#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 0.08 -0.03 1.61 0.15 -1.26 -5.11 113.70 109.14 2dnq s SER -5 Ca 0.00 -0.11 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 2dnq s SER -5 Cb 0.00 0.02 -0.08 0.00 -1.71 0.00 0.00 66.02 64.25 2dnq s SER -5 CO 0.00 -0.06 1.99 -0.55 1.20 0.00 0.00 173.24 175.82 2dnq s SER -4 N -0.30 6.25 1.11 5.45 0.15 -1.26 -4.97 113.70 120.13 2dnq s SER -4 Ca -0.03 2.44 -0.18 0.00 0.70 0.00 0.00 55.95 58.88 2dnq s SER -4 Cb -0.02 -2.53 0.25 0.00 -1.71 0.00 0.00 66.02 62.01 2dnq s SER -4 CO -0.00 -1.25 1.16 -0.83 1.20 0.00 0.00 173.24 173.52 2dnq s GLY -3 N 5.19 1.62 -1.27 9.45 0.00 -1.26 -4.27 107.32 116.78 2dnq s GLY -3 Ca 0.89 -0.94 -0.00 0.00 0.00 0.00 0.00 44.72 44.67 2dnq s GLY -3 CO 0.39 -0.12 0.78 1.44 0.00 0.00 0.00 173.10 175.60 2dnq n SER -2 N -4.43 -1.55 0.06 1.64 7.64 -1.26 -4.90 113.62 110.82 2dnq n SER -2 Ca 0.13 -0.77 -0.12 0.00 1.01 0.00 0.00 58.87 59.12 2dnq n SER -2 Cb 0.59 -4.36 -0.05 0.00 -1.01 0.00 0.00 64.21 59.39 2dnq n SER -2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dnq h SER -1 N -1.86 -0.80 0.00 6.43 0.02 -2.00 -3.46 113.55 111.87 2dnq h SER -1 Ca -0.61 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2dnq h SER -1 Cb 1.35 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.22 2dnq h SER -1 CO 0.54 -0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 2dnq n GLY 0 N -1.38 1.56 3.98 -3.77 0.00 -1.26 -4.86 105.19 99.45 2dnq n GLY 0 Ca -0.05 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 2.88 -0.03 1.61 0.00 -1.24 -4.31 119.30 118.20 2dnq s MET 1 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 55.69 54.88 2dnq s MET 1 Cb 0.00 -2.62 0.03 0.00 0.00 0.00 0.00 34.83 32.23 2dnq s MET 1 CO 0.00 -0.34 0.01 0.08 0.00 0.00 0.00 175.02 174.77 2dnq s VAL 2 N -2.51 0.15 0.27 5.16 1.01 -0.91 -4.90 120.40 118.67 2dnq s VAL 2 Ca 0.51 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 2dnq s VAL 2 Cb -0.10 -0.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.91 2dnq s VAL 2 CO 0.36 0.16 0.80 -0.75 0.00 0.00 0.00 175.10 175.66 2dnq s LYS 3 N 1.27 4.33 -0.11 2.72 2.20 -1.26 -1.20 119.74 127.68 2dnq s LYS 3 Ca -0.06 0.99 0.02 0.00 -0.36 0.00 0.00 55.97 56.56 2dnq s LYS 3 Cb -0.13 -2.79 0.01 0.00 -1.51 0.00 0.00 37.83 33.41 2dnq s LYS 3 CO -0.02 0.33 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.61 2dnq s LEU 4 N -2.12 1.85 -0.21 5.43 1.43 0.77 -2.78 118.68 123.05 2dnq s LEU 4 Ca 0.47 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.87 2dnq s LEU 4 Cb -0.16 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 2dnq s LEU 4 CO 0.21 0.04 0.67 0.12 0.23 0.00 0.00 176.35 177.63 2dnq s PHE 5 N 0.87 3.36 -0.15 0.29 5.36 -0.32 -1.96 117.98 125.43 2dnq s PHE 5 Ca -0.08 0.97 0.02 0.00 -0.96 0.00 0.00 56.93 56.87 2dnq s PHE 5 Cb -0.15 -2.86 0.02 0.00 -0.34 0.00 0.00 43.02 39.68 2dnq s PHE 5 CO -0.01 -0.23 -0.19 0.42 -1.46 0.00 0.00 175.22 173.75 