#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 -4.09 1.61 7.64 -1.26 -4.98 113.62 119.08 2dnq n SER -5 Ca 0.00 -3.78 -0.07 0.00 1.01 0.00 0.00 58.87 56.03 2dnq n SER -5 Cb 0.00 -0.76 -0.10 0.00 -1.01 0.00 0.00 64.21 62.34 2dnq n SER -5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dnq s SER -4 N -2.38 0.53 0.30 6.43 0.15 -1.26 -5.17 113.70 112.30 2dnq s SER -4 Ca 0.56 -0.98 -0.07 0.00 0.70 0.00 0.00 55.95 56.16 2dnq s SER -4 Cb 0.45 0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.98 2dnq s SER -4 CO -0.10 -0.58 0.52 0.61 1.20 0.00 0.00 173.24 174.90 2dnq n GLY -3 N 0.15 1.69 2.96 9.45 0.00 -1.26 -5.16 105.19 113.03 2dnq n GLY -3 Ca -0.14 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 2dnq n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnq s SER -2 N -2.70 2.34 -0.19 1.61 0.15 -1.26 -5.02 113.70 108.63 2dnq s SER -2 Ca 0.18 -0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.27 2dnq s SER -2 Cb -0.03 -0.97 -0.15 0.00 -1.71 0.00 0.00 66.02 63.16 2dnq s SER -2 CO 0.13 -0.08 0.13 0.77 1.20 0.00 0.00 173.24 175.38 2dnq h SER -1 N 8.02 0.00 0.00 5.45 4.64 -2.02 -3.51 113.55 126.13 2dnq h SER -1 Ca -0.33 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 2dnq h SER -1 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2dnq h SER -1 CO 0.46 1.29 0.00 0.61 -0.87 0.00 0.00 176.83 178.32 2dnq n GLY 0 N 1.48 1.16 3.85 -0.77 0.00 -1.26 -5.17 105.19 104.48 2dnq n GLY 0 Ca -0.25 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 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 1.70 2.59 -0.05 1.61 0.00 -1.25 -4.39 119.30 119.51 2dnq s MET 1 Ca 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 55.69 54.24 2dnq s MET 1 Cb 0.00 -2.39 0.03 0.00 0.00 0.00 0.00 34.83 32.47 2dnq s MET 1 CO 0.00 -0.04 0.00 0.08 0.00 0.00 0.00 175.02 175.06 2dnq s VAL 2 N -2.40 0.26 0.41 5.16 1.01 -1.14 -4.94 120.40 118.75 2dnq s VAL 2 Ca 0.44 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 2dnq s VAL 2 Cb -0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 36.38 35.85 2dnq s VAL 2 CO 0.27 0.20 0.87 -0.75 0.00 0.00 0.00 175.10 175.69 2dnq s LYS 3 N 1.47 4.09 -0.09 2.72 2.20 -1.26 -1.40 119.74 127.48 2dnq s LYS 3 Ca -0.03 0.91 -0.00 0.00 -0.36 0.00 0.00 55.97 56.49 2dnq s LYS 3 Cb -0.13 -2.27 0.02 0.00 -1.51 0.00 0.00 37.83 33.95 2dnq s LYS 3 CO -0.03 -0.00 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.39 2dnq s LEU 4 N -3.28 1.09 -0.14 5.43 1.43 0.75 -3.77 118.68 120.19 2dnq s LEU 4 Ca 0.58 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 53.19 2dnq s LEU 4 Cb -0.10 