0.03 0.94 0.03 0.00 -0.36 0.00 0.00 55.97 56.61 2dnq s LYS 3 Cb -0.14 -2.12 -0.00 0.00 -1.51 0.00 0.00 37.83 34.06 2dnq s LYS 3 CO -0.06 -0.33 -0.10 -0.51 -0.36 0.00 0.00 175.35 173.98 2dnq s LEU 4 N -4.21 1.85 -0.23 5.43 1.43 0.12 -3.71 118.68 119.36 2dnq s LEU 4 Ca 0.59 -0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 2dnq s LEU 4 Cb -0.10 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 2dnq s LEU 4 CO 0.34 0.09 0.29 0.12 0.23 0.00 0.00 176.35 177.42 2dnq s PHE 5 N 0.07 3.33 -0.22 0.29 2.19 -0.66 -1.93 117.98 121.05 2dnq s PHE 5 Ca -0.02 0.41 0.01 0.00 0.33 0.00 0.00 56.93 57.67 2dnq s PHE 5 Cb -0.08 -2.43 0.05 0.00 -1.31 0.00 0.00 43.02 39.26 2dnq s PHE 5 CO 0.00 -0.02 -0.08 0.42 1.83 0.00 0.00 175.22 177.37 2dnq s ILE 6 N 1.34 1.65 0.54 3.12 1.01 -0.29 -2.07 121.20 126.50 2dnq s ILE 6 Ca 0.13 -1.16 0.06 0.00 0.00 0.00 0.00 60.65 59.68 2dnq s ILE 6 Cb -0.14 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.56 2dnq s ILE 6 CO 0.07 0.04 0.41 -0.83 0.00 0.00 0.00 174.94 174.63 2dnq s GLY 7 N 1.37 2.36 -1.28 6.18 0.00 -0.85 -0.42 107.32 114.68 2dnq s GLY 7 Ca -0.04 -1.27 -0.02 0.00 0.00 0.00 0.00 44.72 43.39 2dnq s GLY 7 CO -0.07 -1.94 0.72 -2.01 0.00 0.00 0.00 173.10 169.80 2dnq n ASN 8 N -1.77 -1.87 -4.85 1.64 5.15 -1.22 -2.53 115.26 109.80 2dnq n ASN 8 Ca -0.01 -0.83 -0.36 0.00 -0.60 0.00 0.00 54.58 52.77 2dnq n ASN 8 Cb 0.64 -4.05 -0.06 0.00 -0.53 0.00 0.00 39.78 35.78 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 -6.58 4.40 0.92 1.20 1.43 -1.23 -4.29 118.68 114.53 2dnq s LEU 9 Ca 0.08 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 53.97 2dnq s LEU 9 Cb -0.02 -2.91 0.16 0.00 0.03 0.00 0.00 46.19 43.45 2dnq s LEU 9 CO 0.81 0.22 1.24 -2.16 0.23 0.00 0.00 176.35 176.69 2dnq s PRO 10 N -1.59 1.05 0.11 1.29 0.04 -1.26 -4.94 135.00 129.70 2dnq s PRO 10 Ca 0.31 -0.12 -0.05 0.00 0.04 0.00 0.00 61.00 61.18 2dnq s PRO 10 Cb -0.15 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 2dnq s PRO 10 CO 0.17 -2.18 1.26 0.07 0.04 0.00 0.00 177.00 176.36 2dnq h ARG 11 N -1.48 0.40 0.00 4.56 0.11 -1.98 -3.21 114.38 112.78 2dnq h ARG 11 Ca -0.46 -0.47 -0.10 0.00 0.10 0.00 0.00 59.98 59.05 2dnq h ARG 11 Cb 1.28 0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.49 2dnq h ARG 11 CO 0.51 1.14 -0.48 0.93 0.10 0.00 0.00 179.97 182.17 2dnq h GLU 12 N 0.21 0.00 -6.18 0.08 4.39 -1.98 -3.45 114.58 107.65 2dnq h GLU 12 Ca -0.10 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.94 2dnq h GLU 12 Cb 1.67 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 30.41 2dnq h GLU 12 CO 0.18 0.48 -0.13 0.00 -1.16 0.00 0.00 179.01 178.38 2dnq n ALA 13 N -2.42 -1.90 -2.57 3.43 0.00 -1.21 -4.98 120.51 110.85 2dnq n ALA 13 Ca -0.01 0.45 -0.17 0.00 0.00 0.00 0.00 53.44 53.70 2dnq n ALA 13 Cb 0.51 -1.