2dnq s ILE 6 N 2.15 1.92 0.48 3.12 1.01 0.02 -1.80 121.20 128.10 2dnq s ILE 6 Ca 0.30 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2dnq s ILE 6 Cb -0.16 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 2dnq s ILE 6 CO 0.10 0.52 0.09 -0.83 0.00 0.00 0.00 174.94 174.82 2dnq s GLY 7 N 1.08 2.73 -1.24 6.18 0.00 -0.87 -0.55 107.32 114.66 2dnq s GLY 7 Ca -0.01 -1.14 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 2dnq s GLY 7 CO -0.07 -2.10 0.91 -2.01 0.00 0.00 0.00 173.10 169.83 2dnq n ASN 8 N -1.27 -1.79 -4.85 1.64 4.05 -1.22 -2.54 115.26 109.27 2dnq n ASN 8 Ca -0.11 -0.68 -0.37 0.00 0.45 0.00 0.00 54.58 53.86 2dnq n ASN 8 Cb 0.66 -4.79 -0.06 0.00 1.23 0.00 0.00 39.78 36.82 2dnq n ASN 8 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2dnq s LEU 9 N -6.47 4.43 0.00 1.20 1.43 -1.23 -4.36 118.68 113.68 2dnq s LEU 9 Ca 0.01 0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 53.68 2dnq s LEU 9 Cb -0.00 -2.33 0.18 0.00 0.03 0.00 0.00 46.19 44.07 2dnq s LEU 9 CO 0.76 0.36 1.06 -0.81 0.23 0.00 0.00 176.35 177.94 2dnq n PRO 10 N 1.97 -1.13 0.03 1.29 -0.04 -1.26 -4.89 135.00 130.97 2dnq n PRO 10 Ca -0.17 -1.64 -0.07 0.00 -0.04 0.00 0.00 63.50 61.59 2dnq n PRO 10 Cb 0.54 -1.11 -0.12 0.00 -0.04 0.00 0.00 33.50 32.77 2dnq n PRO 10 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2dnq h ARG 11 N 0.00 0.00 -0.36 0.54 9.65 -2.01 -3.31 114.38 118.89 2dnq h ARG 11 Ca -0.34 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.44 2dnq h ARG 11 Cb 0.95 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.52 2dnq h ARG 11 CO 0.24 0.76 -0.17 0.93 2.80 0.00 0.00 179.97 184.53 2dnq h GLU 12 N 0.00 0.65 -6.42 0.20 3.07 -2.00 -3.44 114.58 106.64 2dnq h GLU 12 Ca -0.12 -0.23 -0.61 0.00 -0.50 0.00 0.00 59.36 57.90 2dnq h GLU 12 Cb 1.83 -0.05 0.11 0.00 -0.84 0.00 0.00 28.75 29.80 2dnq h GLU 12 CO 0.10 0.79 0.02 0.00 -1.40 0.00 0.00 179.01 178.53 2dnq n ALA 13 N -2.49 -0.59 -2.69 3.43 0.00 -1.25 -4.99 120.51 111.93 2dnq n ALA 13 Ca 0.01 0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.66 2dnq n ALA 13 Cb 0.38 -1.96 -0.12 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.08 0.99 0.36 0.00 -4.23 -1.26 -4.99 115.64 105.42 2dnq s THR 14 Ca 0.60 -1.33 0.18 0.00 -1.18 0.00 0.00 61.69 59.95 2dnq s THR 14 Cb -0.72 -1.05 0.35 0.00 1.34 0.00 0.00 72.50 72.43 2dnq s THR 14 CO 0.59 -0.31 1.65 -0.33 -0.54 0.00 0.00 174.62 175.67 2dnq h GLU 15 N 4.18 0.23 0.32 3.99 5.08 -1.94 -1.46 114.58 124.99 2dnq h GLU 15 Ca -0.39 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2dnq h GLU 15 Cb 1.