#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 1.23 -3.74 1.61 2.88 -1.26 -5.03 113.62 109.30 2dnq n SER -5 Ca 0.00 0.20 -0.24 0.00 -1.33 0.00 0.00 58.87 57.50 2dnq n SER -5 Cb 0.00 -0.47 0.04 0.00 -0.75 0.00 0.00 64.21 63.03 2dnq n SER -5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dnq n SER -4 N -3.78 -2.52 -4.53 -3.46 2.88 -1.26 -4.92 113.62 96.03 2dnq n SER -4 Ca -0.18 -0.78 -0.43 0.00 -1.33 0.00 0.00 58.87 56.14 2dnq n SER -4 Cb 0.50 -4.11 -0.06 0.00 -0.75 0.00 0.00 64.21 59.79 2dnq n SER -4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dnq s GLY -3 N -4.01 1.61 0.36 0.46 0.00 -1.26 -5.04 107.32 99.44 2dnq s GLY -3 Ca 0.22 -1.13 -0.08 0.00 0.00 0.00 0.00 44.72 43.73 2dnq s GLY -3 CO 0.81 1.74 0.68 -0.56 0.00 0.00 0.00 173.10 175.77 2dnq s SER -2 N 2.24 6.48 -1.34 1.64 0.01 -1.26 -4.24 113.70 117.23 2dnq s SER -2 Ca 0.27 0.95 -0.04 0.00 1.31 0.00 0.00 55.95 58.45 2dnq s SER -2 Cb -0.13 -2.25 0.02 0.00 0.21 0.00 0.00 66.02 63.87 2dnq s SER -2 CO 0.21 -0.32 0.87 -1.54 0.41 0.00 0.00 173.24 172.86 2dnq n SER -1 N -1.17 -2.65 -2.77 2.44 3.41 -1.26 -4.57 113.62 107.05 2dnq n SER -1 Ca 0.01 -0.75 -0.36 0.00 -0.26 0.00 0.00 58.87 57.51 2dnq n SER -1 Cb 0.54 -4.32 0.03 0.00 -0.26 0.00 0.00 64.21 60.21 2dnq n SER -1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnq n GLY 0 N -1.57 5.67 2.62 5.00 0.00 -1.26 -4.62 105.19 111.04 2dnq n GLY 0 Ca -0.19 -2.54 -0.05 0.00 0.00 0.00 0.00 46.02 43.23 2dnq n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dnq n MET 1 N -0.55 0.68 -3.70 1.61 -0.00 -1.26 -4.69 117.12 109.22 2dnq n MET 1 Ca 0.51 -1.38 -0.11 0.00 -0.00 0.00 0.00 57.70 56.72 2dnq n MET 1 Cb 0.37 1.76 -0.12 0.00 -0.00 0.00 0.00 33.22 35.23 2dnq n MET 1 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2dnq s VAL 2 N -2.33 -0.15 0.43 3.17 1.01 -1.09 -4.83 120.40 116.61 2dnq s VAL 2 Ca 0.12 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 2dnq s VAL 2 Cb -0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 36.38 35.76 2dnq s VAL 2 CO 0.07 0.06 0.89 -0.75 0.00 0.00 0.00 175.10 175.37 2dnq s LYS 3 N 1.63 4.01 -0.01 2.72 2.20 -1.26 -1.31 119.74 127.71 2dnq s LYS 3 Ca -0.07 0.86 0.01 0.00 -0.36 0.00 0.00 55.97 56.41 2dnq s LYS 3 Cb -0.10 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 2dnq s LYS 3 CO -0.11 -0.08 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.27 2dnq s LEU 4 N -3.57 1.82 -0.14 5.43 1.43 0.20 -3.51 118.68 120.34 2dnq s LEU 4 Ca 0.57 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.55 2dnq s LEU 4 Cb -0.10 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 2dnq s LEU 4 CO 0.23 0.01 0.08 0.12 0.23 0.00 0.00 176.35 177.02 2dnq s PHE 5 N 0.17 3.35 -0.19 0.29 5.36 -0.02 -1.62 117.98 125.31 2dnq s PHE 5 Ca -0.01 0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 56.19 2dnq s PHE 5 Cb -0.04 -1.98 0.05 0.00 -0.34 0.00 0.00 43.02 40.71 2dnq s PHE 