#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 -0.17 -0.32 1.61 0.15 -1.26 -5.11 113.70 108.59 2dnq s SER -5 Ca 0.00 -0.65 -0.29 0.00 0.70 0.00 0.00 55.95 55.72 2dnq s SER -5 Cb 0.00 0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 64.96 2dnq s SER -5 CO 0.00 -1.26 1.72 -0.55 1.20 0.00 0.00 173.24 174.35 2dnq s SER -4 N -2.99 6.03 0.00 5.45 0.15 -1.26 -4.47 113.70 116.61 2dnq s SER -4 Ca 0.13 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2dnq s SER -4 Cb -0.04 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2dnq s SER -4 CO 0.06 -1.60 0.00 0.61 1.20 0.00 0.00 173.24 173.51 2dnq n GLY -3 N 5.28 0.00 2.90 9.45 0.00 -1.26 -5.15 105.19 116.40 2dnq n GLY -3 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 1.59 0.36 1.61 0.01 -1.26 -5.14 113.70 110.87 2dnq s SER -2 Ca 0.00 -0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.10 2dnq s SER -2 Cb 0.00 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 2dnq s SER -2 CO 0.00 -0.08 0.18 -0.94 0.41 0.00 0.00 173.24 172.81 2dnq s SER -1 N 1.30 2.13 0.00 2.44 1.04 -1.26 -4.94 113.70 114.40 2dnq s SER -1 Ca -0.04 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 54.72 2dnq s SER -1 Cb -0.14 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2dnq s SER -1 CO -0.03 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2dnq n GLY 0 N -0.74 1.98 3.79 7.32 0.00 -1.26 -4.98 105.19 111.30 2dnq n GLY 0 Ca -0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 2.75 -0.01 1.61 0.00 -1.24 -3.90 119.30 118.50 2dnq s MET 1 Ca 0.00 1.18 0.03 0.00 0.00 0.00 0.00 55.69 56.90 2dnq s MET 1 Cb 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 34.83 32.87 2dnq s MET 1 CO 0.00 -1.26 -0.11 0.08 0.00 0.00 0.00 175.02 173.73 2dnq s VAL 2 N -2.71 0.88 0.61 5.16 1.01 -0.92 -4.91 120.40 119.53 2dnq s VAL 2 Ca 0.62 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 2dnq s VAL 2 Cb -0.17 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2dnq s VAL 2 CO 0.48 0.25 0.92 -0.75 0.00 0.00 0.00 175.10 176.01 2dnq s LYS 3 N -0.16 2.76 -0.15 2.72 2.20 -1.26 -0.47 119.74 125.38 2dnq s LYS 3 Ca 0.02 -0.08 -0.07 0.00 -0.36 0.00 0.00 55.97 55.49 2dnq s LYS 3 Cb -0.05 -2.26 0.07 0.00 -1.51 0.00 0.00 37.83 34.08 2dnq s LYS 3 CO -0.00 -0.81 0.34 -0.51 -0.36 0.00 0.00 175.35 174.01 2dnq s LEU 4 N -5.04 -0.18 -0.13 5.43 1.43 0.27 -4.31 118.68 116.15 2dnq s LEU 4 Ca 0.55 0.77 -0.18 0.00 -1.03 0.00 0.00 54.13 54.24 2dnq s LEU 4 Cb -0.11 1.06 -0.04 0.00 0.03 0.00 0.00 46.19 47.14 2dnq s LEU 4 CO 0.45 -0.21 0.47 0.12 0.23 0.00 0.00 176.35 177.41 2dnq s PHE 5 N 1.93 3.49 -0.05 0.29 2.19 0.11 -1.57 117.98 124.38 2dnq s PHE 5 Ca -0.05 0.85 0.03 0.00 0.33 0.00 0.00 56.93 58.10 2dnq s PHE 5 Cb -0.11 -2.55 0.00 0.00 -1.31 0.00 0.00 43.02 39.06 2dnq s PHE 5 CO -0.11 0.14 -0.15 0.42 1.83 0.00 0.00 175.22 177.35 2dnq s ILE 6 N 0.74 1.25 0.42 3.12 1.01 -0.10 -0.83 121.20 126.81 2dnq s ILE 6 