#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 4.66 -1.09 1.61 0.01 -1.26 -5.04 113.70 112.59 2dnq s SER -5 Ca 0.00 -0.81 -0.11 0.00 1.31 0.00 0.00 55.95 56.34 2dnq s SER -5 Cb 0.00 -1.75 0.25 0.00 0.21 0.00 0.00 66.02 64.73 2dnq s SER -5 CO 0.00 -0.16 1.12 -0.94 0.41 0.00 0.00 173.24 173.68 2dnq s SER -4 N 1.39 7.21 0.00 2.44 1.04 -1.26 -4.73 113.70 119.79 2dnq s SER -4 Ca 0.01 -3.38 0.00 0.00 0.48 0.00 0.00 55.95 53.06 2dnq s SER -4 Cb -0.17 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2dnq s SER -4 CO -0.02 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2dnq n GLY -3 N 3.11 -1.80 3.00 7.32 0.00 -1.26 -5.13 105.19 110.42 2dnq n GLY -3 Ca 0.25 0.80 -0.24 0.00 0.00 0.00 0.00 46.02 46.82 2dnq n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnq s SER -2 N -4.00 1.76 0.06 1.61 0.01 -1.26 -5.14 113.70 106.74 2dnq s SER -2 Ca 0.00 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.03 2dnq s SER -2 Cb 0.00 -0.80 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 2dnq s SER -2 CO 0.00 0.00 -0.14 -0.44 0.41 0.00 0.00 173.24 173.07 2dnq s SER -1 N 0.84 1.71 0.00 2.44 0.01 -1.26 -5.04 113.70 112.40 2dnq s SER -1 Ca -0.11 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2dnq s SER -1 Cb -0.15 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2dnq s SER -1 CO 0.02 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2dnq n GLY 0 N 1.44 0.40 3.86 3.44 0.00 -1.26 -5.06 105.19 108.01 2dnq n GLY 0 Ca -0.20 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2dnq n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dnq s MET 1 N 0.00 3.03 -0.10 1.61 1.00 -1.23 -3.83 119.30 119.79 2dnq s MET 1 Ca 0.00 0.64 -0.03 0.00 0.00 0.00 0.00 55.69 56.29 2dnq s MET 1 Cb 0.00 -2.03 0.04 0.00 0.00 0.00 0.00 34.83 32.85 2dnq s MET 1 CO 0.00 -0.95 0.07 0.08 0.00 0.00 0.00 175.02 174.22 2dnq s VAL 2 N -3.24 -0.10 0.29 -6.03 1.01 -1.05 -4.85 120.40 106.43 2dnq s VAL 2 Ca 0.57 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.43 2dnq s VAL 2 Cb -0.12 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 2dnq s VAL 2 CO 0.53 -0.03 1.01 -0.75 0.00 0.00 0.00 175.10 175.87 2dnq s LYS 3 N 2.16 4.65 -0.06 2.72 2.20 -1.26 -1.68 119.74 128.46 2dnq s LYS 3 Ca 0.04 1.58 0.05 0.00 -0.36 0.00 0.00 55.97 57.28 2dnq s LYS 3 Cb -0.14 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 2dnq s LYS 3 CO -0.06 0.29 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.49 2dnq s LEU 4 N -1.60 2.28 -0.23 5.43 1.43 0.95 -3.66 118.68 123.29 2dnq s LEU 4 Ca 0.46 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 2dnq s LEU 4 Cb -0.27 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 2dnq s LEU 4 CO 0.34 0.27 0.11 0.12 0.23 0.00 0.00 176.35 177.42 2dnq s PHE 5 N -0.33 3.23 -0.08 0.29 2.19 -0.71 -1.75 117.98 120.81 2dnq s PHE 5 Ca 0.02 0.01 0.04 0.00 0.33 0.00 0.00 56.93 57.33 2dnq s PHE 5 Cb -0.13 -2.21 -0.00 0.00 -1.31 0.00 0.00 43.02 