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2dnq h GLU 15 CO 0.43 0.15 -0.15 0.37 -1.00 0.00 0.00 179.01 178.81 2dnq h GLN 16 N 0.24 -0.41 -0.88 2.33 4.15 -1.95 -1.79 115.11 116.79 2dnq h GLN 16 Ca 0.76 0.03 0.12 0.00 0.77 0.00 0.00 58.65 60.33 2dnq h GLN 16 Cb 1.88 0.09 -0.13 0.00 0.21 0.00 0.00 27.48 29.53 2dnq h GLN 16 CO -0.61 -0.27 -0.39 0.39 -1.93 0.00 0.00 178.83 176.01 2dnq n GLU 17 N -3.82 -0.26 -0.05 1.69 -0.58 -0.64 0.33 120.64 117.32 2dnq n GLU 17 Ca -0.05 1.35 -0.09 0.00 -0.42 0.00 0.00 57.16 57.94 2dnq n GLU 17 Cb 0.17 -2.00 -0.03 0.00 -0.57 0.00 0.00 31.44 29.01 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 1.00 0.21 -3.67 1.08 -1.41 -2.50 117.51 112.22 2dnq h ILE 18 Ca 0.26 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.67 2dnq h ILE 18 Cb 0.48 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 2dnq h ILE 18 CO -0.86 0.04 -0.42 -0.09 -0.69 0.00 0.00 178.15 176.12 2dnq h ARG 19 N 0.22 -0.69 -0.52 2.37 2.43 0.80 -2.73 114.38 116.26 2dnq h ARG 19 Ca 0.08 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 2dnq h ARG 19 Cb 0.02 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.62 2dnq h ARG 19 CO -0.05 -0.46 -0.36 1.03 -1.51 0.00 0.00 179.97 178.62 2dnq h SER 20 N -0.72 -1.22 -0.89 -3.80 0.87 -0.58 0.11 113.55 107.33 2dnq h SER 20 Ca 0.00 0.22 0.31 0.00 -1.23 0.00 0.00 61.79 61.09 2dnq h SER 20 Cb 0.71 0.58 -0.16 0.00 -0.44 0.00 0.00 62.40 63.08 2dnq h SER 20 CO -0.19 -0.32 0.24 0.18 -0.53 0.00 0.00 176.83 176.20 2dnq n LEU 21 N -5.42 0.09 0.08 2.23 4.77 -0.95 0.21 117.00 118.00 2dnq n LEU 21 Ca 0.02 1.50 -0.13 0.00 -0.03 0.00 0.00 56.01 57.37 2dnq n LEU 21 Cb 0.35 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 40.67 2dnq n LEU 21 CO 0.02 -1.59 -0.03 -0.26 -1.33 0.00 0.00 177.39 174.21 2dnq h PHE 22 N 0.00 0.31 -0.07 -1.77 0.04 -0.81 -3.24 116.94 111.40 2dnq h PHE 22 Ca 0.64 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 61.21 2dnq h PHE 22 Cb 1.53 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.67 2dnq h PHE 22 CO -0.24 1.19 0.27 0.93 -0.60 0.00 0.00 178.31 179.85 2dnq h GLU 23 N 0.05 0.00 0.00 1.51 5.08 0.41 0.55 114.58 122.18 2dnq h GLU 23 Ca -0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2dnq h GLU 23 Cb 1.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 2dnq h GLU 23 CO 0.17 0.00 -0.36 1.96 -1.00 0.00 0.00 179.01 179.78 2dnq h GLN 24 N 0.00 0.00 -0.08 2.33 4.20 -1.40 -3.23 115.11 116.93 2dnq h GLN 24 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2dnq h GLN 24 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2dnq h GLN 24 CO -0.00 0.36 0.00 0.66 -0.67 0.00 0.00 178.83 179.18 2dnq n TYR 25 N -3.26 0.11 0.00 2.96 4.02 0.15 -5.04 117.16 116.10 2dnq n TYR 25 Ca 0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 2dnq n TYR 25 Cb 0.62 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 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 0.09 3.71 3.66 2.72 0.00 0.11 -4.59 105.19 110.91 2dnq n GLY 26 Ca 0.04 -0.20 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.48 2.10 -3.22 1.61 4.81 -1.26 -3.03 118.16 118.69 2dnq n LYS 27 Ca 0.00 0.76 -0.39 0.00 -0.87 0.00 0.00 58.31 57.81 2dnq n LYS 27 Cb 0.00 -2.52 -0.06 0.00 0.02 0.00 0.00 35.03 32.47 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 