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 2dnq s LEU 4 CO 0.18 -0.11 0.93 0.12 0.23 0.00 0.00 176.35 177.69 2dnq s PHE 5 N 1.57 3.46 -0.26 0.29 5.36 0.61 -2.06 117.98 126.94 2dnq s PHE 5 Ca 0.01 1.43 0.03 0.00 -0.96 0.00 0.00 56.93 57.44 2dnq s PHE 5 Cb -0.13 -3.12 0.06 0.00 -0.34 0.00 0.00 43.02 39.50 2dnq s PHE 5 CO -0.05 -0.25 -0.10 0.42 -1.46 0.00 0.00 175.22 173.78 2dnq s ILE 6 N 2.17 2.21 0.37 3.12 1.01 0.04 -1.30 121.20 128.83 2dnq s ILE 6 Ca 0.43 -1.65 0.08 0.00 0.00 0.00 0.00 60.65 59.51 2dnq s ILE 6 Cb -0.17 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 2dnq s ILE 6 CO 0.14 -0.05 0.35 -0.83 0.00 0.00 0.00 174.94 174.55 2dnq s GLY 7 N 1.10 1.93 -0.86 6.18 0.00 -0.37 -0.90 107.32 114.40 2dnq s GLY 7 Ca -0.08 -1.75 -0.02 0.00 0.00 0.00 0.00 44.72 42.87 2dnq s GLY 7 CO -0.05 -1.62 0.73 -2.01 0.00 0.00 0.00 173.10 170.15 2dnq n ASN 8 N -1.48 -3.36 -4.83 1.64 5.15 -1.24 -1.73 115.26 109.41 2dnq n ASN 8 Ca 0.01 -0.49 -0.38 0.00 -0.60 0.00 0.00 54.58 53.12 2dnq n ASN 8 Cb 0.60 -4.01 -0.06 0.00 -0.53 0.00 0.00 39.78 35.78 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 -5.10 4.46 0.00 1.20 1.43 -1.26 -4.38 118.68 115.04 2dnq s LEU 9 Ca 0.13 0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 54.18 2dnq s LEU 9 Cb -0.02 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.62 2dnq s LEU 9 CO 0.55 0.30 0.18 -0.81 0.23 0.00 0.00 176.35 176.80 2dnq n PRO 10 N 1.95 -0.28 -0.03 1.29 -0.04 -1.26 -4.95 135.00 131.68 2dnq n PRO 10 Ca -0.13 -0.28 -0.11 0.00 -0.04 0.00 0.00 63.50 62.94 2dnq n PRO 10 Cb 0.52 -0.19 -0.14 0.00 -0.04 0.00 0.00 33.50 33.65 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 -1.44 0.66 0.16 0.54 0.63 -1.26 -4.08 116.66 111.88 2dnq n ARG 11 Ca 0.02 0.25 0.03 0.00 -0.92 0.00 0.00 57.85 57.24 2dnq n ARG 11 Cb 0.08 -1.74 0.24 0.00 0.45 0.00 0.00 32.46 31.49 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 0.01 0.00 -6.42 -0.14 4.39 -1.97 -3.45 114.58 107.00 2dnq h GLU 12 Ca -0.35 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.73 2dnq h GLU 12 Cb 2.04 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 30.78 2dnq h GLU 12 CO 0.07 0.48 0.27 0.00 -1.16 0.00 0.00 179.01 178.67 2dnq n ALA 13 N -2.33 -0.28 -2.79 3.43 0.00 -1.26 -4.99 120.51 112.29 2dnq n ALA 13 Ca -0.00 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.71 2dnq n ALA 13 Cb 0.58 -2.06 -0.13 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.50 0.49 0.28 0.00 -4.23 -1.26 -4.98 115.64 105.44 2dnq s THR 14 Ca 0.67 -0.57 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2dnq s THR 14 Cb -0.76 -0.47 0.39 0.00 1.34 0.00 0.00 