39.37 2dnq s PHE 5 CO 0.02 -0.03 -0.23 0.42 1.83 0.00 0.00 175.22 177.24 2dnq s ILE 6 N 1.03 1.92 0.36 3.12 1.01 -0.10 -2.00 121.20 126.55 2dnq s ILE 6 Ca 0.06 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.80 2dnq s ILE 6 Cb -0.14 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 2dnq s ILE 6 CO 0.04 0.53 0.05 -0.83 0.00 0.00 0.00 174.94 174.73 2dnq s GLY 7 N 0.26 2.25 -1.16 6.18 0.00 -0.87 -0.86 107.32 113.12 2dnq s GLY 7 Ca -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 44.72 42.55 2dnq s GLY 7 CO 0.07 -1.89 0.89 -2.01 0.00 0.00 0.00 173.10 170.16 2dnq n ASN 8 N -0.82 -3.80 -4.85 1.64 5.15 -1.15 -2.35 115.26 109.09 2dnq n ASN 8 Ca -0.04 -0.73 -0.36 0.00 -0.60 0.00 0.00 54.58 52.86 2dnq n ASN 8 Cb 0.67 -4.79 -0.06 0.00 -0.53 0.00 0.00 39.78 35.07 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 -6.09 4.38 0.99 1.20 1.43 -1.22 -4.29 118.68 115.09 2dnq s LEU 9 Ca 0.21 0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 54.03 2dnq s LEU 9 Cb -0.04 -2.91 0.20 0.00 0.03 0.00 0.00 46.19 43.48 2dnq s LEU 9 CO 0.76 0.21 1.25 -2.16 0.23 0.00 0.00 176.35 176.64 2dnq s PRO 10 N -1.67 0.41 0.11 1.29 0.04 -1.26 -4.94 135.00 128.98 2dnq s PRO 10 Ca 0.31 -0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.10 2dnq s PRO 10 Cb -0.15 -1.80 -0.19 0.00 0.04 0.00 0.00 34.50 32.40 2dnq s PRO 10 CO 0.17 -2.59 1.24 0.00 0.04 0.00 0.00 177.00 175.85 2dnq h ARG 11 N -1.77 0.22 0.00 4.56 3.08 -1.98 -3.23 114.38 115.25 2dnq h ARG 11 Ca -0.45 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.17 2dnq h ARG 11 Cb 1.26 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 2dnq h ARG 11 CO 0.42 1.11 -0.48 0.93 -1.07 0.00 0.00 179.97 180.87 2dnq h GLU 12 N 0.08 0.00 -6.25 0.04 5.08 -1.97 -3.45 114.58 108.11 2dnq h GLU 12 Ca -0.09 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.59 2dnq h GLU 12 Cb 1.79 0.00 0.07 0.00 0.50 0.00 0.00 28.75 31.10 2dnq h GLU 12 CO 0.17 0.48 0.29 0.00 -1.00 0.00 0.00 179.01 178.95 2dnq n ALA 13 N -2.35 -1.30 -2.70 3.43 0.00 -1.22 -4.98 120.51 111.39 2dnq n ALA 13 Ca -0.01 0.50 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 2dnq n ALA 13 Cb 0.55 -2.00 -0.13 0.00 0.00 0.00 0.00 19.45 17.88 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 0.09 0.95 0.26 0.00 -4.23 -1.26 -4.97 115.64 106.48 2dnq s THR 14 Ca 0.80 -0.97 -0.09 0.00 -1.18 0.00 0.00 61.69 60.25 2dnq s THR 14 Cb -0.95 -0.89 0.40 0.00 1.34 0.00 0.00 72.50 72.40 2dnq s THR 14 CO 0.51 -0.07 1.48 -0.62 -0.54 0.00 0.00 174.62 175.37 2dnq n GLU 15 N 1.86 -0.11 0.13 3.99 1.02 -1.26 -1.20 120.64 125.08 2dnq n GLU 15 Ca -0.19 1.47 -0.08 0.00 -0.02 0.00 0.00 57.16 58.35 2dnq n GLU 15 Cb 0.55 -2.20 -0.04 0.00 -0.02 0.00 0.00 31.44 29.73 2dnq n GLU 15 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2dnq h GLN 16 N 0.00 -0.44 -0.81 3.49 4.15 -1.96 0.10 115.11 119.64 2dnq h GLN 16 Ca 0.43 0.03 0.12 0.00 0.77 0.00 0.00 58.65 60.01 