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.03 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 -0.71 1.18 0.42 0.00 -4.23 -1.26 -4.98 115.64 106.06 2dnq s THR 14 Ca 0.68 -1.54 0.17 0.00 -1.18 0.00 0.00 61.69 59.82 2dnq s THR 14 Cb -0.90 -1.32 0.37 0.00 1.34 0.00 0.00 72.50 71.99 2dnq s THR 14 CO 0.56 -0.36 1.87 -0.33 -0.54 0.00 0.00 174.62 175.82 2dnq h GLU 15 N 3.83 0.40 -0.06 3.99 3.07 -1.93 -1.06 114.58 122.83 2dnq h GLU 15 Ca -0.40 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.40 2dnq h GLU 15 Cb 1.19 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2dnq h GLU 15 CO 0.47 0.27 -0.12 -0.56 -1.40 0.00 0.00 179.01 177.66 2dnq h GLN 16 N 0.42 0.18 -0.72 2.33 3.07 -1.95 -1.18 115.11 117.25 2dnq h GLN 16 Ca 0.45 -0.12 0.09 0.00 0.09 0.00 0.00 58.65 59.16 2dnq h GLN 16 Cb 1.09 0.02 -0.07 0.00 0.08 0.00 0.00 27.48 28.60 2dnq h GLN 16 CO -0.17 0.71 0.37 0.93 0.09 0.00 0.00 178.83 180.77 2dnq h GLU 17 N -0.32 0.62 -0.15 0.06 5.08 -1.64 -1.00 114.58 117.23 2dnq h GLU 17 Ca 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2dnq h GLU 17 Cb 0.71 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2dnq h GLU 17 CO 0.03 0.41 -0.17 0.82 -1.00 0.00 0.00 179.01 179.10 2dnq h ILE 18 N 0.64 1.35 0.24 3.13 1.08 -1.30 -3.01 117.51 119.64 2dnq h ILE 18 Ca 0.35 -1.35 -0.00 0.00 -0.39 0.00 0.00 64.86 63.47 2dnq h ILE 18 Cb 0.35 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.96 2dnq h ILE 18 CO -0.25 0.40 -0.42 -0.09 -0.69 0.00 0.00 178.15 177.09 2dnq h ARG 19 N 0.01 -0.68 -0.60 2.37 2.43 -0.70 -2.80 114.38 114.41 2dnq h ARG 19 Ca 0.02 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.34 2dnq h ARG 19 Cb 0.71 0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 30.30 2dnq h ARG 19 CO 0.04 -0.45 -0.37 1.03 -1.51 0.00 0.00 179.97 178.71 2dnq h SER 20 N -0.70 -1.28 -1.64 -3.80 0.87 -1.30 0.42 113.55 106.11 2dnq h SER 20 Ca -0.03 0.24 0.50 0.00 -1.23 0.00 0.00 61.79 61.27 2dnq h SER 20 Cb 0.66 0.62 -0.09 0.00 -0.44 0.00 0.00 62.40 63.14 2dnq h SER 20 CO -0.15 -0.31 1.15 0.18 -0.53 0.00 0.00 176.83 177.17 2dnq n LEU 21 N -5.43 0.06 -0.02 2.23 4.77 -1.06 0.22 117.00 117.77 2dnq n LEU 21 Ca 0.04 1.03 -0.14 0.00 -0.03 0.00 0.00 56.01 56.90 2dnq n LEU 21 Cb 0.36 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.79 2dnq n LEU 21 CO -0.01 -1.07 -0.74 0.49 -1.33 0.00 0.00 177.39 174.74 2dnq n PHE 22 N -4.02 0.98 0.21 -1.77 3.72 0.13 -3.99 117.46 112.72 2dnq n PHE 22 Ca 0.40 0.28 0.09 0.00 -0.05 0.00 0.00 57.45 58.16 2dnq n PHE 22 Cb 1.73 -1.15 0.48 0.00 -0.94 0.00 0.00 39.48 39.60 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 0.03 0.00 0.03 -1.08 5.08 0.39 0.53 114.58 119.56 2dnq h GLU 23 Ca -0.38 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.77 2dnq h GLU 23 Cb 2.