72.50 73.00 2dnq s THR 14 CO 0.55 -0.07 1.43 -0.62 -0.54 0.00 0.00 174.62 175.36 2dnq n GLU 15 N 2.37 -0.07 0.24 3.99 1.02 -1.26 0.10 120.64 127.02 2dnq n GLU 15 Ca -0.17 1.38 -0.16 0.00 -0.02 0.00 0.00 57.16 58.19 2dnq n GLU 15 Cb 0.57 -2.16 -0.08 0.00 -0.02 0.00 0.00 31.44 29.75 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 -0.67 -0.73 3.49 4.15 -1.97 0.21 115.11 119.59 2dnq h GLN 16 Ca 0.53 0.05 0.16 0.00 0.77 0.00 0.00 58.65 60.15 2dnq h GLN 16 Cb 1.04 0.15 -0.11 0.00 0.21 0.00 0.00 27.48 28.77 2dnq h GLN 16 CO -0.87 -0.45 0.20 0.93 -1.93 0.00 0.00 178.83 176.71 2dnq h GLU 17 N -0.69 0.29 0.16 1.69 4.39 -0.75 -0.43 114.58 119.24 2dnq h GLU 17 Ca -0.04 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2dnq h GLU 17 Cb 0.60 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2dnq h GLU 17 CO 0.00 0.19 -0.08 0.82 -1.16 0.00 0.00 179.01 178.79 2dnq h ILE 18 N 0.30 0.00 -0.88 3.13 1.08 -0.89 -2.50 117.51 117.75 2dnq h ILE 18 Ca 0.41 -0.09 0.22 0.00 -0.39 0.00 0.00 64.86 65.01 2dnq h ILE 18 Cb 0.69 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.27 2dnq h ILE 18 CO -0.48 0.00 -0.05 -1.14 -0.69 0.00 0.00 178.15 175.78 2dnq n ARG 19 N -2.84 -0.07 0.27 2.37 0.63 0.70 0.15 116.66 117.86 2dnq n ARG 19 Ca -0.03 1.34 -0.16 0.00 -0.92 0.00 0.00 57.85 58.08 2dnq n ARG 19 Cb 0.08 -2.08 -0.08 0.00 0.45 0.00 0.00 32.46 30.83 2dnq n ARG 19 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2dnq h SER 20 N 0.00 -0.76 -1.09 6.15 0.87 -1.12 -0.51 113.55 117.08 2dnq h SER 20 Ca 0.50 0.05 0.43 0.00 -1.23 0.00 0.00 61.79 61.54 2dnq h SER 20 Cb 0.96 0.23 -0.17 0.00 -0.44 0.00 0.00 62.40 62.98 2dnq h SER 20 CO -0.85 -0.47 0.62 -0.07 -0.53 0.00 0.00 176.83 175.53 2dnq h LEU 21 N -0.73 0.30 0.21 2.23 3.38 0.18 1.08 115.31 121.95 2dnq h LEU 21 Ca -0.05 0.23 -0.31 0.00 0.09 0.00 0.00 57.88 57.84 2dnq h LEU 21 Cb 0.61 0.24 0.03 0.00 0.09 0.00 0.00 40.66 41.63 2dnq h LEU 21 CO 0.04 -0.39 -1.39 -0.26 0.09 0.00 0.00 178.44 176.53 2dnq h PHE 22 N 0.01 0.81 -0.31 1.13 0.04 -1.10 -3.25 116.94 114.26 2dnq h PHE 22 Ca 0.85 -0.59 0.09 0.00 2.80 0.00 0.00 57.97 61.13 2dnq h PHE 22 Cb 2.37 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 40.47 2dnq h PHE 22 CO -0.01 1.46 0.58 0.93 -0.60 0.00 0.00 178.31 180.67 2dnq h GLU 23 N 0.12 0.00 -0.13 1.51 4.39 0.28 0.65 114.58 121.41 2dnq h GLU 23 Ca -0.21 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.36 2dnq h GLU 23 Cb 2.