2dnq h GLN 16 Cb 0.67 0.10 -0.13 0.00 0.21 0.00 0.00 27.48 28.33 2dnq h GLN 16 CO -0.97 -0.29 -0.32 0.39 -1.93 0.00 0.00 178.83 175.71 2dnq n GLU 17 N -3.74 -0.20 -0.17 1.69 -0.58 -0.34 0.12 120.64 117.42 2dnq n GLU 17 Ca -0.05 1.25 -0.07 0.00 -0.42 0.00 0.00 57.16 57.86 2dnq n GLU 17 Cb 0.21 -1.85 0.02 0.00 -0.57 0.00 0.00 31.44 29.25 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 1.14 0.60 -3.67 1.08 -1.18 -2.33 117.51 113.14 2dnq h ILE 18 Ca 0.28 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2dnq h ILE 18 Cb 0.48 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 2dnq h ILE 18 CO -0.80 0.13 -0.46 -0.09 -0.69 0.00 0.00 178.15 176.24 2dnq h ARG 19 N 0.67 -0.99 -0.92 2.37 2.43 0.29 -2.26 114.38 115.97 2dnq h ARG 19 Ca 0.18 0.07 0.22 0.00 -0.81 0.00 0.00 59.98 59.64 2dnq h ARG 19 Cb -0.05 0.23 -0.12 0.00 -0.42 0.00 0.00 29.97 29.60 2dnq h ARG 19 CO -0.04 -0.66 0.45 0.77 -1.51 0.00 0.00 179.97 178.98 2dnq h SER 20 N -1.03 0.44 0.04 -3.80 0.02 -0.72 0.47 113.55 108.97 2dnq h SER 20 Ca -0.07 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2dnq h SER 20 Cb 0.87 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 2dnq h SER 20 CO 0.01 0.05 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.50 2dnq h LEU 21 N 0.47 -0.50 -1.05 5.07 3.38 -0.96 -1.94 115.31 119.78 2dnq h LEU 21 Ca 0.57 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.54 2dnq h LEU 21 Cb 1.06 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2dnq h LEU 21 CO -0.50 -0.24 -0.34 -0.26 0.09 0.00 0.00 178.44 177.19 2dnq h PHE 22 N -0.31 0.00 0.00 1.13 0.04 -0.56 -2.71 116.94 114.54 2dnq h PHE 22 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2dnq h PHE 22 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 2dnq h PHE 22 CO -0.21 0.34 0.00 0.39 -0.60 0.00 0.00 178.31 178.23 2dnq n GLU 23 N -3.56 0.01 0.05 1.51 -0.58 0.15 -0.81 120.64 117.41 2dnq n GLU 23 Ca -0.00 0.42 -0.11 0.00 -0.42 0.00 0.00 57.16 57.04 2dnq n GLU 23 Cb 0.47 -1.54 -0.13 0.00 -0.57 0.00 0.00 31.44 29.68 2dnq n GLU 23 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2dnq h GLN 24 N 0.00 0.10 -0.26 3.49 4.20 -1.30 -3.33 115.11 118.00 2dnq h GLN 24 Ca 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2dnq h GLN 24 Cb 0.10 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2dnq h GLN 24 CO 0.00 0.95 0.00 0.66 -0.67 0.00 0.00 178.83 179.77 2dnq n TYR 25 N -3.33 0.35 0.00 2.96 4.02 -0.57 -5.02 117.16 115.55 2dnq n TYR 25 Ca -0.09 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 2dnq n TYR 25 Cb 1.00 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.30 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 0.63 3.94 3.74 2.72 0.00 0.01 -4.56 105.19 111.67 2dnq n GLY 26 Ca 0.11 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.55 4.15 -0.13 1.61 2.20 -1.26 -2.93 119.74 121.83 2dnq s LYS 27 Ca 0.00 2.53 -0.12 0.00 -0.36 0.00 0.00 55.97 58.02 2dnq s LYS 27 