#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 6.54 -3.74 1.61 2.88 -1.26 -4.87 113.62 114.78 2dnq n SER -5 Ca 0.00 -3.14 -0.11 0.00 -1.33 0.00 0.00 58.87 54.29 2dnq n SER -5 Cb 0.00 -1.11 -0.07 0.00 -0.75 0.00 0.00 64.21 62.29 2dnq n SER -5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnq s SER -4 N 0.13 -0.11 -0.02 -3.46 1.04 -1.26 -5.14 113.70 104.88 2dnq s SER -4 Ca 0.41 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.24 2dnq s SER -4 Cb 0.30 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 2dnq s SER -4 CO -0.07 -0.69 1.06 -0.83 0.98 0.00 0.00 173.24 173.70 2dnq s GLY -3 N -2.37 2.57 0.04 7.32 0.00 -1.26 -4.96 107.32 108.67 2dnq s GLY -3 Ca -0.01 0.58 -0.27 0.00 0.00 0.00 0.00 44.72 45.01 2dnq s GLY -3 CO -0.07 1.89 1.46 1.76 0.00 0.00 0.00 173.10 178.14 2dnq h SER -2 N 6.96 -0.37 -3.11 1.64 0.02 -2.01 -3.44 113.55 113.25 2dnq h SER -2 Ca -0.38 -0.09 -0.64 0.00 -0.84 0.00 0.00 61.79 59.84 2dnq h SER -2 Cb 1.19 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.75 2dnq h SER -2 CO 0.80 -0.12 -0.57 -0.44 -1.14 0.00 0.00 176.83 175.36 2dnq s SER -1 N -4.94 5.73 0.00 3.07 0.01 -1.26 -5.10 113.70 111.21 2dnq s SER -1 Ca -0.15 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2dnq s SER -1 Cb 0.03 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.65 2dnq s SER -1 CO 0.60 0.20 0.00 0.61 0.41 0.00 0.00 173.24 175.06 2dnq n GLY 0 N 0.65 0.73 3.27 3.44 0.00 -1.26 -5.19 105.19 106.83 2dnq n GLY 0 Ca -0.09 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 1.31 -0.04 1.61 0.00 -1.25 -4.55 119.30 114.38 2dnq s MET 1 Ca 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 55.69 54.06 2dnq s MET 1 Cb 0.00 0.31 0.03 0.00 0.00 0.00 0.00 34.83 35.17 2dnq s MET 1 CO 0.00 -0.46 0.06 0.08 0.00 0.00 0.00 175.02 174.70 2dnq s VAL 2 N -4.06 -0.11 0.43 5.16 1.01 -0.82 -4.92 120.40 117.09 2dnq s VAL 2 Ca 0.37 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 2dnq s VAL 2 Cb 0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 36.38 36.18 2dnq s VAL 2 CO 0.13 0.18 0.96 -0.75 0.00 0.00 0.00 175.10 175.61 2dnq s LYS 3 N 2.12 4.22 -0.06 2.72 2.20 -1.26 -0.68 119.74 129.01 2dnq s LYS 3 Ca 0.04 1.16 0.01 0.00 -0.36 0.00 0.00 55.97 56.81 2dnq s LYS 3 Cb -0.12 -2.22 0.02 0.00 -1.51 0.00 0.00 37.83 34.00 2dnq s LYS 3 CO -0.03 -0.04 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.37 2dnq s LEU 4 N -3.11 1.22 -0.04 5.43 1.43 0.21 -3.17 118.68 120.65 2dnq s LEU 4 Ca 0.61 -0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 53.32 2dnq s LEU 4 Cb -0.10 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 2dnq s LEU 4 CO 0.14 -0.08 0.75 0.12 0.23 0.00 0.00 176.35 177.52 2dnq s PHE 5 N 1.14 3.62 -0.28 0.29 5.36 -0.71 -1.14 117.98 126.25 2dnq s PHE 5 Ca -0.07 1.35 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 2dnq s PHE 5 Cb -0.14 -2.85 0.08 0.00 -0.34 0.00 0.00 43.02 39.78 2dnq s PHE 5 CO -0.01 0.11 0.02 0.42 -1.46 0.00 0.00 175.22 174.30 2dnq s ILE 6 N 0.66 1.49 0.41 3.12 1.01 0.34 -1.14 121.20 127.08 2dnq s ILE 6 Ca 0.40 -1.54 0.08 0.00 0.00 0.00 0.00 60.65 59.58 2dnq s ILE 6 Cb -0.19 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 2dnq s ILE 6 CO 0.20 -0.41 0.48 -0.83 0.00 0.00 0.00 174.94 174.39 2dnq s GLY 7 N 1.35 1.97 -1.03 6.18 0.00 0.41 -0.81 107.32 115.39 2dnq s GLY 7 Ca 0.03 -1.