5 CO -0.00 0.40 -0.00 0.42 -1.46 0.00 0.00 175.22 174.58 2dnq s ILE 6 N -0.31 0.84 0.41 3.12 1.01 -0.12 -1.67 121.20 124.48 2dnq s ILE 6 Ca 0.09 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.15 2dnq s ILE 6 Cb -0.12 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2dnq s ILE 6 CO 0.01 -0.09 0.31 -0.83 0.00 0.00 0.00 174.94 174.34 2dnq s GLY 7 N 1.73 2.18 -0.85 6.18 0.00 -0.52 -0.12 107.32 115.93 2dnq s GLY 7 Ca -0.01 -1.95 -0.00 0.00 0.00 0.00 0.00 44.72 42.76 2dnq s GLY 7 CO -0.07 -1.76 0.71 -2.01 0.00 0.00 0.00 173.10 169.96 2dnq n ASN 8 N -1.44 -2.32 -4.83 1.64 5.15 -1.19 -2.06 115.26 110.22 2dnq n ASN 8 Ca 0.02 -0.45 -0.37 0.00 -0.60 0.00 0.00 54.58 53.18 2dnq n ASN 8 Cb 0.62 -3.80 -0.06 0.00 -0.53 0.00 0.00 39.78 36.01 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 -5.07 4.44 0.00 1.20 1.43 -1.17 -4.38 118.68 115.14 2dnq s LEU 9 Ca 0.03 1.13 -0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2dnq s LEU 9 Cb -0.00 -2.98 0.10 0.00 0.03 0.00 0.00 46.19 43.34 2dnq s LEU 9 CO 0.52 0.22 0.58 -0.81 0.23 0.00 0.00 176.35 177.09 2dnq n PRO 10 N 1.37 -0.65 0.03 1.29 -0.04 -1.26 -4.92 135.00 130.82 2dnq n PRO 10 Ca -0.09 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 2dnq n PRO 10 Cb 0.51 -0.61 -0.08 0.00 -0.04 0.00 0.00 33.50 33.28 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 -2.29 0.62 0.08 0.54 0.63 -1.26 -4.04 116.66 110.95 2dnq n ARG 11 Ca 0.07 0.21 -0.08 0.00 -0.92 0.00 0.00 57.85 57.14 2dnq n ARG 11 Cb 0.26 -1.80 -0.05 0.00 0.45 0.00 0.00 32.46 31.32 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 0.08 -6.20 -0.14 4.39 -1.97 -3.46 114.58 107.28 2dnq h GLU 12 Ca -0.16 -0.11 -0.67 0.00 0.34 0.00 0.00 59.36 58.76 2dnq h GLU 12 Cb 1.57 0.04 0.09 0.00 -0.10 0.00 0.00 28.75 30.35 2dnq h GLU 12 CO 0.04 0.96 -0.07 0.00 -1.16 0.00 0.00 179.01 178.78 2dnq n ALA 13 N -2.41 -1.78 -2.67 3.43 0.00 -1.26 -4.98 120.51 110.84 2dnq n ALA 13 Ca -0.02 0.46 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 2dnq n ALA 13 Cb 0.87 -1.84 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.64 0.97 0.30 0.00 -4.23 -1.26 -4.99 115.64 105.79 2dnq s THR 14 Ca 0.69 -0.51 0.19 0.00 -1.18 0.00 0.00 61.69 60.87 2dnq s THR 14 Cb -0.90 -0.82 0.30 0.00 1.34 0.00 0.00 72.50 72.42 2dnq s THR 14 CO 0.56 0.28 1.19 1.21 -0.54 0.00 0.00 174.62 177.32 2dnq n GLU 15 N 2.86 -0.04 0.13 3.99 0.00 -1.26 -0.37 120.64 125.95 2dnq n GLU 15 Ca -0.15 1.02 -0.05 0.00 0.00 0.00 0.00 57.16 57.98 2dnq n GLU 15 Cb 0.55 -1.88 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 2dnq n GLU 15 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2dnq h GLN 16 N 0.00 -0.33 -0.95 5.31 7.50 -1.95 -1.34 115.11 123.35 2dnq h GLN 16 Ca 0.65 0.02 0.19 0.00 0.50 0.00 0.00 58.65 60.01 2dnq h GLN 16 Cb 1.84 0.08 -0.18 0.00 0.05 0.00 0.00 27.48 29.27 2dnq h GLN 16 CO -0.51 -0.22 -0.24 0.39 -1.50 0.00 0.00 178.83 176.75 2dnq n