Cb 0.00 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2dnq s LYS 27 CO 0.00 -0.62 0.24 0.08 -0.36 0.00 0.00 175.35 174.69 2dnq s VAL 28 N 0.28 5.33 -0.14 4.02 1.01 -1.26 -1.97 120.40 127.67 2dnq s VAL 28 Ca 0.65 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 2dnq s VAL 28 Cb -0.47 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2dnq s VAL 28 CO 0.43 0.48 -0.24 0.18 0.00 0.00 0.00 175.10 175.95 2dnq n LEU 29 N 2.91 1.59 -4.68 3.92 4.77 -0.22 -4.99 117.00 120.30 2dnq n LEU 29 Ca -0.15 0.38 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 2dnq n LEU 29 Cb 0.53 -0.74 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 2dnq n LEU 29 CO 0.37 -0.37 -0.32 -1.61 -1.33 0.00 0.00 177.39 174.12 2dnq s GLU 30 N -2.41 2.77 -0.25 3.23 2.02 -1.24 -4.96 118.70 117.87 2dnq s GLU 30 Ca -0.20 -0.62 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 2dnq s GLU 30 Cb 0.03 -2.66 0.14 0.00 0.10 0.00 0.00 34.13 31.73 2dnq s GLU 30 CO 0.30 0.62 0.37 0.00 0.02 0.00 0.00 175.26 176.57 2dnq s ASP 32 N 2.52 2.51 -0.24 0.00 1.47 -0.86 -4.92 116.67 117.15 2dnq s ASP 32 Ca 0.11 -1.02 -0.03 0.00 1.18 0.00 0.00 52.55 52.80 2dnq s ASP 32 Cb -0.15 -0.13 0.10 0.00 -0.34 0.00 0.00 42.92 42.41 2dnq s ASP 32 CO -0.20 -0.18 0.21 -0.63 0.68 0.00 0.00 175.17 175.06 2dnq s ILE 33 N -2.98 -0.28 0.08 2.11 1.01 -1.26 -1.35 121.20 118.53 2dnq s ILE 33 Ca 0.22 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2dnq s ILE 33 Cb -0.01 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 2dnq s ILE 33 CO 0.06 -0.40 0.17 -0.63 0.00 0.00 0.00 174.94 174.15 2dnq s ILE 34 N 2.27 0.14 -1.42 2.92 1.01 0.32 -4.90 121.20 121.55 2dnq s ILE 34 Ca 0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 2dnq s ILE 34 Cb -0.15 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.03 2dnq s ILE 34 CO -0.23 -0.65 0.36 0.29 0.00 0.00 0.00 174.94 174.70 2dnq n LYS 35 N 0.07 -2.77 -2.14 2.79 5.02 -1.26 0.80 118.16 120.67 2dnq n LYS 35 Ca -0.16 0.35 -0.12 0.00 -2.02 0.00 0.00 58.31 56.36 2dnq n LYS 35 Cb 0.62 -4.32 -0.02 0.00 -0.02 0.00 0.00 35.03 31.29 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 -2.95 -3.68 -4.08 4.39 3.02 -1.26 -4.92 115.26 105.79 2dnq n ASN 36 Ca -0.31 0.23 -0.08 0.00 -0.03 0.00 0.00 54.58 54.39 2dnq n ASN 36 Cb 0.68 -3.22 -0.10 0.00 -0.61 0.00 0.00 39.78 36.54 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 -2.45 0.52 -0.00 3.10 -0.85 0.24 -2.91 117.35 115.00 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 -0.37 -0.00 0.00 0.38 0.00 0.00 41.96 41.97 2dnq s TYR 37 CO 0.00 -0.31 0.01 0.20 -1.52 0.00 0.00 175.55 173.93 2dnq s GLY 38 N -2.63 0.01 -0.11 5.49 0.00 -0.04 0.12 107.32 110.16 2dnq s GLY 38 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.71 2dnq s GLY 38 CO -0.08 -0.03 -0.04 -1.36 0.00 0.00 0.00 173.10 171.59 2dnq s PHE 39 N -0.12 3.02 -0.18 1.90 0.08 -0.46 -0.92 117.98 121.30 2dnq s PHE 39 Ca -0.01 -0.08 