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 2dnq h GLU 23 CO 0.07 0.00 -0.99 1.96 -1.00 0.00 0.00 179.01 179.05 2dnq h GLN 24 N 0.00 0.10 -0.11 2.33 4.20 -1.60 -3.30 115.11 116.73 2dnq h GLN 24 Ca 0.00 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 2dnq h GLN 24 Cb 0.60 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2dnq h GLN 24 CO 0.00 1.00 -0.09 0.66 -0.67 0.00 0.00 178.83 179.73 2dnq n TYR 25 N -3.49 0.38 0.00 2.96 4.02 0.17 -5.03 117.16 116.17 2dnq n TYR 25 Ca -0.03 -1.12 0.00 0.00 -0.01 0.00 0.00 57.90 56.74 2dnq n TYR 25 Cb 0.90 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.97 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 -1.11 4.73 3.75 2.72 0.00 -0.20 -4.51 105.19 110.56 2dnq n GLY 26 Ca 0.20 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.97 4.17 0.00 1.61 2.20 -1.26 -2.75 119.74 119.75 2dnq s LYS 27 Ca 0.00 2.48 -0.12 0.00 -0.36 0.00 0.00 55.97 57.97 2dnq s LYS 27 Cb 0.00 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2dnq s LYS 27 CO 0.00 -0.53 0.36 0.08 -0.36 0.00 0.00 175.35 174.90 2dnq s VAL 28 N -0.23 5.13 -0.17 4.02 1.01 -1.26 -1.92 120.40 126.98 2dnq s VAL 28 Ca 0.60 0.62 -0.13 0.00 0.00 0.00 0.00 61.98 63.06 2dnq s VAL 28 Cb -0.45 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 2dnq s VAL 28 CO 0.49 0.51 -0.29 0.18 0.00 0.00 0.00 175.10 175.98 2dnq n LEU 29 N 1.59 1.72 -4.33 3.92 4.77 -0.36 -4.97 117.00 119.35 2dnq n LEU 29 Ca -0.13 0.29 -0.27 0.00 -0.03 0.00 0.00 56.01 55.86 2dnq n LEU 29 Cb 0.53 -0.67 -0.13 0.00 -2.33 0.00 0.00 43.42 40.81 2dnq n LEU 29 CO 0.38 -0.02 -0.55 -0.70 -1.33 0.00 0.00 177.39 175.17 2dnq s GLU 30 N -2.62 1.42 -0.26 3.23 2.56 -1.24 -4.98 118.70 116.82 2dnq s GLU 30 Ca -0.27 -1.18 -0.03 0.00 0.00 0.00 0.00 54.97 53.49 2dnq s GLU 30 Cb 0.07 -1.73 0.15 0.00 2.00 0.00 0.00 34.13 34.62 2dnq s GLU 30 CO 0.37 0.42 0.45 0.00 -0.56 0.00 0.00 175.26 175.94 2dnq s ASP 32 N 2.65 2.68 -0.24 0.00 -1.08 -0.88 -4.90 116.67 114.89 2dnq s ASP 32 Ca 0.14 -1.12 -0.03 0.00 -0.52 0.00 0.00 52.55 51.02 2dnq s ASP 32 Cb -0.15 -0.15 0.11 0.00 -1.46 0.00 0.00 42.92 41.26 2dnq s ASP 32 CO -0.17 -0.27 0.22 -0.63 0.52 0.00 0.00 175.17 174.84 2dnq s ILE 33 N -2.99 -0.28 0.06 4.11 1.01 -1.26 -1.49 121.20 120.35 2dnq s ILE 33 Ca 0.27 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 