0.92 4.89 -0.14 3.15 1.01 -1.26 -1.75 120.40 127.23 2dnq s VAL 28 Ca 0.79 1.23 -0.12 0.00 0.00 0.00 0.00 61.98 63.88 2dnq s VAL 28 Cb -0.69 -3.92 -0.25 0.00 0.00 0.00 0.00 36.38 31.51 2dnq s VAL 28 CO 0.38 0.43 0.38 -0.07 0.00 0.00 0.00 175.10 176.23 2dnq h LEU 29 N 5.52 0.32 -7.71 3.92 3.38 -0.89 -3.48 115.31 116.36 2dnq h LEU 29 Ca -0.46 -0.82 -0.16 0.00 0.09 0.00 0.00 57.88 56.53 2dnq h LEU 29 Cb 1.20 -0.10 -0.22 0.00 0.09 0.00 0.00 40.66 41.63 2dnq h LEU 29 CO 0.69 1.72 -0.51 -0.70 0.09 0.00 0.00 178.44 179.74 2dnq s GLU 30 N -2.50 0.41 -0.18 1.13 2.12 -1.25 -4.99 118.70 113.45 2dnq s GLU 30 Ca -0.23 -0.25 -0.04 0.00 0.36 0.00 0.00 54.97 54.80 2dnq s GLU 30 Cb 0.06 0.17 0.09 0.00 0.26 0.00 0.00 34.13 34.71 2dnq s GLU 30 CO 0.73 -0.09 0.24 0.00 -0.54 0.00 0.00 175.26 175.59 2dnq s ASP 32 N 2.36 3.30 -0.25 0.00 1.11 -0.89 -4.89 116.67 117.42 2dnq s ASP 32 Ca 0.06 -1.10 -0.02 0.00 0.18 0.00 0.00 52.55 51.67 2dnq s ASP 32 Cb -0.15 -0.26 0.12 0.00 1.07 0.00 0.00 42.92 43.70 2dnq s ASP 32 CO -0.11 -0.13 0.26 -0.63 1.18 0.00 0.00 175.17 175.75 2dnq s ILE 33 N -2.70 -0.37 0.11 0.77 1.01 -1.26 -1.46 121.20 117.29 2dnq s ILE 33 Ca 0.29 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 2dnq s ILE 33 Cb -0.01 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 2dnq s ILE 33 CO 0.13 -0.35 0.15 -0.63 0.00 0.00 0.00 174.94 174.25 2dnq s ILE 34 N 2.35 0.13 -1.56 2.92 1.01 0.27 -4.89 121.20 121.44 2dnq s ILE 34 Ca 0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 60.65 59.24 2dnq s ILE 34 Cb -0.15 -1.60 0.03 0.00 0.01 0.00 0.00 42.46 40.75 2dnq s ILE 34 CO -0.23 -0.60 0.21 0.29 0.00 0.00 0.00 174.94 174.60 2dnq n LYS 35 N -0.07 -1.64 -3.13 2.79 5.02 -1.26 0.14 118.16 120.01 2dnq n LYS 35 Ca -0.12 0.19 -0.21 0.00 -2.02 0.00 0.00 58.31 56.15 2dnq n LYS 35 Cb 0.62 -4.02 0.01 0.00 -0.02 0.00 0.00 35.03 31.62 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 -2.86 -4.46 -3.88 4.39 3.02 -1.26 -4.95 115.26 105.27 2dnq n ASN 36 Ca -0.26 -0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 53.91 2dnq n ASN 36 Cb 0.66 -3.67 -0.09 0.00 -0.61 0.00 0.00 39.78 36.07 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 -2.96 0.10 0.01 3.10 -0.85 0.37 -3.41 117.35 113.72 2dnq s TYR 37 Ca 0.31 -0.32 0.02 0.00 -0.52 0.00 0.00 57.07 56.57 2dnq s TYR 37 Cb -0.16 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.10 2dnq s TYR 37 CO 0.39 -0.37 -0.08 0.20 -1.52 0.00 0.00 175.55 174.17 2dnq s GLY 38 N -1.91 0.40 -0.13 5.49 0.00 0.29 0.96 107.32 112.42 2dnq s GLY 38 Ca -0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 44.72 44.21 2dnq s GLY 38 CO -0.03 -0.40 -0.13 -1.36 0.00 0.00 0.00 173.10 171.19 2dnq s PHE 39 N -0.45 2.82 -0.18 1.90 0.08 -0.54 -0.80 117.98 120.82 2dnq s PHE 39 Ca 0.00 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.42 2dnq s PHE 39 Cb -0.04 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.58 2dnq s PHE 