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 2dnq s PHE 39 Cb -0.01 -1.83 0.05 0.00 -0.57 0.00 0.00 43.02 40.66 2dnq s PHE 39 CO -0.00 0.21 -0.01 0.08 -0.10 0.00 0.00 175.22 175.40 2dnq s VAL 40 N -0.33 0.83 -0.68 -0.44 1.01 -0.72 -2.03 120.40 118.03 2dnq s VAL 40 Ca 0.05 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2dnq s VAL 40 Cb -0.12 -1.17 0.12 0.00 0.00 0.00 0.00 36.38 35.20 2dnq s VAL 40 CO 0.02 -0.05 0.81 -1.00 0.00 0.00 0.00 175.10 174.88 2dnq s HIS 41 N 1.74 3.08 0.63 5.22 3.76 -0.83 -0.04 115.29 128.84 2dnq s HIS 41 Ca -0.01 -1.12 -0.14 0.00 -0.15 0.00 0.00 55.06 53.65 2dnq s HIS 41 Cb -0.16 -4.06 -0.02 0.00 1.11 0.00 0.00 32.58 29.44 2dnq s HIS 41 CO -0.07 -1.33 1.05 -1.50 -0.85 0.00 0.00 174.74 172.04 2dnq s ILE 42 N 2.52 4.03 0.00 0.60 2.07 -0.68 -1.06 121.20 128.68 2dnq s ILE 42 Ca 0.17 0.82 0.00 0.00 -1.41 0.00 0.00 60.65 60.23 2dnq s ILE 42 Cb -0.19 -3.45 0.00 0.00 0.13 0.00 0.00 42.46 38.95 2dnq s ILE 42 CO 0.02 -0.71 0.81 1.21 -1.91 0.00 0.00 174.94 174.37 2dnq n GLU 43 N -2.47 0.00 -3.94 3.50 2.13 -0.83 -2.52 120.64 116.51 2dnq n GLU 43 Ca 0.08 0.39 -0.31 0.00 0.66 0.00 0.00 57.16 57.98 2dnq n GLU 43 Cb 0.53 -1.35 -0.04 0.00 0.27 0.00 0.00 31.44 30.85 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 -2.05 6.25 0.06 4.31 1.01 -1.26 -3.57 116.67 121.42 2dnq s ASP 44 Ca 0.00 0.23 -0.37 0.00 0.71 0.00 0.00 52.55 53.12 2dnq s ASP 44 Cb 0.00 -1.89 -0.21 0.00 1.01 0.00 0.00 42.92 41.83 2dnq s ASP 44 CO 0.00 0.17 1.55 0.50 0.21 0.00 0.00 175.17 177.59 2dnq h LYS 45 N 3.07 -1.29 -1.23 8.23 3.64 -1.87 -2.70 116.57 124.42 2dnq h LYS 45 Ca -0.45 0.09 0.43 0.00 -1.27 0.00 0.00 60.65 59.44 2dnq h LYS 45 Cb 1.16 0.29 -0.14 0.00 -0.41 0.00 0.00 32.23 33.13 2dnq h LYS 45 CO 0.74 -0.86 0.76 1.15 -2.27 0.00 0.00 179.45 178.97 2dnq h THR 46 N -1.35 0.09 -0.90 1.00 2.02 -1.96 1.01 112.91 112.82 2dnq h THR 46 Ca -0.14 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.08 2dnq h THR 46 Cb 1.03 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 2dnq h THR 46 CO 0.23 0.01 0.56 0.00 0.37 0.00 0.00 175.52 176.69 2dnq h ALA 47 N 1.71 1.24 0.25 6.16 0.00 -1.72 -2.92 119.26 123.99 2dnq h ALA 47 Ca 0.83 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.72 2dnq h ALA 47 Cb 2.47 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2dnq h ALA 47 CO -0.53 0.30 -0.13 0.00 0.00 0.00 0.00 179.25 178.89 2dnq h ALA 48 N 1.42 -1.07 -0.79 0.00 0.00 0.11 -2.64 119.26 116.29 2dnq h ALA 48 Ca 0.39 -0.08 0.29 0.00 0.00 0.00 0.00 54.91 55.51 2dnq h ALA 48 Cb 0.20 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.01 2dnq h ALA 48 CO -0.18 -1.04 0.26 0.39 0.00 0.00 0.00 179.25 178.68 2dnq n GLU 49 N -2.99 -0.05 -0.05 0.00 1.02 -1.18 0.19 120.64 117.57 2dnq n GLU 49 Ca -0.04 1.13 -0.10 0.00 -0.02 0.00 0.00 57.16 58.12 2dnq n GLU 49 Cb 0.14 -1.92 -0.03 0.00 -0.02 0.00 0.00 31.44 29.60 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 