2dnq s ILE 33 Cb 0.02 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 2dnq s ILE 33 CO 0.10 -0.39 0.13 -0.63 0.00 0.00 0.00 174.94 174.15 2dnq s ILE 34 N 2.28 0.15 -1.54 2.92 1.01 0.32 -4.89 121.20 121.45 2dnq s ILE 34 Ca 0.08 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.41 2dnq s ILE 34 Cb -0.15 -1.19 0.08 0.00 0.01 0.00 0.00 42.46 41.21 2dnq s ILE 34 CO -0.23 -0.67 0.75 0.29 0.00 0.00 0.00 174.94 175.07 2dnq n LYS 35 N 0.29 -4.09 -2.20 2.79 4.76 -1.26 0.44 118.16 118.89 2dnq n LYS 35 Ca -0.16 0.47 -0.19 0.00 -2.87 0.00 0.00 58.31 55.56 2dnq n LYS 35 Cb 0.61 -5.08 -0.03 0.00 -1.84 0.00 0.00 35.03 28.69 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 -5.26 -4.05 4.39 4.13 -1.26 -4.95 115.26 105.42 2dnq n ASN 36 Ca -0.07 0.14 -0.07 0.00 1.68 0.00 0.00 54.58 56.26 2dnq n ASN 36 Cb 0.57 -4.47 -0.10 0.00 -1.54 0.00 0.00 39.78 34.24 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 -2.84 0.44 -0.00 3.10 -0.85 0.17 -3.45 117.35 113.92 2dnq s TYR 37 Ca 0.00 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 2dnq s TYR 37 Cb 0.00 -0.33 -0.00 0.00 0.38 0.00 0.00 41.96 42.01 2dnq s TYR 37 CO 0.00 -0.38 -0.02 0.20 -1.52 0.00 0.00 175.55 173.84 2dnq s GLY 38 N -2.74 0.08 -0.15 5.49 0.00 0.43 0.12 107.32 110.56 2dnq s GLY 38 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 2dnq s GLY 38 CO -0.09 -0.08 -0.05 -1.36 0.00 0.00 0.00 173.10 171.52 2dnq s PHE 39 N -0.09 2.99 -0.18 1.90 0.08 -0.56 -1.13 117.98 121.00 2dnq s PHE 39 Ca 0.00 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.71 2dnq s PHE 39 Cb -0.01 -1.94 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2dnq s PHE 39 CO -0.00 -0.06 -0.15 0.08 -0.10 0.00 0.00 175.22 174.99 2dnq s VAL 40 N 0.35 1.78 -0.75 -0.44 1.01 -0.81 -2.08 120.40 119.45 2dnq s VAL 40 Ca -0.05 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2dnq s VAL 40 Cb -0.14 -1.71 0.18 0.00 0.00 0.00 0.00 36.38 34.70 2dnq s VAL 40 CO 0.03 0.38 0.74 -1.00 0.00 0.00 0.00 175.10 175.25 2dnq s HIS 41 N 1.38 3.52 0.85 5.22 3.76 -0.64 0.14 115.29 129.51 2dnq s HIS 41 Ca 0.02 -1.68 -0.11 0.00 -0.15 0.00 0.00 55.06 53.14 2dnq s HIS 41 Cb -0.14 -3.88 0.10 0.00 1.11 0.00 0.00 32.58 29.77 2dnq s HIS 41 CO -0.10 -1.07 1.09 -1.50 -0.85 0.00 0.00 174.74 172.31 2dnq s ILE 42 N 0.96 2.87 0.00 0.60 2.07 -0.42 -1.22 121.20 126.06 2dnq s ILE 42 Ca 0.15 0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.68 2dnq s ILE 42 Cb -0.15 -2.84 0.00 0.00 0.13 0.00 0.00 42.46 39.60 2dnq s ILE 42 CO -0.05 -0.37 0.60 1.21 -1.91 0.00 0.00 174.94 174.42 2dnq n GLU 43 N -3.71 0.00 -3.98 3.50 2.13 -0.81 -2.96 120.64 114.80 2dnq n GLU 43 Ca 0.07 0.39 -0.30 0.00 0.66 0.00 0.00 57.16 57.98 2dnq n GLU 43 Cb 0.55 -1.23 -0.05 0.00 0.27 0.00 0.00 31.44 30.98 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 -2.19 5.97 0.03 4.31 1.01 -1.26 -4.27 116.67 120.27 2dnq s ASP 44 Ca 0.00 0.13 -0.15 0.00 0.71 0.00 0.00 52.55 53.24 2dnq s ASP 44 Cb 0.00 -1.73 -0.08 0.00 1.01 0.00 0.00 42.92 42.12 2dnq s ASP 44 CO 0.00 0.16 1.23 0.50 0.21 0.00 0.00 175.17 177.26 2dnq h LYS 45 N 3.05 -0.46 -0.89 8.23 3.64 -1.89 -2.69 116.57 125.56 2dnq h LYS 45 Ca -0.46 0.03 0.34 0.00 -1.27 0.00 0.00 60.65 59.29 2dnq h LYS 45 Cb 1.17 0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 2dnq h LYS 45 CO 0.71 -0.31 0.36 2.41 -2.27 0.00 0.00 179.45 180.35 2dnq n THR 46 N -3.55 -0.38 -0.23 1.00 -1.04 -1.26 0.16 114.28 108.98 2dnq n THR 46 Ca -0.06 1.86 0.02 0.00 -2.04 0.00 0.00 64.05 63.83 2dnq n THR 46 Cb 0.20 -2.93 0.15 0.00 -1.82 0.00 0.00 70.33 65.93 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 1.79 0.94 0.14 2.41 0.00 -1.74 -2.82 119.26 119.99 2dnq h ALA 47 Ca 0.70 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.70 2dnq h ALA 47 Cb 1.77 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2dnq h ALA 47 CO -0.73 -0.17 -0.16 0.00 0.00 0.00 0.00 179.25 178.19 2dnq h ALA 48 N 1.48 -0.85 -0.82 0.00 0.00 0.15 -2.70 119.26 116.52 2dnq h ALA 48 Ca 0.36 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.38 2dnq h ALA 48 Cb 0.48 0.43 -0.16 0.00 0.00 0.00 0.00 17.79 18.54 2dnq h ALA 48 CO -0.34 -0.86 -0.20 0.39 0.00 0.00 0.00 179.25 178.23 2dnq n GLU 49 N -3.28 -0.07 -0.01 0.00 1.02 -1.12 0.32 120.64 117.49 2dnq n GLU 49 Ca -0.04 1.28 -0.12 0.00 -0.02 0.00 0.00 57.16 58.27 2dnq n GLU 49 Cb 0.14 -1.92 -0.06 0.00 -0.02 0.00 0.00 31.44 29.59 2dnq n GLU 49 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2dnq h ASP 50 N 0.00 -1.31 0.48 1.62 3.32 -1.24 -1.48 116.42 117.81 2dnq h ASP 50 Ca 0.40 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.60 2dnq h ASP 50 Cb 0.61 0.54 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2dnq h ASP 50 CO -0.84 -0.42 -0.23 0.00 -1.72 0.00 0.00 179.24 176.03 2dnq h ALA 51 N 0.16 -0.65 -0.61 3.45 0.00 0.16 -3.27 119.26 118.51 2dnq h ALA 51 Ca 0.08 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2dnq h ALA 51 Cb 0.62 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 2dnq h ALA 51 CO -0.41 -0.69 -0.36 -0.89 0.00 0.00 0.00 179.25 176.90 2dnq n ILE 52 N -5.25 -0.41 -0.39 0.00 5.41 0.12 0.39 119.36 119.23 2dnq n ILE 52 Ca -0.10 1.72 -0.08 0.00 1.00 0.00 0.00 62.75 65.29 2dnq n ILE 52 Cb 0.31 -2.15 -0.05 0.00 -0.71 0.00 0.00 