Ca 0.25 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2dnq s ILE 6 Cb -0.15 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 2dnq s ILE 6 CO 0.10 0.37 0.15 -0.83 0.00 0.00 0.00 174.94 174.73 2dnq s GLY 7 N 0.24 2.70 -1.24 6.18 0.00 0.45 -0.57 107.32 115.09 2dnq s GLY 7 Ca -0.07 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.42 2dnq s GLY 7 CO 0.02 -1.81 0.75 -2.01 0.00 0.00 0.00 173.10 170.05 2dnq n ASN 8 N -1.46 -2.59 -4.84 1.64 5.15 -1.20 -1.82 115.26 110.14 2dnq n ASN 8 Ca -0.05 -0.84 -0.37 0.00 -0.60 0.00 0.00 54.58 52.72 2dnq n ASN 8 Cb 0.64 -4.11 -0.06 0.00 -0.53 0.00 0.00 39.78 35.72 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 -6.47 4.42 1.01 1.20 1.43 -1.25 -4.12 118.68 114.90 2dnq s LEU 9 Ca 0.14 1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 54.11 2dnq s LEU 9 Cb -0.04 -2.95 0.21 0.00 0.03 0.00 0.00 46.19 43.44 2dnq s LEU 9 CO 0.81 0.21 1.26 -2.16 0.23 0.00 0.00 176.35 176.70 2dnq s PRO 10 N -1.54 0.30 0.19 1.29 0.04 -1.26 -4.94 135.00 129.09 2dnq s PRO 10 Ca 0.31 -0.28 0.16 0.00 0.04 0.00 0.00 61.00 61.23 2dnq s PRO 10 Cb -0.16 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 2dnq s PRO 10 CO 0.17 -2.66 1.20 0.00 0.04 0.00 0.00 177.00 175.75 2dnq h ARG 11 N -1.82 0.00 0.00 4.56 3.08 -1.98 -3.26 114.38 114.96 2dnq h ARG 11 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2dnq h ARG 11 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2dnq h ARG 11 CO 0.39 0.41 -0.27 0.93 -1.07 0.00 0.00 179.97 180.35 2dnq h GLU 12 N 0.00 0.00 -6.45 0.04 3.07 -1.96 -3.45 114.58 105.82 2dnq h GLU 12 Ca -0.06 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.27 2dnq h GLU 12 Cb 1.45 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 29.39 2dnq h GLU 12 CO 0.06 0.00 1.16 0.00 -1.40 0.00 0.00 179.01 178.83 2dnq s ALA 13 N -3.17 3.70 0.16 3.43 0.00 -1.23 -4.99 121.76 119.66 2dnq s ALA 13 Ca 0.07 1.41 0.08 0.00 0.00 0.00 0.00 51.96 53.53 2dnq s ALA 13 Cb 0.11 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2dnq s ALA 13 CO 0.67 -1.37 -0.09 0.95 0.00 0.00 0.00 175.76 175.92 2dnq s THR 14 N 3.42 3.27 0.30 0.00 -4.23 -1.26 -4.95 115.64 112.19 2dnq s THR 14 Ca 0.84 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.84 2dnq s THR 14 Cb -0.45 -2.60 0.33 0.00 1.34 0.00 0.00 72.50 71.12 2dnq s THR 14 CO 0.39 -0.06 1.63 -0.08 -0.54 0.00 0.00 174.62 175.95 2dnq h GLU 15 N 3.05 0.15 0.73 3.99 4.81 -1.94 -1.33 114.58 124.03 2dnq h GLU 15 Ca -0.47 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2dnq h GLU 15 Cb 1.20 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.55 2dnq h GLU 15 CO 0.54 0.10 -0.35 0.37 -0.73 0.00 0.00 179.01 178.94 2dnq h GLN 16 N 0.15 -0.94 -0.87 1.92 5.75 -1.96 -1.19 115.11 117.97 2dnq h GLN 16 Ca 0.59 0.06 0.21 0.00 -0.15 0.00 0.00 58.65 59.35 2dnq h GLN 16 Cb 1.23 0.21 -0.16 0.00 1.07 0.00 0.00 27.48 29.83 2dnq h GLN 16 CO -0.72 -0.63 -0.10 0.39 -2.65 