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.02 2dnq s GLY 7 CO -0.12 -1.55 0.87 -2.01 0.00 0.00 0.00 173.10 170.28 2dnq n ASN 8 N -1.70 -2.80 -4.82 1.64 5.15 -1.21 -0.78 115.26 110.73 2dnq n ASN 8 Ca 0.05 -0.50 -0.37 0.00 -0.60 0.00 0.00 54.58 53.16 2dnq n ASN 8 Cb 0.60 -4.34 -0.06 0.00 -0.53 0.00 0.00 39.78 35.45 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 -5.76 4.40 0.99 1.20 1.43 -1.22 -4.15 118.68 115.57 2dnq s LEU 9 Ca 0.10 1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 54.29 2dnq s LEU 9 Cb -0.05 -3.26 0.21 0.00 0.03 0.00 0.00 46.19 43.12 2dnq s LEU 9 CO 0.61 0.13 1.28 -2.16 0.23 0.00 0.00 176.35 176.44 2dnq s PRO 10 N -1.70 0.43 0.05 1.29 0.04 -1.26 -4.95 135.00 128.89 2dnq s PRO 10 Ca 0.37 -0.32 0.05 0.00 0.04 0.00 0.00 61.00 61.14 2dnq s PRO 10 Cb -0.17 -1.81 -0.24 0.00 0.04 0.00 0.00 34.50 32.32 2dnq s PRO 10 CO 0.20 -2.57 1.01 0.00 0.04 0.00 0.00 177.00 175.68 2dnq h ARG 11 N -1.76 0.08 -0.03 4.56 3.08 -1.98 -3.31 114.38 115.03 2dnq h ARG 11 Ca -0.45 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.32 2dnq h ARG 11 Cb 1.25 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 2dnq h ARG 11 CO 0.39 0.91 -0.69 0.93 -1.07 0.00 0.00 179.97 180.45 2dnq h GLU 12 N 0.02 0.13 -4.77 0.04 5.08 -1.97 -3.46 114.58 109.64 2dnq h GLU 12 Ca -0.14 -0.11 -0.52 0.00 -1.00 0.00 0.00 59.36 57.59 2dnq h GLU 12 Cb 1.90 0.02 0.10 0.00 0.50 0.00 0.00 28.75 31.28 2dnq h GLU 12 CO 0.13 0.77 -0.57 0.00 -1.00 0.00 0.00 179.01 178.33 2dnq n ALA 13 N -2.44 -2.57 -3.19 3.43 0.00 -1.25 -4.97 120.51 109.52 2dnq n ALA 13 Ca -0.02 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 2dnq n ALA 13 Cb 0.67 -1.23 -0.16 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.04 0.78 0.33 0.00 -4.23 -1.26 -5.01 115.64 105.21 2dnq s THR 14 Ca 0.49 -0.33 0.23 0.00 -1.18 0.00 0.00 61.69 60.90 2dnq s THR 14 Cb -0.64 -0.71 0.36 0.00 1.34 0.00 0.00 72.50 72.85 2dnq s THR 14 CO 0.47 0.25 1.24 1.21 -0.54 0.00 0.00 174.62 177.25 2dnq n GLU 15 N 3.49 -0.03 0.12 3.99 2.13 -1.26 -0.13 120.64 128.94 2dnq n GLU 15 Ca -0.20 1.02 -0.06 0.00 0.66 0.00 0.00 57.16 58.59 2dnq n GLU 15 Cb 0.53 -1.96 -0.03 0.00 0.27 0.00 0.00 31.44 30.26 2dnq n GLU 15 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2dnq h GLN 16 N 0.00 -0.35 -0.84 5.31 1.08 -1.95 -2.54 115.11 115.82 2dnq h GLN 16 Ca 0.69 0.02 0.33 0.00 -1.45 0.00 0.00 58.65 58.24 2dnq h GLN 16 Cb 2.10 0.08 -0.15 0.00 -0.05 0.00 0.00 27.48 29.45 2dnq h GLN 16 CO -0.45 -0.24 0.38 0.39 -0.95 0.00 0.00 