39 CO 0.00 -0.21 -0.15 0.08 -0.10 0.00 0.00 175.22 174.84 2dnq s VAL 40 N 0.37 1.76 -0.84 -0.44 1.01 -0.83 -2.08 120.40 119.35 2dnq s VAL 40 Ca -0.10 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 2dnq s VAL 40 Cb -0.16 -1.69 0.20 0.00 0.00 0.00 0.00 36.38 34.73 2dnq s VAL 40 CO 0.05 0.39 0.84 -1.00 0.00 0.00 0.00 175.10 175.38 2dnq s HIS 41 N 1.39 3.60 0.64 5.22 3.76 -0.69 -0.16 115.29 129.04 2dnq s HIS 41 Ca 0.03 -1.83 -0.16 0.00 -0.15 0.00 0.00 55.06 52.95 2dnq s HIS 41 Cb -0.14 -3.92 -0.01 0.00 1.11 0.00 0.00 32.58 29.62 2dnq s HIS 41 CO -0.10 -1.10 1.11 -1.50 -0.85 0.00 0.00 174.74 172.30 2dnq s ILE 42 N 0.78 3.22 0.02 0.60 2.07 -0.34 -0.19 121.20 127.36 2dnq s ILE 42 Ca 0.20 0.60 -0.08 0.00 -1.41 0.00 0.00 60.65 59.96 2dnq s ILE 42 Cb -0.10 -3.13 -0.04 0.00 0.13 0.00 0.00 42.46 39.32 2dnq s ILE 42 CO -0.08 -0.32 1.13 -0.08 -1.91 0.00 0.00 174.94 173.67 2dnq h GLU 43 N 0.22 -0.26 -6.30 3.50 4.57 -1.63 -2.41 114.58 112.28 2dnq h GLU 43 Ca -0.47 0.02 -0.65 0.00 -1.18 0.00 0.00 59.36 57.07 2dnq h GLU 43 Cb 1.25 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 29.77 2dnq h GLU 43 CO 0.54 -0.17 -0.66 -0.51 -1.18 0.00 0.00 179.01 177.03 2dnq s ASP 44 N -2.61 5.05 0.10 1.04 1.01 -1.26 -3.59 116.67 116.42 2dnq s ASP 44 Ca -0.04 -0.13 -0.24 0.00 0.71 0.00 0.00 52.55 52.85 2dnq s ASP 44 Cb 0.01 -1.24 -0.11 0.00 1.01 0.00 0.00 42.92 42.59 2dnq s ASP 44 CO 0.14 0.20 1.70 0.50 0.21 0.00 0.00 175.17 177.92 2dnq h LYS 45 N 3.67 -0.17 -0.59 8.23 3.64 -1.86 -1.72 116.57 127.77 2dnq h LYS 45 Ca -0.48 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.08 2dnq h LYS 45 Cb 1.17 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2dnq h LYS 45 CO 0.59 -0.12 0.44 1.15 -2.27 0.00 0.00 179.45 179.24 2dnq h THR 46 N -0.18 0.66 0.00 1.00 2.02 -1.97 0.27 112.91 114.70 2dnq h THR 46 Ca 0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 2dnq h THR 46 Cb 0.20 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2dnq h THR 46 CO -0.06 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 175.59 2dnq h ALA 47 N 1.68 1.44 0.20 6.16 0.00 -1.57 -3.13 119.26 124.03 2dnq h ALA 47 Ca 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dnq h ALA 47 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2dnq h ALA 47 CO -0.00 0.30 -0.10 0.00 0.00 0.00 0.00 179.25 179.44 2dnq h ALA 48 N 1.76 -0.27 -0.70 0.00 0.00 -0.41 -3.22 119.26 116.43 2dnq h ALA 48 Ca -0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.79 2dnq h ALA 48 Cb 0.47 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 2dnq h ALA 48 CO 0.03 -0.37 -0.31 0.39 0.00 0.00 0.00 179.25 179.00 2dnq n GLU 49 N -4.98 -0.20 -0.14 0.00 1.02 -1.18 0.16 120.64 115.33 2dnq n GLU 49 Ca -0.08 1.07 -0.04 0.00 -0.02 0.00 0.00 57.16 58.09 2dnq n GLU 49 Cb 0.26 -1.59 0.05 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.10 0.19 1.62 3.58 -1.65 -2.17 116.42 118.10 2dnq h ASP 50 Ca 0.21 