0.00 0.00 178.83 175.12 2dnq n GLU 17 N -5.11 -0.07 -0.12 1.69 -0.58 -0.57 0.17 120.64 116.05 2dnq n GLU 17 Ca -0.12 1.33 -0.11 0.00 -0.42 0.00 0.00 57.16 57.83 2dnq n GLU 17 Cb 0.38 -2.04 0.01 0.00 -0.57 0.00 0.00 31.44 29.22 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 1.27 0.58 -3.67 1.08 -1.34 -3.13 117.51 112.30 2dnq h ILE 18 Ca 0.47 -1.48 -0.03 0.00 -0.39 0.00 0.00 64.86 63.44 2dnq h ILE 18 Cb 0.85 1.28 0.01 0.00 -3.07 0.00 0.00 36.82 35.89 2dnq h ILE 18 CO -0.86 0.50 -0.28 -0.09 -0.69 0.00 0.00 178.15 176.73 2dnq h ARG 19 N 0.76 -0.75 -0.94 2.37 2.43 0.30 -2.99 114.38 115.57 2dnq h ARG 19 Ca 0.08 0.05 0.30 0.00 -0.81 0.00 0.00 59.98 59.60 2dnq h ARG 19 Cb 0.88 0.17 -0.17 0.00 -0.42 0.00 0.00 29.97 30.43 2dnq h ARG 19 CO 0.08 -0.50 0.17 0.43 -1.51 0.00 0.00 179.97 178.64 2dnq n SER 20 N -4.34 0.03 0.22 -3.80 7.64 0.65 -0.11 113.62 113.90 2dnq n SER 20 Ca -0.10 1.59 -0.17 0.00 1.01 0.00 0.00 58.87 61.21 2dnq n SER 20 Cb 0.31 -0.64 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 2dnq n SER 20 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dnq h LEU 21 N 0.00 -1.29 -1.56 -3.43 3.38 -1.48 -0.96 115.31 109.97 2dnq h LEU 21 Ca 0.64 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.73 2dnq h LEU 21 Cb 1.48 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2dnq h LEU 21 CO -0.84 -0.58 0.00 -0.26 0.09 0.00 0.00 178.44 176.85 2dnq h PHE 22 N -0.84 0.00 0.00 1.13 0.04 -0.37 -1.79 116.94 115.11 2dnq h PHE 22 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2dnq h PHE 22 Cb 0.78 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.93 2dnq h PHE 22 CO -0.30 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 177.80 2dnq n GLU 23 N -2.76 0.85 -0.06 1.51 -0.58 0.82 -2.18 120.64 118.25 2dnq n GLU 23 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 2dnq n GLU 23 Cb 0.21 -1.45 -0.15 0.00 -0.57 0.00 0.00 31.44 29.48 2dnq n GLU 23 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2dnq n GLN 24 N -0.95 0.66 0.00 3.49 6.02 -0.67 -4.24 117.38 121.69 2dnq n GLN 24 Ca 0.18 0.13 0.09 0.00 -0.01 0.00 0.00 57.00 57.39 2dnq n GLN 24 Cb 0.08 -1.65 0.04 0.00 1.02 0.00 0.00 30.24 29.73 2dnq n GLN 24 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2dnq n TYR 25 N -2.86 0.00 0.00 1.08 4.01 -1.14 -5.04 117.16 113.21 2dnq n TYR 25 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2dnq n TYR 25 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 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 1.12 2.56 3.77 2.72 0.00 -0.93 -4.65 105.19 109.79 2dnq n GLY 26 Ca 0.09 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 4.26 -0.08 1.61 2.20 -1.26 -3.45 119.74 121.02 2dnq s LYS 27 Ca 0.00 2.11 -0.06 0.00 -0.36 0.00 0.00 55.97 57.66 2dnq s LYS 27 Cb 0.00 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 2dnq s LYS 27 CO 0.00 -0.23 0.17 0.08 -0.36 0.00 0.00 175.35 175.01 2dnq s VAL 28 N -1.20 5.47 -0.10 4.02 1.01 -1.26 -1.44 120.40 126.89 2dnq s VAL 28 Ca 0.51 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 2dnq s VAL 28 Cb -0.37 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2dnq s VAL 28 CO 0.49 0.53 -0.24 0.18 0.00 0.00 0.00 175.10 176.06 2dnq n LEU 29 N 1.66 1.63 -4.17 3.92 4.77 -0.59 -4.93 117.00 119.29 2dnq n LEU 29 Ca -0.17 0.26 -0.26 0.00 -0.03 0.00 0.00 56.01 55.81 2dnq n LEU 29 Cb 0.54 -0.60 -0.16 0.00 -2.33 0.00 0.00 43.42 40.87 2dnq n LEU 29 CO 0.35 -0.33 -0.51 -1.61 -1.33 0.00 0.00 177.39 173.96 2dnq s GLU 30 N -2.58 1.75 -0.19 3.23 2.02 -1.23 -4.98 118.70 116.72 2dnq s GLU 30 Ca -0.20 -0.66 -0.04 0.00 0.02 0.00 0.00 54.97 54.08 2dnq s GLU 30 Cb 0.04 -1.58 0.10 0.00 0.10 0.00 0.00 34.13 32.78 2dnq s GLU 30 CO 0.29 0.32 0.28 0.00 0.02 0.00 0.00 175.26 176.17 2dnq s ASP 32 N 2.41 2.92 -0.23 0.00 2.15 -0.87 -4.96 116.67 118.10 2dnq s ASP 32 Ca 0.07 -1.20 -0.03 0.00 0.43 0.00 0.00 52.55 51.81 2dnq s ASP 32 Cb -0.15 -0.20 0.11 0.00 -0.30 0.00 0.00 42.92 42.38 2dnq s ASP 32 CO -0.12 -0.33 0.25 -0.63 -0.17 0.00 0.00 175.17 174.17 2dnq s ILE 33 N -2.95 -0.37 0.13 4.11 1.01 -1.26 -1.69 121.20 120.17 2dnq s ILE 33 Ca 0.30 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 2dnq s ILE 33 Cb 0.04 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 2dnq s ILE 33 CO 0.13 -0.26 0.20 -0.63 0.00 0.00 0.00 174.94 174.38 2dnq s ILE 34 N 2.35 0.10 -1.21 2.92 1.01 0.26 -4.90 121.20 121.74 2dnq s ILE 34 Ca 0.08 -1.44 -0.16 0.00 0.00 0.00 0.00 60.65 59.13 2dnq s ILE 34 Cb -0.15 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.63 2dnq s ILE 34 CO -0.17 -0.47 0.30 0.29 0.00 0.00 0.00 174.94 174.88 2dnq n LYS 35 N -0.13 -0.62 -4.05 2.79 5.02 -1.26 0.19 118.16 120.10 2dnq n LYS 35 Ca -0.10 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.88 2dnq n LYS 35 Cb 0.63 -2.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.06 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 -2.11 -3.48 -3.80 4.39 3.02 -1.26 -4.92 115.26 107.10 2dnq n ASN 36 Ca -0.19 -0.88 -0.10 0.00 -0.03 0.00 0.00 54.58 53.38 2dnq n ASN 36 Cb 0.55 -2.85 -0.07 0.00 -0.61 0.00 0.00 39.78 36.80 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 -3.20 0.02 0.01 3.10 -0.85 0.50 -3.25 117.35 113.67 2dnq s TYR 37 Ca 0.68 -0.32 0.01 0.00 -0.52 0.00 0.00 57.07 56.92 2dnq s TYR 37 Cb -0.37 0.03 -0.01 0.00 0.38 0.00 0.00 41.96 41.99 2dnq s TYR 37 CO 0.84 -0.53 -0.02 0.20 -1.52 0.00 0.00 175.55 174.52 2dnq s GLY 38 N -2.48 0.15 -0.23 5.49 0.00 0.27 0.89 107.32 111.40 2dnq s GLY 38 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 2dnq s GLY 38 CO -0.08 -0.23 -0.10 -1.36 0.00 0.00 0.00 173.10 171.33 2dnq s PHE 39 N -0.41 3.00 -0.14 1.90 0.08 -0.68 -0.92 117.98 120.79 2dnq s PHE 39 Ca -0.03 -1.58 -0.01 0.00 0.12 0.00 0.00 56.93 55.44 2dnq s PHE 39 Cb -0.03 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2dnq s PHE 39 CO -0.00 -0.74 -0.12 0.08 -0.10 0.00 0.00 175.22 174.34 2dnq s VAL 40 N 1.31 3.09 -0.57 -0.44 1.01 -0.61 -2.04 120.40 122.16 2dnq s VAL 40 Ca 0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2dnq s VAL 40 Cb -0.16 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.05 2dnq s VAL 40 CO -0.07 0.51 0.36 -1.00 0.00 0.00 0.00 175.10 174.91 2dnq s HIS 41 N 0.51 3.40 1.04 5.22 3.76 0.04 0.96 115.29 130.22 2dnq s HIS 41 Ca -0.08 -2.79 -0.12 0.00 -0.15 0.00 0.00 55.06 51.92 2dnq s HIS 41 Cb -0.16 -3.12 0.21 0.00 1.11 0.00 0.00 32.58 30.63 2dnq s HIS 41 CO 0.04 -0.84 1.07 -1.50 -0.85 0.00 0.00 174.74 172.66 2dnq s ILE 42 N 0.06 2.18 -0.07 0.60 2.07 0.38 -1.54 121.20 124.90 2dnq s ILE 42 Ca 0.16 0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.49 2dnq s ILE 42 Cb -0.22 -2.33 -0.25 0.00 0.13 0.00 0.00 42.46 39.79 2dnq s ILE 42 CO -0.03 -0.08 0.58 1.05 -1.91 0.00 0.00 174.94 174.55 2dnq h GLU 43 N -2.11 0.14 -6.01 3.50 -0.00 -1.54 -2.43 114.58 106.12 2dnq h GLU 43 Ca -0.55 -0.24 -0.68 0.00 -0.00 0.00 0.00 59.36 57.89 2dnq h GLU 43 Cb 1.32 0.09 -0.23 0.00 -0.00 0.00 0.00 28.75 29.92 2dnq h GLU 43 CO 0.52 0.87 -0.75 0.34 -0.00 0.00 0.00 179.01 179.99 2dnq s ASP 44 N -6.59 4.18 0.00 3.06 2.15 -1.26 -3.72 116.67 114.50 2dnq s ASP 44 Ca -0.12 -0.19 -0.19 0.00 0.43 0.00 0.00 52.55 52.49 2dnq s ASP 44 Cb 0.07 -1.13 -0.10 0.00 -0.30 0.00 0.00 42.92 41.46 2dnq s ASP 44 CO 0.81 0.30 0.93 0.50 -0.17 0.00 0.00 175.17 177.53 2dnq h LYS 45 N 5.70 -0.65 -1.73 4.34 3.64 -1.90 -3.07 116.57 122.90 2dnq h LYS 45 Ca -0.41 0.04 0.53 0.00 -1.27 0.00 0.00 60.65 59.54 2dnq h LYS 45 Cb 1.17 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 33.04 2dnq h LYS 45 CO 0.52 -0.43 1.21 1.15 -2.27 0.00 0.00 179.45 179.63 2dnq h THR 46 N -0.94 0.03 -0.23 1.00 2.02 -1.96 0.93 112.91 113.76 2dnq h THR 46 Ca -0.07 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2dnq h THR 46 Cb 0.51 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2dnq h THR 46 CO 0.11 0.00 0.05 0.00 0.37 0.00 0.00 175.52 176.05 2dnq h ALA 47 N 1.24 0.30 -0.82 6.16 0.00 -1.80 -3.08 119.26 121.27 2dnq h ALA 47 Ca 0.90 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.83 2dnq h ALA 47 Cb 3.36 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 20.92 2dnq h ALA 47 CO -0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 179.25 178.94 2dnq h ALA 48 N 0.86 0.73 -0.58 0.00 0.00 0.94 0.30 119.26 121.51 2dnq h ALA 48 Ca 0.07 0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.32 2dnq h ALA 48 Cb 0.29 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2dnq h ALA 48 CO 0.00 -0.44 0.32 0.93 0.00 0.00 0.00 179.25 180.06 2dnq h GLU 49 N 0.04 0.59 -0.15 0.00 3.07 -1.55 0.22 114.58 116.80 2dnq h GLU 49 Ca 0.43 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2dnq h GLU 49 Cb 0.74 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2dnq h GLU 49 CO -0.79 0.39 0.10 -0.44 -1.40 0.00 0.00 179.01 