178.83 177.97 2dnq n GLU 17 N -4.57 -0.05 -0.03 1.46 -0.58 0.82 0.17 120.64 117.85 2dnq n GLU 17 Ca -0.05 1.17 -0.16 0.00 -0.42 0.00 0.00 57.16 57.71 2dnq n GLU 17 Cb 0.14 -2.06 -0.09 0.00 -0.57 0.00 0.00 31.44 28.87 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 1.38 0.35 -3.67 1.08 -1.45 -3.09 117.51 112.11 2dnq h ILE 18 Ca 0.68 -1.78 -0.00 0.00 -0.39 0.00 0.00 64.86 63.36 2dnq h ILE 18 Cb 1.74 2.22 -0.03 0.00 -3.07 0.00 0.00 36.82 37.68 2dnq h ILE 18 CO -0.67 0.53 -0.39 -0.09 -0.69 0.00 0.00 178.15 176.84 2dnq h ARG 19 N 0.04 -0.75 -0.63 2.37 2.43 0.22 -2.65 114.38 115.41 2dnq h ARG 19 Ca -0.03 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 2dnq h ARG 19 Cb 1.08 0.17 -0.11 0.00 -0.42 0.00 0.00 29.97 30.69 2dnq h ARG 19 CO 0.09 -0.50 -0.07 1.03 -1.51 0.00 0.00 179.97 179.01 2dnq h SER 20 N -0.77 -0.43 -1.16 -3.80 0.87 -1.22 0.29 113.55 107.33 2dnq h SER 20 Ca -0.02 0.17 0.34 0.00 -1.23 0.00 0.00 61.79 61.05 2dnq h SER 20 Cb 0.71 0.33 -0.11 0.00 -0.44 0.00 0.00 62.40 62.89 2dnq h SER 20 CO -0.09 -0.17 0.75 -0.07 -0.53 0.00 0.00 176.83 176.72 2dnq h LEU 21 N 0.06 0.35 0.02 2.23 3.38 -1.39 0.54 115.31 120.49 2dnq h LEU 21 Ca 0.32 0.11 -0.27 0.00 0.09 0.00 0.00 57.88 58.13 2dnq h LEU 21 Cb 0.52 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2dnq h LEU 21 CO -0.60 -0.04 -1.49 -0.26 0.09 0.00 0.00 178.44 176.15 2dnq h PHE 22 N 0.25 0.06 -0.53 1.13 0.04 -0.40 -3.36 116.94 114.13 2dnq h PHE 22 Ca 0.69 -0.05 0.11 0.00 2.80 0.00 0.00 57.97 61.52 2dnq h PHE 22 Cb 1.98 -0.00 -0.09 0.00 2.20 0.00 0.00 35.95 40.04 2dnq h PHE 22 CO -0.00 1.07 -0.04 0.93 -0.60 0.00 0.00 178.31 179.67 2dnq h GLU 23 N 0.01 0.08 0.00 1.51 5.08 0.21 0.69 114.58 122.15 2dnq h GLU 23 Ca -0.20 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2dnq h GLU 23 Cb 1.94 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.17 2dnq h GLU 23 CO 0.10 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 2dnq n GLN 24 N -5.28 0.11 -0.88 2.33 10.64 -0.98 -1.23 117.38 122.08 2dnq n GLN 24 Ca 0.06 0.60 0.05 0.00 -1.83 0.00 0.00 57.00 55.88 2dnq n GLN 24 Cb 0.29 -1.86 0.13 0.00 -0.86 0.00 0.00 30.24 27.93 2dnq n GLN 24 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2dnq n TYR 25 N -2.11 0.00 0.00 2.61 4.01 0.21 -5.05 117.16 116.83 2dnq n TYR 25 Ca -0.01 -1.05 0.00 0.00 -0.16 0.00 0.00 57.90 56.68 2dnq n TYR 25 Cb 0.04 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 -0.51 4.26 3.70 2.72 0.00 0.56 -4.34 105.19 111.58 2dnq n GLY 26 Ca 0.13 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.72 4.26 -0.02 1.61 2.20 -1.26 -2.69 119.74 119.11 2dnq s LYS 27 Ca 0.00 2.16 -0.24 0.00 -0.36 0.00 0.00 55.97 57.53 2dnq s LYS 27 Cb 0.00 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2dnq s LYS 27 CO 0.00 -0.60 0.72 0.08 -0.36 0.00 0.00 175.35 175.20 2dnq s VAL 28 N 1.99 4.92 -0.21 4.02 1.01 -1.26 -1.83 120.40 129.04 2dnq s VAL 28 Ca 0.68 