GLU 17 N -3.30 -0.09 0.34 1.46 1.02 0.50 -0.32 120.64 120.26 2dnq n GLU 17 Ca -0.04 1.49 -0.17 0.00 -0.02 0.00 0.00 57.16 58.41 2dnq n GLU 17 Cb 0.14 -2.22 -0.09 0.00 -0.02 0.00 0.00 31.44 29.25 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 0.36 -0.55 -3.67 1.08 -1.39 -2.33 117.51 111.01 2dnq h ILE 18 Ca 0.46 -0.09 0.11 0.00 -0.39 0.00 0.00 64.86 64.95 2dnq h ILE 18 Cb 0.69 0.39 -0.10 0.00 -3.07 0.00 0.00 36.82 34.73 2dnq h ILE 18 CO -0.98 0.01 -0.12 -0.09 -0.69 0.00 0.00 178.15 176.29 2dnq h ARG 19 N -0.91 0.01 -0.24 2.37 2.43 0.40 -1.51 114.38 116.94 2dnq h ARG 19 Ca -0.09 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2dnq h ARG 19 Cb 0.67 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.15 2dnq h ARG 19 CO 0.14 0.01 -0.19 1.03 -1.51 0.00 0.00 179.97 179.45 2dnq h SER 20 N 0.01 -0.61 -0.99 -3.80 0.87 -0.58 0.15 113.55 108.61 2dnq h SER 20 Ca 0.27 0.12 0.34 0.00 -1.23 0.00 0.00 61.79 61.29 2dnq h SER 20 Cb 0.41 0.30 -0.16 0.00 -0.44 0.00 0.00 62.40 62.50 2dnq h SER 20 CO -0.55 -0.23 0.47 -0.07 -0.53 0.00 0.00 176.83 175.92 2dnq h LEU 21 N -0.19 0.29 0.07 2.23 3.38 -0.70 0.73 115.31 121.12 2dnq h LEU 21 Ca 0.14 0.23 -0.26 0.00 0.09 0.00 0.00 57.88 58.07 2dnq h LEU 21 Cb 0.39 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2dnq h LEU 21 CO -0.35 -0.27 -1.31 -0.26 0.09 0.00 0.00 178.44 176.34 2dnq h PHE 22 N 0.16 0.26 -0.01 1.13 0.04 -1.07 -3.26 116.94 114.18 2dnq h PHE 22 Ca 0.75 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 61.33 2dnq h PHE 22 Cb 1.79 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.93 2dnq h PHE 22 CO -0.08 1.18 0.12 0.93 -0.60 0.00 0.00 178.31 179.86 2dnq h GLU 23 N 0.04 0.00 0.00 1.51 4.39 0.32 0.31 114.58 121.15 2dnq h GLU 23 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2dnq h GLU 23 Cb 1.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 2dnq h GLU 23 CO 0.15 0.00 0.00 1.96 -1.16 0.00 0.00 179.01 179.96 2dnq h GLN 24 N 0.00 0.00 0.00 2.33 4.20 -1.38 -3.20 115.11 117.07 2dnq h GLN 24 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2dnq h GLN 24 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2dnq h GLN 24 CO -0.00 0.00 -0.01 0.66 -0.67 0.00 0.00 178.83 178.81 2dnq n TYR 25 N -3.07 0.00 0.00 2.96 4.02 0.90 -5.06 117.16 116.91 2dnq n TYR 25 Ca 0.03 -0.58 0.00 0.00 -0.01 0.00 0.00 57.90 57.34 2dnq n TYR 25 Cb 0.46 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 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 -0.68 4.56 3.70 2.72 0.00 -0.08 -4.58 105.19 110.83 2dnq n GLY 26 Ca 0.04 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.50 2.26 -3.55 1.61 4.81 -1.26 -3.12 118.16 117.41 2dnq n LYS 27 Ca 0.00 0.80 -0.36 0.00 -0.87 0.00 0.00 58.31 57.88 2dnq n LYS 27 Cb 0.00 -2.48 -0.06 0.00 0.02 0.00 0.00 35.03 32.51 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 -0.30 5.08 -0.22 3.15 1.01 -1.26 -1.96 120.40 125.89 