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 2dnq h ASP 50 Cb 0.39 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2dnq h ASP 50 CO -0.69 0.09 -0.09 0.00 -2.88 0.00 0.00 179.24 175.67 2dnq h ALA 51 N 1.31 -0.55 -0.24 -0.78 0.00 0.16 -3.27 119.26 115.90 2dnq h ALA 51 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2dnq h ALA 51 Cb 0.24 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2dnq h ALA 51 CO -0.24 -0.53 -0.14 -0.89 0.00 0.00 0.00 179.25 177.45 2dnq n ILE 52 N -3.28 -0.16 0.00 0.00 5.41 0.28 -0.50 119.36 121.11 2dnq n ILE 52 Ca -0.03 1.23 0.00 0.00 1.00 0.00 0.00 62.75 64.95 2dnq n ILE 52 Cb 0.10 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 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 -3.43 0.00 -0.00 0.38 0.63 -0.82 0.11 116.66 113.53 2dnq n ARG 53 Ca 0.00 0.61 -0.01 0.00 -0.92 0.00 0.00 57.85 57.54 2dnq n ARG 53 Cb 0.06 -1.02 -0.00 0.00 0.45 0.00 0.00 32.46 31.94 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 -0.07 -1.90 6.15 2.35 -1.37 0.59 115.58 121.33 2dnq h ASN 54 Ca 0.00 0.01 0.55 0.00 -0.55 0.00 0.00 56.30 56.31 2dnq h ASN 54 Cb 0.00 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.32 2dnq h ASN 54 CO 0.00 -0.02 1.42 0.18 -1.65 0.00 0.00 177.43 177.36 2dnq n LEU 55 N -2.68 0.00 -4.68 1.61 4.77 0.34 -4.24 117.00 112.12 2dnq n LEU 55 Ca -0.00 0.97 -0.46 0.00 -0.03 0.00 0.00 56.01 56.49 2dnq n LEU 55 Cb 0.01 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 2dnq n LEU 55 CO 0.00 -0.97 1.41 1.57 -1.33 0.00 0.00 177.39 178.07 2dnq n HIS 56 N -3.85 2.36 -2.67 -1.77 -0.00 0.31 -0.86 115.22 108.74 2dnq n HIS 56 Ca 0.43 0.03 -0.20 0.00 0.46 0.00 0.00 57.72 58.43 2dnq n HIS 56 Cb 1.98 -2.65 0.01 0.00 -0.12 0.00 0.00 29.99 29.21 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 5.65 -1.43 -2.38 1.57 8.25 -0.25 -4.92 115.22 121.71 2dnq n HIS 57 Ca 0.20 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.44 2dnq n HIS 57 Cb 0.31 -3.92 -0.03 0.00 1.12 0.00 0.00 29.99 27.47 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 -3.02 3.41 -1.00 4.41 5.04 -0.04 -4.72 117.35 121.42 2dnq s TYR 58 Ca 0.12 1.27 -0.23 0.00 -2.44 0.00 0.00 57.07 55.79 2dnq s TYR 58 Cb -0.06 -3.46 0.03 0.00 0.35 0.00 0.00 41.96 38.82 2dnq s TYR 58 CO 0.15 -1.42 1.56 0.21 -1.34 0.00 0.00 175.55 174.71 2dnq s LYS 59 N 0.86 3.38 -0.12 4.97 2.20 -1.26 -3.54 119.74 126.24 2dnq s LYS 59 Ca 0.59 -0.97 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 2dnq s LYS 59 Cb -0.31 -5.30 -0.03 0.00 -1.51 0.00 0.00 37.83 30.68 2dnq s LYS 59 CO 0.30 -2.46 -0.07 -1.17 -0.36 0.00 0.00 175.35 171.60 2dnq s LEU 60 N 6.02 3.10 -1.01 5.43 2.96 -0.77 -4.53 118.68 129.87 2dnq s LEU 60 Ca 0.51 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2dnq s LEU 60 Cb -0.01 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.97 2dnq s LEU 60 CO -0.08 0.24 0.00 1.41 -1.32 0.00 0.00 176.35 176.60 2dnq n HIS 61 N 3.07 -1.11 -2.55 5.38 