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 64.00 2dnq s VAL 28 Cb -0.37 -4.07 -0.13 0.00 0.00 0.00 0.00 36.38 31.81 2dnq s VAL 28 CO 0.30 0.30 -0.02 0.18 0.00 0.00 0.00 175.10 175.86 2dnq n LEU 29 N 3.33 1.87 -4.19 3.92 4.77 0.41 -4.98 117.00 122.15 2dnq n LEU 29 Ca -0.02 0.45 -0.19 0.00 -0.03 0.00 0.00 56.01 56.22 2dnq n LEU 29 Cb 0.51 -0.90 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 2dnq n LEU 29 CO 0.47 0.13 -0.46 -0.70 -1.33 0.00 0.00 177.39 175.50 2dnq s GLU 30 N -2.41 0.87 -0.25 3.23 2.56 -1.22 -4.99 118.70 116.49 2dnq s GLU 30 Ca -0.28 -1.01 -0.05 0.00 0.00 0.00 0.00 54.97 53.63 2dnq s GLU 30 Cb 0.07 -0.86 0.13 0.00 2.00 0.00 0.00 34.13 35.46 2dnq s GLU 30 CO 0.48 0.19 0.48 0.00 -0.56 0.00 0.00 175.26 175.85 2dnq s ASP 32 N 2.69 2.21 -0.23 0.00 1.01 -0.90 -4.97 116.67 116.47 2dnq s ASP 32 Ca 0.06 -1.04 -0.04 0.00 0.71 0.00 0.00 52.55 52.24 2dnq s ASP 32 Cb -0.14 -0.08 0.08 0.00 1.01 0.00 0.00 42.92 43.80 2dnq s ASP 32 CO -0.16 -0.27 0.12 -0.63 0.21 0.00 0.00 175.17 174.44 2dnq s ILE 33 N -3.15 -0.10 -0.03 0.77 1.01 -1.26 -1.34 121.20 117.10 2dnq s ILE 33 Ca 0.21 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 2dnq s ILE 33 Cb 0.01 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.71 2dnq s ILE 33 CO 0.05 -0.50 0.15 -0.63 0.00 0.00 0.00 174.94 174.01 2dnq s ILE 34 N 2.13 0.04 -1.16 2.92 1.01 0.29 -4.91 121.20 121.52 2dnq s ILE 34 Ca 0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 2dnq s ILE 34 Cb -0.16 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 2dnq s ILE 34 CO -0.23 -0.20 0.88 0.29 0.00 0.00 0.00 174.94 175.68 2dnq n LYS 35 N 2.17 -4.03 -1.84 2.79 5.02 -1.26 -1.41 118.16 119.60 2dnq n LYS 35 Ca -0.18 0.76 -0.08 0.00 -2.02 0.00 0.00 58.31 56.79 2dnq n LYS 35 Cb 0.57 -5.50 -0.02 0.00 -0.02 0.00 0.00 35.03 30.07 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 -3.09 -2.45 -3.95 4.39 3.02 -1.26 -4.88 115.26 107.03 2dnq n ASN 36 Ca -0.19 0.25 -0.10 0.00 -0.03 0.00 0.00 54.58 54.51 2dnq n ASN 36 Cb 0.64 -2.30 -0.11 0.00 -0.61 0.00 0.00 39.78 37.40 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 -2.03 0.19 0.03 3.10 -0.85 -0.50 -3.31 117.35 113.99 2dnq s TYR 37 Ca 0.00 -0.40 0.03 0.00 -0.52 0.00 0.00 57.07 56.18 2dnq s TYR 37 Cb 0.00 -0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.17 2dnq s TYR 37 CO 0.00 -0.20 -0.10 0.20 -1.52 0.00 0.00 175.55 173.93 2dnq s GLY 38 N -1.33 0.60 -0.12 5.49 0.00 0.01 0.10 107.32 112.07 2dnq s GLY 38 Ca -0.15 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 2dnq s GLY 38 CO -0.00 -0.70 -0.09 -1.36 0.00 0.00 0.00 173.10 170.95 2dnq s PHE 39 N -0.91 2.90 -0.17 1.90 0.08 -0.45 -0.51 117.98 120.83 2dnq s PHE 39 Ca -0.02 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.66 2dnq s PHE 39 Cb -0.08 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2dnq s PHE 39 CO 0.01 -0.03 -0.15 0.08 -0.10 0.00 0.00 175.22 175.02 2dnq s VAL 40 N 0.10 1.74 -0.68 -0.44 1.01 -0.29 -2.13 120.40 119.71 2dnq s VAL 40 Ca -0.03 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 2dnq s VAL 40 Cb -0.14 -1.66 0.17 0.00 0.00 0.00 0.00 36.38 34.76 2dnq s VAL 40 CO 0.04 0.41 0.62 -1.00 0.00 0.00 0.00 175.10 175.17 2dnq s HIS 41 N 1.40 3.51 0.81 5.22 3.76 -0.60 0.67 115.29 130.07 2dnq s HIS 41 Ca 0.03 -1.68 -0.11 0.00 -0.15 0.00 0.00 55.06 53.14 2dnq s HIS 41 Cb -0.14 -3.78 0.08 0.00 1.11 0.00 0.00 32.58 29.85 2dnq s HIS 41 CO -0.11 -1.00 1.10 -1.50 -0.85 0.00 0.00 174.74 172.38 2dnq s ILE 42 N 0.86 3.01 0.00 0.60 2.07 0.15 -0.44 121.20 127.45 2dnq s ILE 42 Ca 0.11 0.33 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 2dnq s ILE 42 Cb -0.20 -3.03 0.00 0.00 0.13 0.00 0.00 42.46 39.36 2dnq s ILE 42 CO -0.03 -0.43 0.49 1.21 -1.91 0.00 0.00 174.94 174.27 2dnq n GLU 43 N -3.50 0.00 -4.03 3.50 2.13 -0.76 -1.94 120.64 116.03 2dnq n GLU 43 Ca 0.07 0.26 -0.32 0.00 0.66 0.00 0.00 57.16 57.83 2dnq n GLU 43 Cb 0.56 -1.08 -0.06 0.00 0.27 0.00 0.00 31.44 31.13 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 5.85 0.12 4.31 1.01 -1.26 -3.76 116.67 120.93 2dnq s ASP 44 Ca 0.00 0.16 -0.26 0.00 0.71 0.00 0.00 52.55 53.17 2dnq s ASP 44 Cb 0.00 -1.71 -0.05 0.00 1.01 0.00 0.00 42.92 42.17 2dnq s ASP 44 CO 0.00 0.24 1.63 0.50 0.21 0.00 0.00 175.17 177.75 2dnq h LYS 45 N 3.74 -0.38 -0.94 8.23 1.63 -1.91 -1.86 116.57 125.07 2dnq h LYS 45 Ca -0.48 0.03 0.29 0.00 -0.85 0.00 0.00 60.65 59.63 2dnq h LYS 45 Cb 1.18 0.09 -0.15 0.00 -0.60 0.00 0.00 32.23 32.74 2dnq h LYS 45 CO 0.66 -0.26 0.33 1.15 -3.45 0.00 0.00 179.45 177.89 2dnq h THR 46 N -0.40 0.23 -0.99 1.00 2.02 -1.99 0.70 112.91 113.48 2dnq h THR 46 Ca 0.06 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.25 2dnq h THR 46 Cb 0.48 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 66.85 2dnq h THR 46 CO -0.23 0.03 0.64 0.00 0.37 0.00 0.00 175.52 176.33 2dnq h ALA 47 N 1.86 1.45 -0.22 6.16 0.00 -1.59 -2.44 119.26 124.47 2dnq h ALA 47 Ca 0.64 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.59 2dnq h ALA 47 Cb 1.42 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2dnq h ALA 47 CO -0.69 0.39 -0.14 0.00 0.00 0.00 0.00 179.25 178.80 2dnq h ALA 48 N 1.48 0.02 -0.68 0.00 0.00 0.52 -1.92 119.26 118.68 2dnq h ALA 48 Ca 0.44 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.56 2dnq h ALA 48 Cb 0.23 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 2dnq h ALA 48 CO -0.18 -0.56 0.20 0.93 0.00 0.00 0.00 179.25 179.63 2dnq h GLU 49 N -0.13 0.32 -1.01 0.00 5.08 -1.36 0.51 114.58 117.99 2dnq h GLU 49 Ca 0.12 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.62 2dnq h GLU 49 Cb 0.32 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 2dnq h GLU 49 CO -0.30 0.21 0.62 -0.44 -1.00 0.00 0.00 179.01 178.11 2dnq h ASP 50 N 0.33 0.87 0.00 1.42 5.19 -1.26 -1.86 116.42 121.11 2dnq h ASP 50 Ca 0.37 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 