39.64 37.04 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 -0.02 0.00 0.38 2.43 -1.35 0.36 114.38 116.19 2dnq h ARG 53 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2dnq h ARG 53 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2dnq h ARG 53 CO -0.57 -0.01 0.00 0.09 -1.51 0.00 0.00 179.97 177.97 2dnq n ASN 54 N -5.33 0.00 -0.23 -3.80 3.02 0.76 -3.35 115.26 106.32 2dnq n ASN 54 Ca 0.05 0.80 0.22 0.00 -0.03 0.00 0.00 54.58 55.62 2dnq n ASN 54 Cb 0.31 -0.50 0.40 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.99 0.21 -4.70 3.41 4.77 0.16 -4.39 117.00 114.48 2dnq n LEU 55 Ca 0.00 1.05 -0.62 0.00 -0.03 0.00 0.00 56.01 56.42 2dnq n LEU 55 Cb 0.00 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 2dnq n LEU 55 CO 0.00 -1.17 1.30 1.57 -1.33 0.00 0.00 177.39 177.75 2dnq n HIS 56 N -4.37 1.88 -2.94 -1.77 -0.00 0.13 0.99 115.22 109.13 2dnq n HIS 56 Ca 0.25 0.78 -0.19 0.00 0.46 0.00 0.00 57.72 59.03 2dnq n HIS 56 Cb 0.89 -2.36 0.03 0.00 -0.12 0.00 0.00 29.99 28.43 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 5.10 -1.73 -2.45 1.57 8.25 -0.49 -4.92 115.22 120.56 2dnq n HIS 57 Ca 0.30 0.47 -0.42 0.00 -0.26 0.00 0.00 57.72 57.82 2dnq n HIS 57 Cb 0.05 -4.02 -0.02 0.00 1.12 0.00 0.00 29.99 27.11 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 -3.10 2.40 -0.79 4.41 6.14 0.28 -4.75 117.35 121.94 2dnq s TYR 58 Ca 0.27 0.48 -0.32 0.00 0.64 0.00 0.00 57.07 58.14 2dnq s TYR 58 Cb -0.12 -4.42 -0.18 0.00 0.42 0.00 0.00 41.96 37.66 2dnq s TYR 58 CO 0.34 -1.85 2.53 1.17 0.64 0.00 0.00 175.55 178.38 2dnq n LYS 59 N 8.52 0.26 -3.89 4.97 4.81 -1.25 -4.31 118.16 127.26 2dnq n LYS 59 Ca 0.12 0.02 -0.30 0.00 -0.87 0.00 0.00 58.31 57.28 2dnq n LYS 59 Cb 0.49 -1.90 -0.14 0.00 0.02 0.00 0.00 35.03 33.50 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 8.95 3.85 -0.37 3.14 2.96 -0.67 -4.77 118.68 131.78 2dnq s LEU 60 Ca 1.25 -2.74 -0.00 0.00 -0.22 0.00 0.00 54.13 52.42 2dnq s LEU 60 Cb -1.08 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 44.16 2dnq s LEU 60 CO 0.48 -0.27 0.31 1.41 -1.32 0.00 0.00 176.35 176.96 2dnq n HIS 61 N 3.45 -0.68 -2.54 5.38 8.25 -1.26 -3.50 115.22 124.31 2dnq n HIS 61 Ca 0.05 0.28 -0.20 0.00 -0.26 0.00 0.00 57.72 57.60 2dnq n HIS 61 Cb 0.34 -2.85 0.00 0.00 1.12 0.00 0.00 29.99 28.61 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 -1.03 -0.43 3.15 -1.41 0.00 -1.26 -4.99 105.19 99.21 2dnq n GLY 62 Ca -0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.02 0.66 -0.59 1.61 0.11 -1.23 -5.11 120.40 112.83 2dnq s VAL 63 Ca 0.08 -1.76 0.00 0.00 -2.93 0.00 0.00 61.98 57.37 2dnq s VAL 63 Cb -0.04 -1.47 