0.24 0.13 1.62 3.32 -1.31 -2.46 116.42 117.95 2dnq h ASP 50 Ca 0.59 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.62 2dnq h ASP 50 Cb 1.46 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2dnq h ASP 50 CO -0.66 0.19 -0.06 0.00 -1.72 0.00 0.00 179.24 176.98 2dnq h ALA 51 N 1.06 -0.17 -0.63 3.45 0.00 0.24 -3.33 119.26 119.88 2dnq h ALA 51 Ca 0.07 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2dnq h ALA 51 Cb -0.02 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2dnq h ALA 51 CO -0.02 -0.19 -0.37 -0.89 0.00 0.00 0.00 179.25 177.78 2dnq n ILE 52 N -4.87 -0.43 -0.20 0.00 5.41 0.18 0.03 119.36 119.49 2dnq n ILE 52 Ca -0.05 1.89 -0.05 0.00 1.00 0.00 0.00 62.75 65.54 2dnq n ILE 52 Cb 0.19 -2.38 -0.05 0.00 -0.71 0.00 0.00 39.64 36.70 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 -4.47 -0.21 0.00 0.38 0.63 -0.93 0.44 116.66 112.50 2dnq n ARG 53 Ca 0.01 1.14 0.00 0.00 -0.92 0.00 0.00 57.85 58.09 2dnq n ARG 53 Cb 0.16 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.38 2dnq n ARG 53 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2dnq n ASN 54 N -4.06 0.00 -0.36 6.15 3.02 -0.35 -2.63 115.26 117.03 2dnq n ASN 54 Ca 0.01 0.97 0.30 0.00 -0.03 0.00 0.00 54.58 55.83 2dnq n ASN 54 Cb 0.12 -0.49 0.50 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.97 0.13 -4.66 3.41 4.77 0.10 -4.32 117.00 114.46 2dnq n LEU 55 Ca 0.00 0.95 -0.50 0.00 -0.03 0.00 0.00 56.01 56.43 2dnq n LEU 55 Cb 0.00 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 2dnq n LEU 55 CO 0.00 -1.02 1.23 1.57 -1.33 0.00 0.00 177.39 177.84 2dnq n HIS 56 N -4.00 2.08 -2.35 -1.77 -0.00 0.17 -0.21 115.22 109.14 2dnq n HIS 56 Ca 0.29 0.32 -0.19 0.00 0.46 0.00 0.00 57.72 58.60 2dnq n HIS 56 Cb 1.17 -2.51 -0.01 0.00 -0.12 0.00 0.00 29.99 28.52 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 4.39 -0.90 -2.40 1.57 8.25 -1.17 -4.96 115.22 119.99 2dnq n HIS 57 Ca 0.20 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.33 2dnq n HIS 57 Cb 0.24 -3.74 -0.02 0.00 1.12 0.00 0.00 29.99 27.58 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 -2.96 3.07 -0.54 4.41 6.14 0.71 -4.81 117.35 123.37 2dnq s TYR 58 Ca 0.00 1.55 -0.20 0.00 0.64 0.00 0.00 57.07 59.06 2dnq s TYR 58 Cb 0.00 -3.00 0.06 0.00 0.42 0.00 0.00 41.96 39.44 2dnq s TYR 58 CO 0.00 -0.80 0.72 0.21 0.64 0.00 0.00 175.55 176.32 2dnq s LYS 59 N -3.57 3.14 -0.52 4.97 2.20 -1.25 -3.09 119.74 121.62 2dnq s LYS 59 Ca 0.65 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 55.43 2dnq s LYS 59 Cb -0.15 -4.13 0.13 0.00 -1.51 0.00 0.00 37.83 32.17 2dnq s LYS 59 CO 0.26 -1.38 0.26 -1.17 -0.36 0.00 0.00 175.35 172.96 2dnq s LEU 60 N 2.98 4.35 -0.38 5.43 2.96 -0.81 -4.74 118.68 128.47 2dnq s LEU 60 Ca 0.17 -2.99 -0.01 0.00 -0.22 0.00 0.00 54.13 51.08 2dnq s LEU 60 Cb -0.19 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.86 2dnq s LEU 60 CO 0.12 -0.24 0.33 1.41 -1.32 0.00 0.00 