176.87 2dnq h ASP 50 N 0.60 0.17 0.31 1.42 3.32 -0.44 -2.04 116.42 119.76 2dnq h ASP 50 Ca 0.25 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 2dnq h ASP 50 Cb 0.14 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2dnq h ASP 50 CO -0.16 0.13 -0.15 0.00 -1.72 0.00 0.00 179.24 177.34 2dnq h ALA 51 N 1.05 -0.82 -0.60 3.45 0.00 -0.69 -3.08 119.26 118.56 2dnq h ALA 51 Ca 0.05 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2dnq h ALA 51 Cb -0.02 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2dnq h ALA 51 CO -0.01 -0.79 -0.35 -0.89 0.00 0.00 0.00 179.25 177.20 2dnq n ILE 52 N -3.47 -0.41 -0.36 0.00 5.41 0.75 0.97 119.36 122.26 2dnq n ILE 52 Ca -0.05 1.92 0.02 0.00 1.00 0.00 0.00 62.75 65.64 2dnq n ILE 52 Cb 0.16 -2.42 0.08 0.00 -0.71 0.00 0.00 39.64 36.76 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 -4.38 -0.16 0.00 0.38 0.63 -0.77 0.76 116.66 113.13 2dnq n ARG 53 Ca 0.01 1.47 0.00 0.00 -0.92 0.00 0.00 57.85 58.42 2dnq n ARG 53 Cb 0.16 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 30.87 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 -5.47 0.00 -0.35 6.15 3.02 0.81 -4.26 115.26 115.15 2dnq n ASN 54 Ca 0.12 0.47 -0.09 0.00 -0.03 0.00 0.00 54.58 55.05 2dnq n ASN 54 Cb 0.43 -0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.61 -0.90 -3.58 3.41 4.77 0.27 -4.37 117.00 115.00 2dnq n LEU 55 Ca 0.00 1.51 -0.49 0.00 -0.03 0.00 0.00 56.01 57.00 2dnq n LEU 55 Cb 0.00 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 2dnq n LEU 55 CO 0.00 -1.23 0.65 1.57 -1.33 0.00 0.00 177.39 177.05 2dnq n HIS 56 N -5.05 0.89 -3.10 -1.77 -0.00 0.23 0.11 115.22 106.53 2dnq n HIS 56 Ca 0.02 0.85 -0.20 0.00 0.46 0.00 0.00 57.72 58.85 2dnq n HIS 56 Cb 0.22 -1.67 0.04 0.00 -0.12 0.00 0.00 29.99 28.46 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 2.04 -1.99 -3.20 1.57 8.25 0.33 -4.88 115.22 117.35 2dnq n HIS 57 Ca 0.19 0.60 -0.29 0.00 -0.26 0.00 0.00 57.72 57.97 2dnq n HIS 57 Cb 0.01 -4.21 -0.03 0.00 1.12 0.00 0.00 29.99 26.88 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 -3.16 3.47 -0.63 4.41 6.14 0.30 -4.82 117.35 123.06 2dnq s TYR 58 Ca 0.35 0.75 -0.22 0.00 0.64 0.00 0.00 57.07 58.59 2dnq s TYR 58 Cb -0.15 -2.20 0.08 0.00 0.42 0.00 0.00 41.96 40.11 2dnq s TYR 58 CO 0.43 0.09 0.89 0.21 0.64 0.00 0.00 175.55 177.82 2dnq s LYS 59 N -3.64 3.10 -0.57 4.97 2.20 -1.25 -2.70 119.74 121.86 2dnq s LYS 59 Ca 0.46 -0.92 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2dnq s LYS 59 Cb -0.11 -4.22 0.15 0.00 -1.51 0.00 0.00 37.83 32.14 2dnq s LYS 59 CO 0.30 -1.72 0.35 -1.17 -0.36 0.00 0.00 175.35 172.76 2dnq s LEU 60 N 3.69 4.78 -0.48 5.43 2.96 -0.68 -4.70 118.68 129.68 2dnq s LEU 60 Ca 0.20 -2.94 -0.02 0.00 -0.22 0.00 0.00 54.13 51.15 2dnq s LEU 60 Cb -0.18 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.76 2dnq s LEU 60 CO 0.10 -0.30 0.41 1.41 -1.32 0.00 0.00 176.35 176.65 2dnq n HIS 61 