0.15 0.00 -1.53 0.00 0.00 36.38 33.50 2dnq s VAL 63 CO 0.10 -0.78 0.37 0.20 -3.33 0.00 0.00 175.10 171.67 2dnq s ASN 64 N -2.75 4.84 0.76 3.54 0.02 -1.26 -1.67 114.94 118.42 2dnq s ASN 64 Ca 0.07 -2.97 -0.13 0.00 -1.02 0.00 0.00 52.86 48.82 2dnq s ASN 64 Cb 0.02 -1.76 0.05 0.00 0.02 0.00 0.00 41.25 39.59 2dnq s ASN 64 CO -0.04 -0.30 1.14 0.27 0.02 0.00 0.00 177.10 178.19 2dnq s ILE 65 N -0.23 2.81 -0.23 0.60 -4.36 -1.26 -4.82 121.20 113.71 2dnq s ILE 65 Ca 0.17 0.32 -0.02 0.00 -0.26 0.00 0.00 60.65 60.87 2dnq s ILE 65 Cb -0.22 -2.75 0.01 0.00 1.25 0.00 0.00 42.46 40.75 2dnq s ILE 65 CO -0.02 -0.28 -0.08 0.20 0.24 0.00 0.00 174.94 175.00 2dnq s ASN 66 N -2.70 4.10 -0.16 4.36 0.01 -1.05 -1.40 114.94 118.10 2dnq s ASN 66 Ca 0.67 -0.63 -0.04 0.00 -0.71 0.00 0.00 52.86 52.15 2dnq s ASN 66 Cb -0.22 -1.67 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 2dnq s ASN 66 CO 0.50 -0.06 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.32 2dnq s VAL 67 N 1.39 4.04 -0.12 1.60 1.01 -1.26 -2.00 120.40 125.05 2dnq s VAL 67 Ca 0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 2dnq s VAL 67 Cb -0.15 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2dnq s VAL 67 CO -0.05 0.48 0.36 -1.83 0.00 0.00 0.00 175.10 174.06 2dnq s GLU 68 N 0.44 0.46 -0.33 2.72 -1.05 -0.88 -4.83 118.70 115.23 2dnq s GLU 68 Ca -0.02 0.44 -0.28 0.00 -0.15 0.00 0.00 54.97 54.96 2dnq s GLU 68 Cb -0.14 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.72 2dnq s GLU 68 CO 0.02 -0.07 2.17 0.00 0.95 0.00 0.00 175.26 178.34 2dnq s ALA 69 N 0.03 2.46 -0.22 -0.84 0.00 -1.26 -1.65 121.76 120.27 2dnq s ALA 69 Ca -0.01 0.42 -0.37 0.00 0.00 0.00 0.00 51.96 52.00 2dnq s ALA 69 Cb -0.03 -4.14 -0.14 0.00 0.00 0.00 0.00 23.12 18.81 2dnq s ALA 69 CO 0.01 -3.23 1.87 0.45 0.00 0.00 0.00 175.76 174.86 2dnq n SER 70 N 12.51 2.75 -4.79 0.00 2.88 -1.24 -4.85 113.62 120.88 2dnq n SER 70 Ca 0.30 0.94 -0.33 0.00 -1.33 0.00 0.00 58.87 58.45 2dnq n SER 70 Cb 0.48 -1.24 0.04 0.00 -0.75 0.00 0.00 64.21 62.73 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 4.18 2.97 -0.07 -1.46 2.20 -1.26 -4.89 119.74 121.41 2dnq s LYS 71 Ca 0.98 1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 57.57 2dnq s LYS 71 Cb -0.90 -1.98 0.11 0.00 -1.51 0.00 0.00 37.83 33.55 2dnq s LYS 71 CO 0.58 -1.10 0.92 0.54 -0.36 0.00 0.00 175.35 175.94 2dnq s ASN 72 N -2.81 -0.38 -0.19 1.43 4.22 -1.26 -5.15 114.94 110.80 2dnq s ASN 72 Ca 0.65 0.22 0.01 0.00 -2.14 0.00 0.00 52.86 51.59 2dnq s ASN 72 Cb -0.18 0.36 0.03 0.00 1.28 0.00 0.00 41.25 42.74 2dnq s ASN 72 CO 0.42 -0.50 -0.17 -0.75 -2.04 0.00 0.00 177.10 174.06 2dnq