2dnq s VAL 28 Ca 0.64 0.63 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 2dnq s VAL 28 Cb -0.58 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 2dnq s VAL 28 CO 0.53 0.44 -0.33 0.18 0.00 0.00 0.00 175.10 175.91 2dnq n LEU 29 N 1.38 1.86 -4.23 3.92 4.77 0.62 -4.96 117.00 120.37 2dnq n LEU 29 Ca -0.11 0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 2dnq n LEU 29 Cb 0.52 -0.75 -0.16 0.00 -2.33 0.00 0.00 43.42 40.70 2dnq n LEU 29 CO 0.39 0.18 -0.54 -1.61 -1.33 0.00 0.00 177.39 174.48 2dnq s GLU 30 N -2.64 2.22 -0.24 3.23 8.01 -1.24 -4.97 118.70 123.07 2dnq s GLU 30 Ca -0.33 -0.81 -0.04 0.00 0.01 0.00 0.00 54.97 53.81 2dnq s GLU 30 Cb 0.10 -1.93 0.09 0.00 -4.31 0.00 0.00 34.13 28.08 2dnq s GLU 30 CO 0.44 0.37 0.17 0.00 0.01 0.00 0.00 175.26 176.24 2dnq s ASP 32 N 2.21 3.39 -0.27 0.00 1.01 -0.87 -4.95 116.67 117.20 2dnq s ASP 32 Ca 0.07 -1.22 -0.01 0.00 0.71 0.00 0.00 52.55 52.10 2dnq s ASP 32 Cb -0.16 -0.29 0.15 0.00 1.01 0.00 0.00 42.92 43.63 2dnq s ASP 32 CO -0.22 -0.28 0.38 -0.63 0.21 0.00 0.00 175.17 174.63 2dnq s ILE 33 N -2.77 -0.60 0.06 0.77 1.01 -1.26 -1.69 121.20 116.73 2dnq s ILE 33 Ca 0.32 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.67 2dnq s ILE 33 Cb 0.04 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.61 2dnq s ILE 33 CO 0.15 -0.22 0.23 -0.63 0.00 0.00 0.00 174.94 174.47 2dnq s ILE 34 N 2.53 0.11 -1.18 2.92 1.01 0.18 -4.88 121.20 121.90 2dnq s ILE 34 Ca 0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 2dnq s ILE 34 Cb -0.14 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.27 2dnq s ILE 34 CO -0.23 -0.52 0.27 0.29 0.00 0.00 0.00 174.94 174.75 2dnq n LYS 35 N 0.34 -2.99 -1.83 2.79 5.02 -1.26 0.74 118.16 120.97 2dnq n LYS 35 Ca -0.17 0.56 -0.13 0.00 -2.02 0.00 0.00 58.31 56.54 2dnq n LYS 35 Cb 0.61 -5.23 -0.03 0.00 -0.02 0.00 0.00 35.03 30.36 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 -2.07 -4.34 -4.06 4.39 3.02 -1.26 -4.99 115.26 105.94 2dnq n ASN 36 Ca -0.08 0.15 -0.14 0.00 -0.03 0.00 0.00 54.58 54.48 2dnq n ASN 36 Cb 0.58 -3.27 -0.12 0.00 -0.61 0.00 0.00 39.78 36.36 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 -2.58 0.73 0.00 3.10 -0.85 0.23 -3.03 117.35 114.95 2dnq s TYR 37 Ca 0.00 -0.42 0.06 0.00 -0.52 0.00 0.00 57.07 56.18 2dnq s TYR 37 Cb 0.00 -0.43 -0.02 0.00 0.38 0.00 0.00 41.96 41.89 2dnq s TYR 37 CO 0.00 -0.05 -0.18 0.20 -1.52 0.00 0.00 175.55 174.00 2dnq s GLY 38 N -1.35 0.88 -0.22 5.49 0.00 0.83 0.50 107.32 113.46 2dnq s GLY 38 Ca -0.07 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 2dnq s GLY 38 CO 0.01 -0.69 -0.06 -1.36 0.00 0.00 0.00 173.10 170.99 2dnq s PHE 39 N -0.51 2.95 -0.13 1.90 0.08 -0.68 -0.94 117.98 120.65 2dnq s PHE 39 Ca 0.06 -1.06 0.02 0.00 0.12 0.00 0.00 56.93 56.08 2dnq s PHE 39 Cb -0.07 -2.08 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 2dnq s PHE 39 CO -0.00 -0.59 -0.20 0.08 -0.10 0.00 0.00 