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.73 2dnq h GLU 23 CO 0.25 0.00 -0.49 1.96 -1.16 0.00 0.00 179.01 179.57 2dnq h GLN 24 N 0.00 0.33 -0.24 2.33 4.20 -1.49 -3.14 115.11 117.10 2dnq h GLN 24 Ca 0.15 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 2dnq h GLN 24 Cb 1.31 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.03 2dnq h GLN 24 CO -0.00 0.76 -0.19 0.66 -0.67 0.00 0.00 178.83 179.38 2dnq n TYR 25 N -3.96 0.74 0.00 2.96 4.02 0.22 -5.01 117.16 116.12 2dnq n TYR 25 Ca -0.02 -1.52 0.00 0.00 -0.01 0.00 0.00 57.90 56.35 2dnq n TYR 25 Cb 0.55 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.11 4.31 3.58 2.72 0.00 -0.62 -4.41 105.19 109.67 2dnq n GLY 26 Ca 0.28 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 0.80 -3.94 1.61 4.81 -1.26 -2.97 118.16 116.73 2dnq n LYS 27 Ca 0.00 0.31 -0.31 0.00 -0.87 0.00 0.00 58.31 57.44 2dnq n LYS 27 Cb 0.00 -2.06 -0.04 0.00 0.02 0.00 0.00 35.03 32.94 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 -1.56 5.26 -0.15 3.15 1.01 -1.26 -2.02 120.40 124.83 2dnq s VAL 28 Ca 0.74 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2dnq s VAL 28 Cb -0.42 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 2dnq s VAL 28 CO 0.48 0.14 -0.19 0.18 0.00 0.00 0.00 175.10 175.72 2dnq n LEU 29 N 0.33 1.38 -4.05 3.92 4.77 0.14 -4.91 117.00 118.58 2dnq n LEU 29 Ca -0.06 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 2dnq n LEU 29 Cb 0.51 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 2dnq n LEU 29 CO 0.51 0.39 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.84 2dnq s GLU 30 N -2.28 0.55 -0.20 3.23 2.12 -1.22 -4.96 118.70 115.93 2dnq s GLU 30 Ca -0.21 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 2dnq s GLU 30 Cb 0.08 -0.39 0.09 0.00 0.26 0.00 0.00 34.13 34.17 2dnq s GLU 30 CO 0.28 0.08 0.24 0.00 -0.54 0.00 0.00 175.26 175.33 2dnq s ASP 32 N 2.36 2.70 -0.25 0.00 2.15 -0.88 -4.97 116.67 117.78 2dnq s ASP 32 Ca 0.07 -1.04 -0.02 0.00 0.43 0.00 0.00 52.55 51.98 2dnq s ASP 32 Cb -0.15 -0.16 0.12 0.00 -0.30 0.00 0.00 42.92 42.43 2dnq s ASP 32 CO -0.12 -0.17 0.29 -0.63 -0.17 0.00 0.00 175.17 174.37 2dnq s ILE 33 N -2.93 -0.42 0.10 4.11 1.01 -1.26 -1.52 121.20 120.29 2dnq s ILE 33 Ca 0.24 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 2dnq s ILE 33 Cb -0.01 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 2dnq s ILE 33 CO 0.08 -0.29 0.18 -0.63 0.00 0.00 0.00 174.94 174.28 2dnq s ILE 34 N 2.39 0.13 -1.37 2.92 1.01 0.27 -4.90 121.20 121.66 2dnq s ILE 34 Ca 0.09 -1.31 -0.18 0.00 0.00 0.00 0.00 60.65 59.25 2dnq s ILE 34 Cb -0.15 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.86 2dnq s ILE 34 CO -0.21 -0.61 0.37 0.29 0.00 0.00 0.00 174.94 174.78 2dnq n LYS 35 N -0.08 -0.74 -4.08 2.79 5.02 -1.26 0.19 118.16 