176.35 176.65 2dnq n HIS 61 N 3.14 -0.75 -3.05 5.38 8.25 -1.26 -3.64 115.22 123.29 2dnq n HIS 61 Ca 0.05 0.29 -0.16 0.00 -0.26 0.00 0.00 57.72 57.64 2dnq n HIS 61 Cb 0.32 -2.62 0.04 0.00 1.12 0.00 0.00 29.99 28.86 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 -1.00 -0.12 2.99 -1.41 0.00 -1.26 -5.02 105.19 99.37 2dnq n GLY 62 Ca -0.05 -0.08 -0.09 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 -3.11 0.13 -0.91 1.61 0.11 -1.24 -5.09 120.40 111.90 2dnq s VAL 63 Ca 0.32 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.35 2dnq s VAL 63 Cb -0.14 -0.39 0.26 0.00 -1.53 0.00 0.00 36.38 34.58 2dnq s VAL 63 CO 0.39 -0.55 1.03 0.59 -3.33 0.00 0.00 175.10 173.23 2dnq n ASN 64 N 1.45 4.91 -3.91 3.54 4.13 -1.26 -1.92 115.26 122.21 2dnq n ASN 64 Ca -0.23 -3.29 -0.26 0.00 1.68 0.00 0.00 54.58 52.48 2dnq n ASN 64 Cb 0.56 -1.05 0.17 0.00 -1.54 0.00 0.00 39.78 37.91 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 1.66 0.00 -4.28 2.41 -5.35 -1.18 -4.78 119.36 107.84 2dnq n ILE 65 Ca 0.25 -0.16 -0.21 0.00 -0.27 0.00 0.00 62.75 62.36 2dnq n ILE 65 Cb 0.37 -0.58 -0.16 0.00 -1.74 0.00 0.00 39.64 37.53 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 -1.98 1.11 -0.10 7.28 0.01 -0.99 -3.06 114.94 117.20 2dnq s ASN 66 Ca 0.48 -0.17 0.03 0.00 -0.71 0.00 0.00 52.86 52.49 2dnq s ASN 66 Cb -0.09 -0.49 -0.01 0.00 0.41 0.00 0.00 41.25 41.08 2dnq s ASN 66 CO 0.52 -0.01 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.21 2dnq s VAL 67 N 0.71 2.47 -0.19 1.60 1.01 -1.26 -2.05 120.40 122.68 2dnq s VAL 67 Ca -0.11 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 2dnq s VAL 67 Cb -0.14 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.32 2dnq s VAL 67 CO 0.01 0.55 0.49 -1.83 0.00 0.00 0.00 175.10 174.32 2dnq s GLU 68 N 0.25 0.53 -0.29 2.72 -1.05 -0.85 -4.88 118.70 115.14 2dnq s GLU 68 Ca -0.13 0.80 -0.28 0.00 -0.15 0.00 0.00 54.97 55.21 2dnq s GLU 68 Cb -0.17 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.63 2dnq s GLU 68 CO 0.07 -0.11 2.14 0.00 0.95 0.00 0.00 175.26 178.31 2dnq s ALA 69 N 0.86 2.61 0.14 -0.84 0.00 -1.26 -1.74 121.76 121.52 2dnq s ALA 69 Ca -0.05 0.53 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 2dnq s ALA 69 Cb -0.05 -4.10 -0.08 0.00 0.00 0.00 0.00 23.12 18.89 2dnq s ALA 69 CO -0.07 -3.00 1.55 1.03 0.00 0.00 0.00 175.76 175.28 2dnq h SER 70 N 15.15 -1.79 -3.72 0.00 0.87 -1.88 -3.40 113.55 118.78 2dnq h SER 70 Ca -0.37 0.25 -0.55 0.00 -1.23 0.00 0.00 61.79 59.89 2dnq h SER 70 Cb 1.22 0.75 0.11 0.00 -0.44 0.00 0.00 62.40 64.04 2dnq h SER 70 CO 1.01 -0.38 0.71 0.29 -0.53 0.00 0.00 176.83 177.92 2dnq n LYS 71 N -5.38 2.53 -4.20 2.24 4.76 -1.26 -5.01 118.16 111.84 2dnq n LYS 71 Ca -0.02 0.89 -0.30 0.00 -2.87 0.00 0.00 58.31 56.00 2dnq n LYS 71 Cb 0.34 -2.58 -0.09 0.00 -1.84 0.00 0.00 35.03 30.86 2dnq n LYS 71 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2dnq s ASN 72 N -0.15 4.84 0.00 4.39 