175.22 174.40 2dnq s VAL 40 N 1.45 1.91 -0.34 -0.44 1.01 -0.64 -2.05 120.40 121.29 2dnq s VAL 40 Ca 0.05 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 2dnq s VAL 40 Cb -0.14 -1.69 0.07 0.00 0.00 0.00 0.00 36.38 34.61 2dnq s VAL 40 CO -0.04 0.52 0.09 -1.00 0.00 0.00 0.00 175.10 174.67 2dnq s HIS 41 N 0.80 3.36 0.79 5.22 3.76 -0.77 0.61 115.29 129.06 2dnq s HIS 41 Ca -0.08 -1.93 -0.11 0.00 -0.15 0.00 0.00 55.06 52.79 2dnq s HIS 41 Cb -0.16 -2.50 0.06 0.00 1.11 0.00 0.00 32.58 31.09 2dnq s HIS 41 CO -0.01 -0.84 1.09 -1.50 -0.85 0.00 0.00 174.74 172.64 2dnq s ILE 42 N 1.26 3.16 -0.08 0.60 2.07 -0.43 -0.28 121.20 127.50 2dnq s ILE 42 Ca -0.00 0.38 -0.23 0.00 -1.41 0.00 0.00 60.65 59.38 2dnq s ILE 42 Cb -0.21 -3.12 -0.29 0.00 0.13 0.00 0.00 42.46 38.96 2dnq s ILE 42 CO -0.01 -0.49 0.82 1.05 -1.91 0.00 0.00 174.94 174.40 2dnq h GLU 43 N -1.05 0.21 -5.94 3.50 4.11 -1.70 -2.88 114.58 110.83 2dnq h GLU 43 Ca -0.47 -0.35 -0.68 0.00 0.07 0.00 0.00 59.36 57.93 2dnq h GLU 43 Cb 1.26 0.13 -0.17 0.00 0.50 0.00 0.00 28.75 30.47 2dnq h GLU 43 CO 0.59 1.17 -0.65 -0.51 0.07 0.00 0.00 179.01 179.68 2dnq s ASP 44 N -6.77 4.98 0.00 3.06 1.01 -1.26 -4.05 116.67 113.65 2dnq s ASP 44 Ca -0.16 0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.16 2dnq s ASP 44 Cb 0.00 -1.41 0.00 0.00 1.01 0.00 0.00 42.92 42.52 2dnq s ASP 44 CO 0.78 0.35 0.95 1.17 0.21 0.00 0.00 175.17 178.62 2dnq n LYS 45 N 2.35 0.00 0.05 8.23 4.81 -1.26 -2.33 118.16 130.02 2dnq n LYS 45 Ca -0.18 0.46 0.17 0.00 -0.87 0.00 0.00 58.31 57.89 2dnq n LYS 45 Cb 0.53 -1.45 0.39 0.00 0.02 0.00 0.00 35.03 34.52 2dnq n LYS 45 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2dnq h THR 46 N 0.00 0.05 -0.24 3.15 2.02 -2.00 0.97 112.91 116.86 2dnq h THR 46 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 2dnq h THR 46 Cb 0.00 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2dnq h THR 46 CO 0.00 0.00 -0.39 0.00 0.37 0.00 0.00 175.52 175.50 2dnq h ALA 47 N 0.60 0.37 -0.93 6.16 0.00 -1.75 -3.15 119.26 120.56 2dnq h ALA 47 Ca 0.25 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.81 2dnq h ALA 47 Cb 2.14 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 2dnq h ALA 47 CO -0.00 0.47 0.60 0.00 0.00 0.00 0.00 179.25 180.31 2dnq h ALA 48 N 0.64 1.59 0.24 0.00 0.00 0.13 -2.86 119.26 118.99 2dnq h ALA 48 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dnq h ALA 48 Cb 0.98 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2dnq h ALA 48 CO 0.09 0.22 -0.36 0.93 0.00 0.00 0.00 179.25 180.12 2dnq h GLU 49 N 0.94 -0.61 -0.97 0.00 5.08 -1.53 0.10 114.58 117.60 2dnq h GLU 49 Ca 0.44 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 59.03 2dnq h GLU 49 Cb 0.41 0.14 -0.18 0.00 0.50 0.00 0.00 28.75 29.62 2dnq h GLU 49 CO -0.20 -0.40 -0.25 -3.47 -1.00 0.00 0.00 179.01 173.69 2dnq n ASP 50 N -4.55 -0.36 0.32 1.42 -0.08 -1.09 -1.16 116.55 111.06 2dnq n ASP 