120.01 2dnq n LYS 35 Ca -0.13 0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2dnq n LYS 35 Cb 0.62 -3.13 -0.04 0.00 -0.02 0.00 0.00 35.03 32.47 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 -2.53 -0.83 -3.49 4.39 3.02 -1.26 -4.93 115.26 109.63 2dnq n ASN 36 Ca -0.22 -1.05 -0.14 0.00 -0.03 0.00 0.00 54.58 53.14 2dnq n ASN 36 Cb 0.63 -2.74 -0.04 0.00 -0.61 0.00 0.00 39.78 37.02 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 -3.86 -0.54 0.02 3.10 -0.85 0.13 -3.74 117.35 111.61 2dnq s TYR 37 Ca 0.19 0.65 0.01 0.00 -0.52 0.00 0.00 57.07 57.40 2dnq s TYR 37 Cb -0.10 0.49 -0.01 0.00 0.38 0.00 0.00 41.96 42.72 2dnq s TYR 37 CO 0.92 -0.66 -0.05 0.20 -1.52 0.00 0.00 175.55 174.43 2dnq s GLY 38 N -1.95 0.30 -0.17 5.49 0.00 -0.08 0.97 107.32 111.87 2dnq s GLY 38 Ca -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 2dnq s GLY 38 CO -0.02 -0.43 -0.11 -1.36 0.00 0.00 0.00 173.10 171.18 2dnq s PHE 39 N -0.70 2.86 -0.18 1.90 0.08 -0.57 -0.78 117.98 120.59 2dnq s PHE 39 Ca -0.05 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.08 2dnq s PHE 39 Cb -0.05 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.44 2dnq s PHE 39 CO -0.00 -0.45 -0.17 0.08 -0.10 0.00 0.00 175.22 174.59 2dnq s VAL 40 N 0.96 2.39 -0.63 -0.44 1.01 -0.87 -2.08 120.40 120.75 2dnq s VAL 40 Ca -0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 2dnq s VAL 40 Cb -0.15 -2.02 0.16 0.00 0.00 0.00 0.00 36.38 34.37 2dnq s VAL 40 CO -0.01 0.52 0.56 -1.00 0.00 0.00 0.00 175.10 175.16 2dnq s HIS 41 N 1.18 3.46 0.94 5.22 3.76 -0.68 -0.18 115.29 128.99 2dnq s HIS 41 Ca 0.02 -1.71 -0.12 0.00 -0.15 0.00 0.00 55.06 53.10 2dnq s HIS 41 Cb -0.14 -3.72 0.16 0.00 1.11 0.00 0.00 32.58 29.99 2dnq s HIS 41 CO -0.08 -1.00 1.10 -1.50 -0.85 0.00 0.00 174.74 172.42 2dnq s ILE 42 N 0.99 2.26 0.00 0.60 2.07 -0.49 0.26 121.20 126.89 2dnq s ILE 42 Ca 0.09 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 2dnq s ILE 42 Cb -0.22 -2.65 0.00 0.00 0.13 0.00 0.00 42.46 39.72 2dnq s ILE 42 CO -0.02 -0.11 0.34 1.21 -1.91 0.00 0.00 174.94 174.45 2dnq n GLU 43 N -3.98 0.00 -3.87 3.50 4.07 -0.85 -2.91 120.64 116.60 2dnq n GLU 43 Ca 0.06 0.24 -0.32 0.00 -0.06 0.00 0.00 57.16 57.08 2dnq n GLU 43 Cb 0.57 -0.97 -0.05 0.00 -0.06 0.00 0.00 31.44 30.94 2dnq n GLU 43 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2dnq s ASP 44 N -1.98 6.39 0.08 4.31 1.01 -1.26 -3.90 116.67 121.33 2dnq s ASP 44 Ca 0.00 0.36 -0.35 0.00 0.71 0.00 0.00 52.55 53.27 2dnq s ASP 44 Cb 0.00 -2.00 -0.17 0.00 1.01 0.00 0.00 42.92 41.75 2dnq s ASP 44 CO 0.00 0.21 1.55 0.50 0.21 0.00 0.00 175.17 177.64 2dnq h