0.01 -1.26 -5.13 114.94 117.65 2dnq s ASN 72 Ca 0.54 -0.21 -0.20 0.00 -0.71 0.00 0.00 52.86 52.28 2dnq s ASN 72 Cb -0.50 -1.11 0.04 0.00 0.41 0.00 0.00 41.25 40.09 2dnq s ASN 72 CO 0.63 0.20 0.45 -1.59 -1.51 0.00 0.00 177.10 175.27 2dnq s LYS 73 N -2.13 0.87 -0.08 -0.60 -2.85 -1.26 -5.16 119.74 108.53 2dnq s LYS 73 Ca 0.23 -0.14 0.02 0.00 -1.00 0.00 0.00 55.97 55.08 2dnq s LYS 73 Cb -0.11 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 2dnq s LYS 73 CO 0.15 -0.28 -0.14 -1.54 0.10 0.00 0.00 175.35 173.65 2dnq s SER 74 N -1.57 2.09 0.29 0.03 1.04 -1.26 -5.03 113.70 109.31 2dnq s SER 74 Ca -0.10 -0.36 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 2dnq s SER 74 Cb -0.02 -0.95 0.60 0.00 0.10 0.00 0.00 66.02 65.75 2dnq s SER 74 CO 0.03 0.04 1.56 0.50 0.98 0.00 0.00 173.24 176.35 2dnq h LYS 75 N 7.07 0.00 -4.44 4.02 3.11 -2.08 -3.21 116.57 121.05 2dnq h LYS 75 Ca -0.29 -0.00 -0.71 0.00 -2.81 0.00 0.00 60.65 56.84 2dnq h LYS 75 Cb 1.19 -0.00 -0.32 0.00 -1.00 0.00 0.00 32.23 32.10 2dnq h LYS 75 CO 0.47 0.00 -0.50 0.00 -2.81 0.00 0.00 179.45 176.62 2dnq s ALA 76 N -6.14 3.23 0.52 5.00 0.00 -1.26 -5.09 121.76 118.02 2dnq s ALA 76 Ca -0.14 -2.44 -0.07 0.00 0.00 0.00 0.00 51.96 49.31 2dnq s ALA 76 Cb 0.28 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 2dnq s ALA 76 CO 0.78 -1.79 0.85 -1.54 0.00 0.00 0.00 175.76 174.07 2dnq s SER 77 N 2.10 6.26 0.64 0.00 1.04 -1.22 -5.04 113.70 117.48 2dnq s SER 77 Ca 0.06 1.07 -0.17 0.00 0.48 0.00 0.00 55.95 57.38 2dnq s SER 77 Cb -0.24 -2.31 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 2dnq s SER 77 CO -0.02 -0.66 1.20 -0.94 0.98 0.00 0.00 173.24 173.80 2dnq s SER 78 N -4.12 4.87 0.00 7.02 1.04 -1.26 -5.02 113.70 116.24 2dnq s SER 78 Ca 0.49 2.33 0.00 0.00 0.48 0.00 0.00 55.95 59.26 2dnq s SER 78 Cb -0.10 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2dnq s SER 78 CO 0.47 -1.81 0.00 0.61 0.98 0.00 0.00 173.24 173.50 2dnq n GLY 79 N 0.35 3.37 3.63 7.32 0.00 -1.26 -5.12 105.19 113.48 2dnq n GLY 79 Ca 0.13 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 1.32 3.91 0.38 1.61 0.04 -1.26 -5.01 135.00 135.99 2dnq s PRO 80 Ca 0.00 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.21 2dnq s PRO 80 Cb 0.00 -3.86 -0.06 0.00 0.04 0.00 0.00 34.50 30.63 2dnq s PRO 80 CO 0.00 -1.12 0.05 -1.54 0.04 0.00 0.00 177.00 174.43 2dnq s SER 81 N 2.57 3.03 -0.90 6.66 1.04 -1.26 -5.08 113.70 119.76 2dnq s SER 81 Ca 0.53 -1.45 -0.23 0.00 0.48 0.00 0.00 55.95 55.28 2dnq s SER 81 Cb -0.15 -0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.03 2dnq s SER 81 CO 0.23 -0.64 1.30 -0.44 0.98 0.00 0.00 173.24 174.66 2dnq s SER 82 N -3.61 6.41 0.00 7.02 0.01 -1.26 -5.34 113.70 116.93 2dnq s SER 82 Ca 0.31 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2dnq s SER 82 Cb 0.07 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2dnq s SER 82 CO 0.15 -1.49 0.00 0.61 0.41 0.00 0.00 173.24 172.92