50 Ca -0.07 1.67 -0.13 0.00 -1.51 0.00 0.00 54.79 54.75 2dnq n ASP 50 Cb 0.31 -0.50 -0.06 0.00 2.34 0.00 0.00 41.12 43.21 2dnq n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dnq h ALA 51 N 1.92 -1.04 -0.89 -1.67 0.00 -1.41 -2.92 119.26 113.24 2dnq h ALA 51 Ca 0.46 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.30 2dnq h ALA 51 Cb 0.70 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 2dnq h ALA 51 CO -1.00 -0.98 -0.43 -0.89 0.00 0.00 0.00 179.25 175.95 2dnq n ILE 52 N -4.62 -0.53 -0.20 0.00 5.41 0.32 0.16 119.36 119.89 2dnq n ILE 52 Ca -0.10 2.12 -0.01 0.00 1.00 0.00 0.00 62.75 65.76 2dnq n ILE 52 Cb 0.33 -2.71 0.06 0.00 -0.71 0.00 0.00 39.64 36.61 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 0.01 0.00 0.38 2.43 -1.17 0.14 114.38 116.17 2dnq h ARG 53 Ca 0.23 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2dnq h ARG 53 Cb 0.45 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2dnq h ARG 53 CO -0.86 0.01 0.00 0.09 -1.51 0.00 0.00 179.97 177.70 2dnq n ASN 54 N -5.39 0.00 -0.29 -3.80 3.02 0.18 -4.26 115.26 104.71 2dnq n ASN 54 Ca 0.07 0.47 -0.05 0.00 -0.03 0.00 0.00 54.58 55.04 2dnq n ASN 54 Cb 0.32 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.82 -0.64 -4.60 3.41 4.77 0.41 -4.27 117.00 114.27 2dnq n LEU 55 Ca 0.00 1.29 -0.63 0.00 -0.03 0.00 0.00 56.01 56.63 2dnq n LEU 55 Cb 0.00 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 2dnq n LEU 55 CO 0.00 -1.09 0.89 1.57 -1.33 0.00 0.00 177.39 177.42 2dnq n HIS 56 N -4.98 1.26 -3.05 -1.77 -0.00 0.48 0.99 115.22 108.14 2dnq n HIS 56 Ca 0.04 1.10 -0.20 0.00 0.46 0.00 0.00 57.72 59.12 2dnq n HIS 56 Cb 0.23 -2.15 0.04 0.00 -0.12 0.00 0.00 29.99 28.00 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 2.87 -1.92 -3.23 1.57 8.25 -1.01 -4.91 115.22 116.83 2dnq n HIS 57 Ca 0.26 0.56 -0.39 0.00 -0.26 0.00 0.00 57.72 57.90 2dnq n HIS 57 Cb 0.00 -4.19 -0.06 0.00 1.12 0.00 0.00 29.99 26.86 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 -3.15 3.78 -0.60 4.41 6.14 0.28 -4.81 117.35 123.40 2dnq s TYR 58 Ca 0.33 1.28 -0.27 0.00 0.64 0.00 0.00 57.07 59.04 2dnq s TYR 58 Cb -0.14 -2.55 -0.00 0.00 0.42 0.00 0.00 41.96 39.69 2dnq s TYR 58 CO 0.40 0.52 1.61 0.21 0.64 0.00 0.00 175.55 178.93 2dnq s LYS 59 N -0.85 2.99 -0.46 4.97 2.20 -1.25 -3.26 119.74 124.07 2dnq s LYS 59 Ca 0.30 0.46 0.04 0.00 -0.36 0.00 0.00 55.97 56.41 2dnq s LYS 59 Cb -0.19 -4.26 0.12 0.00 -1.51 0.00 0.00 37.83 31.99 2dnq s LYS 59 CO 0.19 -2.32 0.19 -1.17 -0.36 0.00 0.00 175.35 171.88 2dnq s LEU 60 N 7.38 4.48 -0.50 5.43 2.96 -0.16 -4.73 118.68 133.53 2dnq s LEU 60 Ca 0.57 -2.73 -0.02 0.00 -0.22 0.00 0.00 54.13 51.74 2dnq s LEU 60 Cb -0.12 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.93 2dnq s LEU 60 CO 0.22 -0.28 0.43 1.41 -1.32 0.00 0.00 176.35 176.81 2dnq n HIS 61 N 3.49 -1.01 -2.53 5.38 8.25 -1.26 -3.39 115.22 124.17 2dnq n HIS 61 Ca 0.05 0.39 -0.14 