LYS 45 N 3.47 -0.98 -1.36 8.23 3.64 -1.90 -1.75 116.57 125.92 2dnq h LYS 45 Ca -0.47 0.07 0.41 0.00 -1.27 0.00 0.00 60.65 59.39 2dnq h LYS 45 Cb 1.18 0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 33.12 2dnq h LYS 45 CO 0.72 -0.65 0.92 1.15 -2.27 0.00 0.00 179.45 179.32 2dnq h THR 46 N -1.02 0.23 -0.67 1.00 2.02 -1.99 0.97 112.91 113.46 2dnq h THR 46 Ca -0.07 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 2dnq h THR 46 Cb 0.87 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2dnq h THR 46 CO -0.04 0.02 0.30 0.00 0.37 0.00 0.00 175.52 176.16 2dnq h ALA 47 N 1.46 1.26 0.80 6.16 0.00 -1.57 -2.99 119.26 124.37 2dnq h ALA 47 Ca 0.75 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.47 2dnq h ALA 47 Cb 2.54 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 20.07 2dnq h ALA 47 CO -0.24 0.56 -0.39 0.00 0.00 0.00 0.00 179.25 179.18 2dnq h ALA 48 N 1.37 -1.29 -0.90 0.00 0.00 0.11 -2.96 119.26 115.58 2dnq h ALA 48 Ca 0.23 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2dnq h ALA 48 Cb 0.14 0.42 -0.16 0.00 0.00 0.00 0.00 17.79 18.18 2dnq h ALA 48 CO -0.03 -1.21 -0.28 0.93 0.00 0.00 0.00 179.25 178.67 2dnq h GLU 49 N -1.07 -0.02 -0.90 0.00 4.39 -1.52 0.74 114.58 116.20 2dnq h GLU 49 Ca -0.11 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.82 2dnq h GLU 49 Cb 0.82 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.35 2dnq h GLU 49 CO 0.18 -0.01 0.41 -0.44 -1.16 0.00 0.00 179.01 177.98 2dnq h ASP 50 N -0.02 0.35 0.06 1.42 5.19 -1.44 -1.50 116.42 120.49 2dnq h ASP 50 Ca 0.40 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.96 2dnq h ASP 50 Cb 0.64 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.28 2dnq h ASP 50 CO -0.93 0.00 -0.03 0.00 -3.12 0.00 0.00 179.24 175.16 2dnq h ALA 51 N 1.71 -0.11 -0.43 3.45 0.00 0.49 -3.35 119.26 121.02 2dnq h ALA 51 Ca 0.57 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.50 2dnq h ALA 51 Cb 1.08 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2dnq h ALA 51 CO -0.53 -0.11 -0.26 -0.89 0.00 0.00 0.00 179.25 177.47 2dnq n ILE 52 N -3.95 -0.29 -0.28 0.00 5.41 0.57 0.38 119.36 121.20 2dnq n ILE 52 Ca -0.01 1.46 0.00 0.00 1.00 0.00 0.00 62.75 65.20 2dnq n ILE 52 Cb 0.03 -1.85 0.04 0.00 -0.71 0.00 0.00 39.64 37.16 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 -4.04 -0.15 0.00 0.38 0.63 -0.58 0.23 116.66 113.12 2dnq n ARG 53 Ca 0.01 1.14 0.00 0.00 -0.92 0.00 0.00 57.85 58.08 2dnq n ARG 53 Cb 0.11 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.33 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 -5.11 0.00 -0.22 6.15 3.02 0.16 -4.14 115.26 