2dnq h ASP 50 Cb 0.56 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.98 2dnq h ASP 50 CO -0.42 0.40 -0.08 0.00 -3.12 0.00 0.00 179.24 176.01 2dnq h ALA 51 N 1.59 0.00 -0.58 3.45 0.00 -0.66 -3.36 119.26 119.71 2dnq h ALA 51 Ca 0.54 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.37 2dnq h ALA 51 Cb 0.68 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2dnq h ALA 51 CO -0.32 0.08 -0.34 -0.89 0.00 0.00 0.00 179.25 177.79 2dnq n ILE 52 N -3.42 -0.39 -0.35 0.00 5.41 0.16 0.52 119.36 121.28 2dnq n ILE 52 Ca -0.01 1.56 -0.02 0.00 1.00 0.00 0.00 62.75 65.27 2dnq n ILE 52 Cb 0.04 -1.94 0.01 0.00 -0.71 0.00 0.00 39.64 37.05 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 -4.51 -0.25 0.00 0.38 0.63 -0.70 0.61 116.66 112.82 2dnq n ARG 53 Ca 0.01 1.39 -0.00 0.00 -0.92 0.00 0.00 57.85 58.33 2dnq n ARG 53 Cb 0.15 -2.06 -0.00 0.00 0.45 0.00 0.00 32.46 31.00 2dnq n ARG 53 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2dnq h ASN 54 N 0.00 -0.00 -0.75 6.15 2.35 -0.16 -3.37 115.58 119.79 2dnq h ASN 54 Ca 0.29 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.11 2dnq h ASN 54 Cb 0.51 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.79 2dnq h ASN 54 CO -0.89 0.01 -0.41 0.18 -1.65 0.00 0.00 177.43 174.66 2dnq n LEU 55 N -2.09 -0.74 -3.94 1.61 4.77 0.18 -4.22 117.00 112.58 2dnq n LEU 55 Ca -0.00 1.33 -0.56 0.00 -0.03 0.00 0.00 56.01 56.75 2dnq n LEU 55 Cb 0.00 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 2dnq n LEU 55 CO 0.00 -1.11 1.05 1.57 -1.33 0.00 0.00 177.39 177.58 2dnq n HIS 56 N -4.97 1.40 -2.66 -1.77 -0.00 0.20 0.21 115.22 107.62 2dnq n HIS 56 Ca 0.03 0.92 -0.15 0.00 0.46 0.00 0.00 57.72 58.97 2dnq n HIS 56 Cb 0.22 -1.89 0.02 0.00 -0.12 0.00 0.00 29.99 28.21 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 3.87 -1.20 -3.14 1.57 8.25 -0.48 -4.93 115.22 119.16 2dnq n HIS 57 Ca 0.30 0.28 -0.34 0.00 -0.26 0.00 0.00 57.72 57.70 2dnq n HIS 57 Cb -0.05 -3.33 -0.06 0.00 1.12 0.00 0.00 29.99 27.67 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 -2.92 3.47 -0.57 4.41 6.14 0.56 -4.81 117.35 123.64 2dnq s TYR 58 Ca 0.16 1.26 -0.25 0.00 0.64 0.00 0.00 57.07 58.88 2dnq s TYR 58 Cb -0.07 -2.55 0.04 0.00 0.42 0.00 0.00 41.96 39.80 2dnq s TYR 58 CO 0.20 0.19 1.02 0.21 0.64 0.00 0.00 175.55 177.81 2dnq s LYS 59 N -2.62 3.38 -0.41 4.97 2.20 -1.25 -2.92 119.74 123.09 2dnq s LYS 59 Ca 0.50 -0.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.01 2dnq s LYS 59 Cb -0.12 -4.05 0.12 0.00 -1.51 0.00 0.00 37.83 32.26 2dnq s LYS 59 CO 0.19 -1.56 0.16 -1.17 -0.36 0.00 0.00 175.35 172.60 2dnq s LEU 60 N 4.28 3.71 -0.48 5.43 2.96 -0.63 -4.77 118.68 129.19 2dnq s LEU 60 Ca 0.34 -2.41 -0.02 0.00 -0.22 0.00 0.00 54.13 51.82 2dnq s LEU 60 Cb -0.11 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.22 2dnq s LEU 60 CO 0.21 -0.32 0.41 1.41 -1.32 0.00 0.00 176.35 176.74 2dnq n HIS 61 N 3.88 -0.96 -2.88 5.38 8.25 -1.26 -3.47 115.22 124.15 2dnq n HIS 61 Ca 0.04 0.36 -0.16 0.00 -0.26 0.00 0.00 57.72 57.71 2dnq n HIS 61 Cb 0.37 -2.75 0.03 0.00 1.12 0.00 0.00 29.99 28.77 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 -1.05 -0.15 2.99 -1.41 0.00 -1.26 -5.02 105.19 99.29 2dnq n GLY 62 Ca -0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.03 0.13 -0.97 1.61 0.11 -1.23 -5.09 120.40 111.93 2dnq s VAL 63 Ca 0.25 -0.94 -0.03 0.00 -2.93 0.00 0.00 61.98 58.33 2dnq s VAL 63 Cb -0.11 -0.31 0.26 0.00 -1.53 0.00 0.00 36.38 34.69 2dnq s VAL 63 CO 0.31 -0.51 1.06 0.59 -3.33 0.00 0.00 175.10 173.23 2dnq n ASN 64 N 1.55 5.11 -4.56 3.54 4.13 -1.26 -1.60 115.26 122.17 2dnq n ASN 64 Ca -0.24 -3.23 -0.37 0.00 1.68 0.00 0.00 54.58 52.42 2dnq n ASN 64 Cb 0.55 -1.15 0.06 0.00 -1.54 0.00 0.00 39.78 37.70 2dnq n ASN 64 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2dnq n ILE 65 N 1.93 2.96 -4.09 2.41 -5.35 -1.15 -4.76 119.36 111.31 2dnq n ILE 65 Ca 0.25 -0.46 -0.34 0.00 -0.27 0.00 0.00 62.75 61.93 2dnq n ILE 65 Cb 0.37 -0.97 -0.15 0.00 -1.74 0.00 0.00 39.64 37.15 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 -1.36 3.92 -0.12 7.28 0.01 0.04 -1.39 114.94 123.31 2dnq s ASN 66 Ca 0.73 -0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 52.41 2dnq s ASN 66 Cb -0.39 -1.65 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 2dnq s ASN 66 CO 0.51 0.01 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.32 2dnq s VAL 67 N 1.28 3.34 -0.04 1.60 1.01 -1.26 -0.45 120.40 125.88 2dnq s VAL 67 Ca 0.03 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2dnq s VAL 67 Cb -0.14 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2dnq s VAL 67 CO -0.05 0.53 -0.02 -1.61 0.00 0.00 0.00 175.10 173.95 2dnq s GLU 68 N 0.13 0.63 -0.92 2.72 0.41 -0.30 -4.80 118.70 116.57 2dnq s GLU 68 Ca -0.05 -0.02 -0.26 0.00 -0.41 0.00 0.00 54.97 54.24 2dnq s GLU 68 Cb -0.14 -0.74 -0.14 0.00 -1.78 0.00 0.00 34.13 31.32 2dnq s GLU 68 CO 0.04 -0.13 2.22 0.00 -0.49 0.00 0.00 175.26 176.90 2dnq s ALA 69 N 1.08 0.86 0.97 5.21 0.00 -1.26 -1.74 121.76 126.89 2dnq s ALA 69 Ca -0.09 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 2dnq s ALA 69 Cb -0.14 -4.62 0.08 0.00 0.00 0.00 0.00 23.12 18.44 2dnq s ALA 69 CO -0.01 -5.99 -0.09 0.43 0.00 0.00 0.00 175.76 170.10 2dnq n SER 70 N 17.91 -2.74 -3.73 0.00 7.64 -1.19 -4.95 113.62 126.55 2dnq n SER 70 Ca 0.44 -0.22 -0.13 0.00 1.01 0.00 0.00 58.87 59.97 2dnq n SER 70 Cb 0.45 -0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 62.82 2dnq n SER 70 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dnq s LYS 71 N -3.04 0.44 0.00 1.43 0.00 -1.26 -4.86 119.74 112.45 2dnq s LYS 71 Ca 0.36 0.57 0.00 0.00 0.00 0.00 0.00 55.97 56.90 2dnq s LYS 71 Cb -0.04 0.19 0.00 0.00 0.00 0.00 0.00 37.83 37.98 2dnq s LYS 71 CO 0.41 -0.07 0.00 -1.71 0.00 0.00 0.00 175.35 173.98 2dnq n ASN 72 N 3.07 0.69 -4.22 0.03 2.85 -1.26 -5.07 115.26 111.35 2dnq n ASN 