0.00 -0.26 0.00 0.00 57.72 57.75 2dnq n HIS 61 Cb 0.35 -2.89 0.01 0.00 1.12 0.00 0.00 29.99 28.58 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 -0.16 2.95 -1.41 0.00 -1.26 -5.02 105.19 99.22 2dnq n GLY 62 Ca -0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.83 0.10 -0.94 1.61 0.11 -1.22 -5.10 120.40 112.13 2dnq s VAL 63 Ca 0.11 -0.60 -0.07 0.00 -2.93 0.00 0.00 61.98 58.49 2dnq s VAL 63 Cb -0.05 -0.20 0.24 0.00 -1.53 0.00 0.00 36.38 34.84 2dnq s VAL 63 CO 0.13 -0.31 0.87 0.20 -3.33 0.00 0.00 175.10 172.66 2dnq s ASN 64 N -0.95 6.58 1.37 3.54 -0.87 -1.26 -0.99 114.94 122.37 2dnq s ASN 64 Ca -0.10 -3.39 -0.22 0.00 -1.57 0.00 0.00 52.86 47.59 2dnq s ASN 64 Cb -0.06 -2.08 0.34 0.00 -0.02 0.00 0.00 41.25 39.43 2dnq s ASN 64 CO -0.01 -0.32 0.79 2.30 -2.57 0.00 0.00 177.10 177.30 2dnq n ILE 65 N 2.91 0.00 -3.77 0.60 -5.35 -1.20 -4.79 119.36 107.76 2dnq n ILE 65 Ca 0.19 -0.06 -0.21 0.00 -0.27 0.00 0.00 62.75 62.41 2dnq n ILE 65 Cb 0.40 -0.90 -0.17 0.00 -1.74 0.00 0.00 39.64 37.22 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 -2.82 1.17 -0.02 7.28 0.01 -0.87 -2.41 114.94 117.28 2dnq s ASN 66 Ca 0.62 -0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.82 2dnq s ASN 66 Cb -0.12 -0.28 -0.03 0.00 0.41 0.00 0.00 41.25 41.23 2dnq s ASN 66 CO 0.53 -0.20 -0.19 -0.69 -1.51 0.00 0.00 177.10 175.05 2dnq s VAL 67 N 1.85 2.65 -0.12 1.60 1.01 -1.26 -1.43 120.40 124.70 2dnq s VAL 67 Ca 0.02 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 2dnq s VAL 67 Cb -0.12 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.32 2dnq s VAL 67 CO -0.04 0.54 0.73 -1.83 0.00 0.00 0.00 175.10 174.50 2dnq s GLU 68 N -0.82 0.95 -0.17 2.72 -1.05 -0.67 -4.74 118.70 114.92 2dnq s GLU 68 Ca 0.12 0.43 -0.29 0.00 -0.15 0.00 0.00 54.97 55.07 2dnq s GLU 68 Cb -0.10 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 2dnq s GLU 68 CO 0.01 -0.26 1.40 0.00 0.95 0.00 0.00 175.26 177.36 2dnq s ALA 69 N -0.78 3.56 -0.02 -0.84 0.00 -1.26 -0.84 121.76 121.57 2dnq s ALA 69 Ca -0.07 0.51 -0.26 0.00 0.00 0.00 0.00 51.96 52.14 2dnq s ALA 69 Cb -0.01 -3.70 -0.20 0.00 0.00 0.00 0.00 23.12 19.21 2dnq s ALA 69 CO 0.07 -1.41 1.28 0.77 0.00 0.00 0.00 175.76 176.47 2dnq h SER 70 N 8.98 -0.01 -2.02 0.00 0.02 -1.89 -3.46 113.55 115.17 2dnq h SER 70 Ca -0.30 -0.46 -0.55 0.00 -0.84 0.00 0.00 61.79 59.64 2dnq h SER 70 Cb 1.12 0.00 0.24 0.00 0.14 0.00 0.00 62.40 63.91 2dnq h SER 70 CO 0.98 0.46 -1.85 2.29 -1.14 0.00 0.00 176.83 177.57 2dnq n LYS 71 N -4.87 -0.02 -3.45 3.45 -0.00 -1.26 -4.89 118.16 107.13 2dnq n LYS 71 Ca -0.08 -0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.81 2dnq n LYS 71 Cb 0.24 -1.04 -0.10 0.00 -0.00 0.00 0.00 35.03 34.14 2dnq n LYS 71 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2dnq s ASN 72 N -1.05 6.13 0.34 -5.58 0.01 -1.26 -4.96 114.94 108.58 2dnq s ASN 72 Ca 0.41 -0.44 0.12 0.00 -0.71 0.00 0.00 52.86 52.24 