N 3.29 -0.96 -2.89 5.38 8.25 -1.26 -3.58 115.22 123.45 2dnq n HIS 61 Ca 0.07 0.36 -0.12 0.00 -0.26 0.00 0.00 57.72 57.76 2dnq n HIS 61 Cb 0.35 -2.74 0.03 0.00 1.12 0.00 0.00 29.99 28.75 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 0.10 2.94 -1.41 0.00 -1.26 -5.03 105.19 99.47 2dnq n GLY 62 Ca -0.04 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 0.07 -1.03 1.61 0.11 -1.23 -5.08 120.40 111.81 2dnq s VAL 63 Ca 0.24 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 2dnq s VAL 63 Cb -0.11 -0.17 0.30 0.00 -1.53 0.00 0.00 36.38 34.87 2dnq s VAL 63 CO 0.30 -0.30 1.35 0.59 -3.33 0.00 0.00 175.10 173.70 2dnq n ASN 64 N 2.17 5.99 -4.52 3.54 4.13 -1.26 -1.69 115.26 123.64 2dnq n ASN 64 Ca -0.19 -3.37 -0.38 0.00 1.68 0.00 0.00 54.58 52.31 2dnq n ASN 64 Cb 0.57 -1.21 0.04 0.00 -1.54 0.00 0.00 39.78 37.64 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 1.43 2.77 -3.92 2.41 -5.35 -1.10 -4.71 119.36 110.90 2dnq n ILE 65 Ca 0.26 -0.50 -0.35 0.00 -0.27 0.00 0.00 62.75 61.89 2dnq n ILE 65 Cb 0.35 -0.84 -0.14 0.00 -1.74 0.00 0.00 39.64 37.27 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 -1.21 4.40 -0.14 7.28 0.02 -0.76 -0.51 114.94 124.04 2dnq s ASN 66 Ca 0.71 -0.75 -0.01 0.00 -1.02 0.00 0.00 52.86 51.79 2dnq s ASN 66 Cb -0.44 -1.71 -0.02 0.00 0.02 0.00 0.00 41.25 39.11 2dnq s ASN 66 CO 0.52 -0.11 -0.11 -0.69 0.02 0.00 0.00 177.10 176.72 2dnq s VAL 67 N 1.38 3.26 -0.07 1.60 1.01 -1.26 -0.41 120.40 125.91 2dnq s VAL 67 Ca 0.02 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2dnq s VAL 67 Cb -0.16 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.87 2dnq s VAL 67 CO -0.03 0.52 0.43 -1.83 0.00 0.00 0.00 175.10 174.18 2dnq s GLU 68 N 0.34 0.71 0.11 2.72 -1.05 -0.01 -4.66 118.70 116.85 2dnq s GLU 68 Ca -0.09 0.14 -0.31 0.00 -0.15 0.00 0.00 54.97 54.55 2dnq s GLU 68 Cb -0.15 0.33 -0.10 0.00 -0.44 0.00 0.00 34.13 33.77 2dnq s GLU 68 CO 0.05 -0.18 1.74 0.00 0.95 0.00 0.00 175.26 177.82 2dnq s ALA 69 N -0.86 3.74 -0.73 -0.84 0.00 -1.26 -0.71 121.76 121.10 2dnq s ALA 69 Ca -0.09 1.35 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 2dnq s ALA 69 Cb -0.04 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2dnq s ALA 69 CO 0.04 -1.14 1.96 0.45 0.00 0.00 0.00 175.76 177.07 2dnq s SER 70 N 2.46 5.09 0.78 0.00 0.15 -1.26 -4.77 113.70 116.15 2dnq s SER 70 Ca 0.77 -0.05 -0.15 0.00 0.70 0.00 0.00 55.95 57.22 2dnq s SER 70 Cb -0.43 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.30 2dnq s SER 70 CO 0.34 -2.64 0.43 0.29 1.20 0.00 0.00 173.24 172.86 2dnq n LYS 71 N 9.02 0.15 -3.64 5.44 5.02 -1.26 -4.96 118.16 127.94 2dnq n LYS 71 Ca 0.31 0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.59 2dnq n LYS 71 Cb 0.50 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 2dnq n LYS 71 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2dnq s ASN 72 N -1.56 -0.62 -0.10 4.39 2.47 -1.26 -5.15 114.94 113.11 