115.13 2dnq n ASN 54 Ca 0.08 0.54 -0.01 0.00 -0.03 0.00 0.00 54.58 55.17 2dnq n ASN 54 Cb 0.31 -0.47 0.02 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 -1.92 -0.38 -3.57 3.41 4.77 0.99 -4.35 117.00 115.94 2dnq n LEU 55 Ca 0.00 0.98 -0.51 0.00 -0.03 0.00 0.00 56.01 56.46 2dnq n LEU 55 Cb 0.00 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 40.78 2dnq n LEU 55 CO 0.00 -0.88 1.35 1.57 -1.33 0.00 0.00 177.39 178.10 2dnq n HIS 56 N -4.82 1.04 -2.31 -1.77 -0.00 0.13 0.23 115.22 107.73 2dnq n HIS 56 Ca 0.05 0.69 -0.05 0.00 0.46 0.00 0.00 57.72 58.87 2dnq n HIS 56 Cb 0.22 -1.88 0.00 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 5.71 -0.40 -2.70 1.57 8.25 -0.98 -4.96 115.22 121.71 2dnq n HIS 57 Ca 0.42 0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 57.53 2dnq n HIS 57 Cb -0.04 -1.83 -0.03 0.00 1.12 0.00 0.00 29.99 29.22 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 -2.52 3.19 -0.57 4.41 6.14 0.64 -4.77 117.35 123.88 2dnq s TYR 58 Ca 0.05 1.16 -0.27 0.00 0.64 0.00 0.00 57.07 58.65 2dnq s TYR 58 Cb -0.02 -3.54 -0.09 0.00 0.42 0.00 0.00 41.96 38.73 2dnq s TYR 58 CO 0.06 -0.69 2.46 1.17 0.64 0.00 0.00 175.55 179.19 2dnq n LYS 59 N 6.66 0.88 -3.86 4.97 4.81 -1.25 -3.86 118.16 126.51 2dnq n LYS 59 Ca 0.10 -0.02 -0.33 0.00 -0.87 0.00 0.00 58.31 57.20 2dnq n LYS 59 Cb 0.47 -3.18 -0.12 0.00 0.02 0.00 0.00 35.03 32.22 2dnq n LYS 59 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2dnq s LEU 60 N 11.83 4.74 -0.43 3.14 2.96 -0.47 -4.70 118.68 135.76 2dnq s LEU 60 Ca 1.03 -2.86 -0.02 0.00 -0.22 0.00 0.00 54.13 52.06 2dnq s LEU 60 Cb -0.33 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2dnq s LEU 60 CO 0.29 -0.30 0.37 1.41 -1.32 0.00 0.00 176.35 176.80 2dnq n HIS 61 N 3.38 -0.88 -2.58 5.38 8.25 -1.26 -3.51 115.22 124.00 2dnq n HIS 61 Ca 0.06 0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 57.72 2dnq n HIS 61 Cb 0.35 -2.49 0.01 0.00 1.12 0.00 0.00 29.99 28.99 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 0.02 2.97 -1.41 0.00 -1.26 -5.03 105.19 99.47 2dnq n GLY 62 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.81 0.17 -1.05 1.61 0.11 -1.23 -5.09 120.40 112.10 2dnq s VAL 63 Ca 0.13 -0.69 -0.06 0.00 -2.93 0.00 0.00 61.98 58.43 2dnq s VAL 63 Cb -0.06 -0.26 0.27 0.00 -1.53 0.00 0.00 36.38 34.80 2dnq s VAL 63 CO 0.16 -0.33 1.07 0.59 -3.33 0.00 0.00 175.10 173.26 2dnq n ASN 64 N 1.99 5.27 -4.28 3.54 3.02 -1.26 -1.37 115.26 122.17 2dnq n ASN 64 Ca -0.20 -3.11 -0.33 0.00 -0.03 0.00 0.00 54.58 50.90 2dnq n ASN 64 Cb 0.56 -1.27 0.14 0.00 -0.61 0.00 0.00 39.78 38.60 2dnq n ASN 64 