8.25 -1.26 0.06 115.22 127.06 2dnq n HIS 61 Ca -0.18 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.21 2dnq n HIS 61 Cb 0.53 -2.46 0.01 0.00 1.12 0.00 0.00 29.99 29.19 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 -0.56 0.31 3.03 -1.41 0.00 -1.26 -5.05 105.19 100.25 2dnq n GLY 62 Ca -0.12 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.78 0.16 -0.33 1.61 0.11 0.11 -5.13 120.40 114.14 2dnq s VAL 63 Ca 0.11 -1.30 -0.12 0.00 -2.93 0.00 0.00 61.98 57.74 2dnq s VAL 63 Cb -0.05 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2dnq s VAL 63 CO 0.14 -0.72 0.22 0.20 -3.33 0.00 0.00 175.10 171.61 2dnq s ASN 64 N -2.10 5.94 0.17 3.54 -0.87 -1.26 -1.85 114.94 118.50 2dnq s ASN 64 Ca -0.06 -0.44 0.03 0.00 -1.57 0.00 0.00 52.86 50.83 2dnq s ASN 64 Cb -0.02 -2.11 -0.04 0.00 -0.02 0.00 0.00 41.25 39.07 2dnq s ASN 64 CO -0.05 -0.22 0.26 0.27 -2.57 0.00 0.00 177.10 174.79 2dnq s ILE 65 N 1.70 5.11 -0.17 0.60 -4.36 -1.23 -4.82 121.20 118.02 2dnq s ILE 65 Ca 0.06 -0.83 -0.01 0.00 -0.26 0.00 0.00 60.65 59.61 2dnq s ILE 65 Cb -0.17 -3.65 -0.00 0.00 1.25 0.00 0.00 42.46 39.88 2dnq s ILE 65 CO 0.10 -0.13 -0.13 0.20 0.24 0.00 0.00 174.94 175.22 2dnq s ASN 66 N -3.32 3.81 -0.24 4.36 0.01 -1.05 -1.09 114.94 117.42 2dnq s ASN 66 Ca 0.34 -0.45 -0.03 0.00 -0.71 0.00 0.00 52.86 52.01 2dnq s ASN 66 Cb -0.10 -1.61 0.01 0.00 0.41 0.00 0.00 41.25 39.96 2dnq s ASN 66 CO 0.27 0.06 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.18 2dnq s VAL 67 N 0.99 3.09 -0.08 1.60 1.01 -1.26 -2.05 120.40 123.69 2dnq s VAL 67 Ca -0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2dnq s VAL 67 Cb -0.15 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.79 2dnq s VAL 67 CO -0.02 0.30 0.19 -1.83 0.00 0.00 0.00 175.10 173.74 2dnq s GLU 68 N 1.40 0.15 0.30 2.72 -1.05 -0.74 -4.82 118.70 116.66 2dnq s GLU 68 Ca 0.03 0.43 -0.30 0.00 -0.15 0.00 0.00 54.97 54.98 2dnq s GLU 68 Cb -0.15 -0.13 -0.12 0.00 -0.44 0.00 0.00 34.13 33.29 2dnq s GLU 68 CO -0.04 -0.15 1.45 0.00 0.95 0.00 0.00 175.26 177.47 2dnq n ALA 69 N 4.09 1.82 -2.02 -0.84 0.00 -1.26 -1.17 120.51 121.12 2dnq n ALA 69 Ca -0.25 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2dnq n ALA 69 Cb 0.53 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 2dnq n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dnq s SER 70 N 0.14 6.68 -0.13 0.00 0.15 -1.12 -4.73 113.70 114.68 2dnq s SER 70 Ca 0.61 2.49 -0.04 0.00 0.70 0.00 0.00 55.95 59.72 2dnq s SER 70 Cb -0.55 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.23 2dnq s SER 70 CO 0.55 -0.77 0.19 -0.54 1.20 0.00 0.00 173.24 173.87 2dnq s LYS 71 N 1.29 0.10 -0.16 5.44 -0.14 -1.26 -4.94 119.74 120.07 2dnq s LYS 71 Ca 0.68 0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 55.44 2dnq s LYS 71 Cb -0.41 -0.60 0.13 0.00 -1.68 0.00 0.00 37.83 35.27 2dnq s LYS 71 CO 0.31 -0.43 1.01 0.54 -0.76 0.00 0.00 175.35 176.02 2dnq s ASN 72 N 2.32 -0.36 0.31 