s LYS 73 N -2.15 2.70 0.23 3.55 2.47 -1.26 -5.11 119.74 120.16 2dnq s LYS 73 Ca 0.01 -0.89 -0.28 0.00 -1.56 0.00 0.00 55.97 53.26 2dnq s LYS 73 Cb -0.01 -2.56 -0.09 0.00 -1.46 0.00 0.00 37.83 33.72 2dnq s LYS 73 CO -0.03 -0.29 0.88 -1.12 0.16 0.00 0.00 175.35 174.95 2dnq s SER 74 N 1.29 7.52 0.11 1.43 0.01 -1.26 -5.06 113.70 117.74 2dnq s SER 74 Ca 0.02 1.83 -0.23 0.00 1.31 0.00 0.00 55.95 58.88 2dnq s SER 74 Cb -0.14 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.58 2dnq s SER 74 CO -0.11 0.15 0.56 -0.75 0.41 0.00 0.00 173.24 173.50 2dnq s LYS 75 N -1.29 1.18 -0.29 12.44 2.20 -1.26 -5.17 119.74 127.54 2dnq s LYS 75 Ca 0.40 -0.38 -0.18 0.00 -0.36 0.00 0.00 55.97 55.46 2dnq s LYS 75 Cb -0.24 0.54 0.15 0.00 -1.51 0.00 0.00 37.83 36.77 2dnq s LYS 75 CO 0.29 -0.48 1.01 0.00 -0.36 0.00 0.00 175.35 175.81 2dnq s ALA 76 N -3.23 -2.25 -0.43 3.13 0.00 -1.26 -5.04 121.76 112.68 2dnq s ALA 76 Ca -0.01 2.13 -0.02 0.00 0.00 0.00 0.00 51.96 54.06 2dnq s ALA 76 Cb -0.00 -1.69 0.21 0.00 0.00 0.00 0.00 23.12 21.64 2dnq s ALA 76 CO -0.08 -0.32 2.24 0.43 0.00 0.00 0.00 175.76 178.03 2dnq n SER 77 N 3.40 6.69 -3.92 0.00 7.64 -1.26 -4.89 113.62 121.28 2dnq n SER 77 Ca -0.17 -3.24 -0.22 0.00 1.01 0.00 0.00 58.87 56.24 2dnq n SER 77 Cb 0.57 -1.10 -0.08 0.00 -1.01 0.00 0.00 64.21 62.59 2dnq n SER 77 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dnq s SER 78 N -0.10 2.20 0.00 6.43 0.01 -1.26 -5.12 113.70 115.85 2dnq s SER 78 Ca 0.45 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2dnq s SER 78 Cb 0.33 0.48 0.00 0.00 0.21 0.00 0.00 66.02 67.03 2dnq s SER 78 CO -0.08 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.23 2dnq n GLY 79 N -0.75 -1.59 2.87 3.44 0.00 -1.26 -5.18 105.19 102.71 2dnq n GLY 79 Ca -0.01 0.78 -0.23 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 -1.47 -3.37 1.61 -0.04 -1.26 -5.01 135.00 125.46 2dnq n PRO 80 Ca 0.00 -1.50 -0.45 0.00 -0.04 0.00 0.00 63.50 61.51 2dnq n PRO 80 Cb 0.00 -1.10 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 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 -4.44 6.19 0.28 3.54 0.15 -1.26 -5.05 113.70 113.11 2dnq s SER 81 Ca 0.57 -2.01 -0.30 0.00 0.70 0.00 0.00 55.95 54.91 2dnq s SER 81 Cb -0.03 -2.17 -0.11 0.00 -1.71 0.00 0.00 66.02 62.01 2dnq s SER 81 CO 0.41 -0.76 1.48 -0.55 1.20 0.00 0.00 173.24 175.01 2dnq s SER 82 N 3.09 6.55 0.00 5.45 0.15 -1.26 -5.39 113.70 122.29 2dnq s SER 82 Ca 0.07 2.79 0.00 0.00 0.70 0.00 0.00 55.95 59.50 2dnq s SER 82 Cb -0.25 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 2dnq s SER 82 CO -0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28