2dnq s ASN 72 Cb -0.17 -2.17 1.08 0.00 0.41 0.00 0.00 41.25 40.39 2dnq s ASN 72 CO 0.82 -0.34 1.57 0.11 -1.51 0.00 0.00 177.10 177.75 2dnq h LYS 73 N 8.52 0.00 -0.91 -0.60 1.57 -1.94 0.57 116.57 123.78 2dnq h LYS 73 Ca -0.30 -0.00 0.26 0.00 -1.87 0.00 0.00 60.65 58.74 2dnq h LYS 73 Cb 1.14 -0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.30 2dnq h LYS 73 CO 0.69 0.00 0.19 0.77 -0.57 0.00 0.00 179.45 180.53 2dnq h SER 74 N 0.00 -0.13 -0.55 0.86 0.02 -2.02 -3.36 113.55 108.38 2dnq h SER 74 Ca 0.74 0.23 -0.26 0.00 -0.84 0.00 0.00 61.79 61.65 2dnq h SER 74 Cb 1.78 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 64.62 2dnq h SER 74 CO -0.85 -0.24 1.10 0.29 -1.14 0.00 0.00 176.83 175.99 2dnq n LYS 75 N -5.31 0.49 -2.91 3.45 5.02 0.20 -4.85 118.16 114.24 2dnq n LYS 75 Ca 0.23 -0.34 -0.44 0.00 -2.02 0.00 0.00 58.31 55.74 2dnq n LYS 75 Cb 0.75 -2.77 -0.03 0.00 -0.02 0.00 0.00 35.03 32.96 2dnq n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dnq s ALA 76 N 10.27 3.28 -0.22 7.82 0.00 -1.26 -4.95 121.76 136.70 2dnq s ALA 76 Ca 1.08 -2.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.57 2dnq s ALA 76 Cb -0.45 -3.96 0.10 0.00 0.00 0.00 0.00 23.12 18.82 2dnq s ALA 76 CO 0.29 -2.88 0.44 -1.12 0.00 0.00 0.00 175.76 172.49 2dnq s SER 77 N 3.67 -0.29 -0.32 0.00 0.01 -1.26 -5.13 113.70 110.38 2dnq s SER 77 Ca 0.28 0.92 -0.10 0.00 1.31 0.00 0.00 55.95 58.37 2dnq s SER 77 Cb -0.10 1.41 0.00 0.00 0.21 0.00 0.00 66.02 67.54 2dnq s SER 77 CO -0.02 -0.24 0.16 -0.55 0.41 0.00 0.00 173.24 173.00 2dnq s SER 78 N 2.63 5.55 0.19 2.44 0.15 -1.26 -5.02 113.70 118.38 2dnq s SER 78 Ca 0.01 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2dnq s SER 78 Cb -0.13 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2dnq s SER 78 CO -0.14 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2dnq n GLY 79 N 4.97 1.13 3.83 9.45 0.00 -1.26 -4.68 105.19 118.64 2dnq n GLY 79 Ca -0.14 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2dnq n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnq s PRO 80 N 0.00 0.74 0.43 1.61 0.04 -1.26 -4.91 135.00 131.65 2dnq s PRO 80 Ca 0.00 -0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.06 2dnq s PRO 80 Cb 0.00 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2dnq s PRO 80 CO 0.00 -2.40 0.13 -1.54 0.04 0.00 0.00 177.00 173.22 2dnq s SER 81 N -4.41 4.25 0.22 6.66 1.04 -1.26 -5.03 113.70 115.16 2dnq s SER 81 Ca 0.68 -1.23 -0.18 0.00 0.48 0.00 0.00 55.95 55.70 2dnq s SER 81 Cb -0.09 -0.31 0.22 0.00 0.10 0.00 0.00 66.02 65.93 2dnq s SER 81 CO 0.53 -0.58 1.56 -1.28 0.98 0.00 0.00 173.24 174.45 2dnq h SER 82 N 1.48 -1.38 0.00 7.02 0.87 -1.98 -3.53 113.55 116.03 2dnq h SER 82 Ca -0.43 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2dnq h SER 82 Cb 1.26 0.72 0.00 0.00 -0.44 0.00 0.00 62.40 63.94 2dnq h SER 82 CO 0.73 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.35