2.83 2.20 -1.26 -5.19 114.94 115.79 2dnq s ASN 72 Ca 0.04 0.39 0.02 0.00 -0.94 0.00 0.00 52.86 52.36 2dnq s ASN 72 Cb -0.13 0.29 -0.02 0.00 -2.00 0.00 0.00 41.25 39.39 2dnq s ASN 72 CO -0.08 -0.34 0.33 -0.54 -2.94 0.00 0.00 177.10 173.53 2dnq s LYS 73 N -1.13 1.71 -0.64 3.55 -0.14 -1.26 -5.11 119.74 116.72 2dnq s LYS 73 Ca -0.01 -1.84 -0.17 0.00 -1.36 0.00 0.00 55.97 52.59 2dnq s LYS 73 Cb -0.00 0.36 0.13 0.00 -1.68 0.00 0.00 37.83 36.64 2dnq s LYS 73 CO 0.01 -0.65 0.68 -1.12 -0.76 0.00 0.00 175.35 173.51 2dnq s SER 74 N -3.28 6.31 -0.20 2.83 0.01 -1.26 -4.93 113.70 113.18 2dnq s SER 74 Ca 0.36 -1.78 -0.03 0.00 1.31 0.00 0.00 55.95 55.81 2dnq s SER 74 Cb 0.02 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 2dnq s SER 74 CO 0.22 -0.95 2.77 0.29 0.41 0.00 0.00 173.24 175.98 2dnq n LYS 75 N 5.66 1.90 -1.93 12.44 4.76 -1.26 -4.91 118.16 134.83 2dnq n LYS 75 Ca -0.05 -1.33 -0.40 0.00 -2.87 0.00 0.00 58.31 53.66 2dnq n LYS 75 Cb 0.43 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 2dnq n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dnq s ALA 76 N -0.53 2.44 -0.28 7.82 0.00 -1.26 -4.93 121.76 125.02 2dnq s ALA 76 Ca 0.46 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.36 2dnq s ALA 76 Cb 0.27 -4.17 0.09 0.00 0.00 0.00 0.00 23.12 19.31 2dnq s ALA 76 CO -0.07 -3.34 0.06 0.45 0.00 0.00 0.00 175.76 172.86 2dnq s SER 77 N 7.77 3.87 -0.07 0.00 0.15 -1.26 -5.10 113.70 119.07 2dnq s SER 77 Ca 0.79 -1.46 -0.01 0.00 0.70 0.00 0.00 55.95 55.97 2dnq s SER 77 Cb -0.19 -0.95 0.03 0.00 -1.71 0.00 0.00 66.02 63.20 2dnq s SER 77 CO 0.28 -0.36 0.00 -0.94 1.20 0.00 0.00 173.24 173.42 2dnq s SER 78 N 1.55 1.58 0.26 5.45 1.04 -1.26 -5.10 113.70 117.23 2dnq s SER 78 Ca 0.05 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2dnq s SER 78 Cb -0.18 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.51 2dnq s SER 78 CO -0.17 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2dnq n GLY 79 N 5.15 -1.81 3.36 7.32 0.00 -1.26 -4.89 105.19 113.06 2dnq n GLY 79 Ca -0.07 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.69 0.25 -4.24 1.61 -0.02 -1.26 -4.97 135.00 125.69 2dnq n PRO 80 Ca 0.00 0.10 -0.34 0.00 -2.02 0.00 0.00 63.50 61.24 2dnq n PRO 80 Cb 0.02 -1.43 -0.11 0.00 -0.02 0.00 0.00 33.50 31.96 2dnq n PRO 80 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2dnq s SER 81 N -1.16 5.09 0.52 2.55 0.15 -1.26 -5.11 113.70 114.47 2dnq s SER 81 Ca 0.62 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 57.28 2dnq s SER 81 Cb -0.43 -1.85 0.04 0.00 -1.71 0.00 0.00 66.02 62.08 2dnq s SER 81 CO 0.61 0.16 0.56 -0.94 1.20 0.00 0.00 173.24 174.84 2dnq s SER 82 N 0.42 5.01 0.00 5.45 1.04 -1.26 -5.25 113.70 119.12 2dnq s SER 82 Ca -0.01 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2dnq s SER 82 Cb -0.14 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2dnq s SER 82 CO 0.02 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.79