2dnq s ASN 72 Ca 0.62 1.16 -0.26 0.00 0.42 0.00 0.00 52.86 54.80 2dnq s ASN 72 Cb -0.31 1.19 -0.02 0.00 -1.45 0.00 0.00 41.25 40.65 2dnq s ASN 72 CO 0.61 -0.20 0.84 -0.54 -3.72 0.00 0.00 177.10 174.10 2dnq s LYS 73 N 0.50 4.40 -0.48 0.43 -0.14 -1.26 -4.96 119.74 118.24 2dnq s LYS 73 Ca -0.00 1.10 0.03 0.00 -1.36 0.00 0.00 55.97 55.74 2dnq s LYS 73 Cb -0.05 -3.51 0.44 0.00 -1.68 0.00 0.00 37.83 33.03 2dnq s LYS 73 CO -0.05 -0.16 1.50 -1.13 -0.76 0.00 0.00 175.35 174.75 2dnq n SER 74 N 4.53 5.94 -4.55 2.83 3.41 -1.26 -4.99 113.62 119.53 2dnq n SER 74 Ca 0.04 -3.77 -0.42 0.00 -0.26 0.00 0.00 58.87 54.46 2dnq n SER 74 Cb 0.50 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 2dnq n SER 74 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2dnq s LYS 75 N -3.70 3.39 -0.18 4.33 2.36 -1.26 -4.99 119.74 119.68 2dnq s LYS 75 Ca 0.55 -0.05 0.01 0.00 -2.55 0.00 0.00 55.97 53.93 2dnq s LYS 75 Cb 0.44 -4.06 0.03 0.00 -1.05 0.00 0.00 37.83 33.20 2dnq s LYS 75 CO -0.06 -1.67 -0.13 0.00 1.55 0.00 0.00 175.35 175.04 2dnq s ALA 76 N 4.63 2.03 0.21 3.13 0.00 -1.26 -5.01 121.76 125.50 2dnq s ALA 76 Ca 0.36 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 2dnq s ALA 76 Cb -0.10 -1.21 0.30 0.00 0.00 0.00 0.00 23.12 22.12 2dnq s ALA 76 CO 0.21 -0.63 1.73 0.66 0.00 0.00 0.00 175.76 177.73 2dnq h SER 77 N 7.98 0.13 -3.25 0.00 4.64 -2.06 -3.43 113.55 117.56 2dnq h SER 77 Ca -0.33 0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 2dnq h SER 77 Cb 1.11 0.10 -0.24 0.00 -0.31 0.00 0.00 62.40 63.07 2dnq h SER 77 CO 0.52 0.08 0.25 -0.44 -0.87 0.00 0.00 176.83 176.36 2dnq s SER 78 N -5.34 -0.66 -0.42 4.97 0.01 -1.26 -5.12 113.70 105.87 2dnq s SER 78 Ca -0.13 1.18 0.04 0.00 1.31 0.00 0.00 55.95 58.35 2dnq s SER 78 Cb 0.18 1.23 0.17 0.00 0.21 0.00 0.00 66.02 67.80 2dnq s SER 78 CO 0.74 -0.20 0.45 -0.83 0.41 0.00 0.00 173.24 173.81 2dnq s GLY 79 N 0.82 0.03 -0.55 3.44 0.00 -1.26 -5.10 107.32 104.69 2dnq s GLY 79 Ca -0.03 -1.26 -0.28 0.00 0.00 0.00 0.00 44.72 43.15 2dnq s GLY 79 CO -0.09 2.78 1.36 2.56 0.00 0.00 0.00 173.10 179.71 2dnq s PRO 80 N 0.92 3.37 -0.13 2.90 0.04 -1.26 -5.00 135.00 135.84 2dnq s PRO 80 Ca 0.24 0.44 -0.03 0.00 0.04 0.00 0.00 61.00 61.69 2dnq s PRO 80 Cb -0.07 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 2dnq s PRO 80 CO -0.08 -1.85 -0.03 -1.54 0.04 0.00 0.00 177.00 173.54 2dnq s SER 81 N 4.05 4.92 1.11 6.66 1.04 -1.26 -5.10 113.70 125.12 2dnq s SER 81 Ca 0.51 -0.04 -0.18 0.00 0.48 0.00 0.00 55.95 56.72 2dnq s SER 81 Cb -0.10 -1.63 0.11 0.00 0.10 0.00 0.00 66.02 64.50 2dnq s SER 81 CO 0.26 0.24 0.10 -1.54 0.98 0.00 0.00 173.24 173.28 2dnq n SER 82 N 3.03 -2.31 0.00 7.02 3.41 -1.26 -5.36 113.62 118.16 2dnq n SER 82 Ca -0.18 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 2dnq n SER 82 Cb 0.53 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2dnq n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49