72 Ca -0.15 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.02 2dnq n ASN 72 Cb 0.57 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.42 2dnq n ASN 72 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2dnq s LYS 73 N -1.81 2.45 -0.08 1.20 0.00 -1.26 -5.04 119.74 115.19 2dnq s LYS 73 Ca 0.00 -0.81 -0.24 0.00 0.00 0.00 0.00 55.97 54.92 2dnq s LYS 73 Cb 0.00 -2.02 -0.20 0.00 0.00 0.00 0.00 37.83 35.61 2dnq s LYS 73 CO 0.00 0.29 0.88 0.77 0.00 0.00 0.00 175.35 177.29 2dnq h SER 74 N 6.30 -0.05 -4.16 0.03 0.02 -1.98 -3.48 113.55 110.23 2dnq h SER 74 Ca -0.29 -0.64 -0.39 0.00 -0.84 0.00 0.00 61.79 59.64 2dnq h SER 74 Cb 1.19 0.01 -0.14 0.00 0.14 0.00 0.00 62.40 63.60 2dnq h SER 74 CO 0.47 0.67 -0.61 -0.54 -1.14 0.00 0.00 176.83 175.69 2dnq s LYS 75 N -3.02 1.49 0.20 3.45 3.01 -1.26 -5.05 119.74 118.57 2dnq s LYS 75 Ca -0.15 -1.82 -0.10 0.00 -1.01 0.00 0.00 55.97 52.89 2dnq s LYS 75 Cb -0.01 -0.42 0.15 0.00 -1.01 0.00 0.00 37.83 36.54 2dnq s LYS 75 CO 0.59 -0.28 1.85 0.00 0.51 0.00 0.00 175.35 178.02 2dnq h ALA 76 N 2.30 0.94 -2.64 5.17 0.00 -2.01 -3.36 119.26 119.65 2dnq h ALA 76 Ca -0.39 -0.08 -0.73 0.00 0.00 0.00 0.00 54.91 53.71 2dnq h ALA 76 Cb 1.25 -0.30 -0.29 0.00 0.00 0.00 0.00 17.79 18.45 2dnq h ALA 76 CO 0.63 0.41 -0.37 -1.12 0.00 0.00 0.00 179.25 178.80 2dnq s SER 77 N -5.96 5.74 -0.64 0.00 0.01 -1.26 -4.97 113.70 106.63 2dnq s SER 77 Ca -0.13 -1.97 -0.06 0.00 1.31 0.00 0.00 55.95 55.10 2dnq s SER 77 Cb 0.15 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.31 2dnq s SER 77 CO 0.79 -0.69 2.98 -1.54 0.41 0.00 0.00 173.24 175.19 2dnq n SER 78 N 4.84 6.71 -4.09 2.44 3.41 -1.26 -4.82 113.62 120.85 2dnq n SER 78 Ca -0.07 -2.90 -0.35 0.00 -0.26 0.00 0.00 58.87 55.29 2dnq n SER 78 Cb 0.41 -1.36 -0.11 0.00 -0.26 0.00 0.00 64.21 62.89 2dnq n SER 78 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dnq s GLY 79 N 1.09 2.20 -0.78 5.00 0.00 -1.26 -5.05 107.32 108.51 2dnq s GLY 79 Ca 0.62 -2.84 -0.26 0.00 0.00 0.00 0.00 44.72 42.24 2dnq s GLY 79 CO -0.11 1.05 1.64 2.56 0.00 0.00 0.00 173.10 178.24 2dnq s PRO 80 N 0.61 2.94 -1.49 2.90 0.04 -1.26 -3.78 135.00 134.96 2dnq s PRO 80 Ca 0.12 -0.13 -0.12 0.00 0.04 0.00 0.00 61.00 60.91 2dnq s PRO 80 Cb -0.22 -4.65 0.07 0.00 0.04 0.00 0.00 34.50 29.74 2dnq s PRO 80 CO -0.04 -2.61 0.96 0.43 0.04 0.00 0.00 177.00 175.78 2dnq n SER 81 N 11.37 -4.40 0.06 6.66 7.64 -1.26 -4.90 113.62 128.78 2dnq n SER 81 Ca 0.22 -0.77 -0.11 0.00 1.01 0.00 0.00 58.87 59.22 2dnq n SER 81 Cb 0.50 -3.99 -0.08 0.00 -1.01 0.00 0.00 64.21 59.64 2dnq n SER 81 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dnq h SER 82 N -2.11 -0.19 0.00 6.43 0.87 -1.98 -3.57 113.55 113.01 2dnq h SER 82 Ca -0.58 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 2dnq h SER 82 Cb 1.37 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2dnq h SER 82 CO 0.65 0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.92