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2dnq n ILE 65 N 2.39 0.00 -3.88 2.41 -5.35 -1.25 -4.74 119.36 108.93 2dnq n ILE 65 Ca 0.24 -0.25 -0.29 0.00 -0.27 0.00 0.00 62.75 62.18 2dnq n ILE 65 Cb 0.38 -0.52 -0.16 0.00 -1.74 0.00 0.00 39.64 37.59 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 -1.77 3.18 -0.20 7.28 -0.87 -0.70 -2.32 114.94 119.53 2dnq s ASN 66 Ca 0.54 -0.86 -0.07 0.00 -1.57 0.00 0.00 52.86 50.90 2dnq s ASN 66 Cb -0.13 -0.96 -0.04 0.00 -0.02 0.00 0.00 41.25 40.11 2dnq s ASN 66 CO 0.67 -0.22 0.05 -0.69 -2.57 0.00 0.00 177.10 174.35 2dnq s VAL 67 N 1.59 4.51 -0.10 1.60 1.01 -1.26 -1.24 120.40 126.51 2dnq s VAL 67 Ca -0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 2dnq s VAL 67 Cb -0.17 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.19 2dnq s VAL 67 CO -0.07 0.42 0.37 -0.70 0.00 0.00 0.00 175.10 175.11 2dnq s GLU 68 N 0.83 0.53 -0.11 2.72 2.12 -0.42 -4.79 118.70 119.58 2dnq s GLU 68 Ca 0.03 0.29 -0.29 0.00 0.36 0.00 0.00 54.97 55.36 2dnq s GLU 68 Cb -0.14 0.25 -0.05 0.00 0.26 0.00 0.00 34.13 34.45 2dnq s GLU 68 CO 0.02 -0.10 1.72 0.00 -0.54 0.00 0.00 175.26 176.36 2dnq s ALA 69 N -0.32 3.44 0.38 6.30 0.00 -1.26 -0.28 121.76 130.02 2dnq s ALA 69 Ca -0.05 0.82 0.20 0.00 0.00 0.00 0.00 51.96 52.93 2dnq s ALA 69 Cb -0.03 -3.81 1.20 0.00 0.00 0.00 0.00 23.12 20.47 2dnq s ALA 69 CO 0.02 -1.70 1.67 1.03 0.00 0.00 0.00 175.76 176.78 2dnq h SER 70 N 10.44 0.42 -3.21 0.00 0.87 -1.90 -3.36 113.55 116.82 2dnq h SER 70 Ca -0.39 0.16 -0.37 0.00 -1.23 0.00 0.00 61.79 59.96 2dnq h SER 70 Cb 1.18 0.12 -0.39 0.00 -0.44 0.00 0.00 62.40 62.87 2dnq h SER 70 CO 0.97 -0.12 -0.72 -0.75 -0.53 0.00 0.00 176.83 175.68 2dnq s LYS 71 N -5.52 -0.03 -0.90 2.24 2.20 -1.26 -5.02 119.74 111.45 2dnq s LYS 71 Ca -0.09 0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.74 2dnq s LYS 71 Cb 0.29 -0.69 0.23 0.00 -1.51 0.00 0.00 37.83 36.15 2dnq s LYS 71 CO 0.80 -0.39 0.84 -0.80 -0.36 0.00 0.00 175.35 175.44 2dnq s ASN 72 N 2.19 6.82 -0.29 1.43 -0.87 -1.26 -4.95 114.94 118.00 2dnq s ASN 72 Ca 0.04 -2.97 -0.16 0.00 -1.57 0.00 0.00 52.86 48.20 2dnq s ASN 72 Cb -0.13 -2.18 0.18 0.00 -0.02 0.00 0.00 41.25 39.10 2dnq s ASN 72 CO -0.05 -0.48 1.12 -0.75 -2.57 0.00 0.00 177.10 174.38 2dnq s LYS 73 N -0.27 0.21 0.15 -0.60 2.20 -1.26 -5.16 119.74 115.01 2dnq s LYS 73 Ca 0.21 0.37 -0.24 0.00 -0.36 0.00 0.00 55.97 55.96 2dnq s LYS 73 Cb -0.10 0.05 -0.08 0.00 -1.51 0.00 0.00 37.83 36.19 2dnq s LYS 73 CO -0.09 -0.05 0.72 -1.12 -0.36 0.00 0.00 175.35 174.46 2dnq s SER 74 N 1.25 7.30 -0.03 1.43 0.01 -1.26 -5.01 113.70 117.39 2dnq s SER 74 Ca -0.08 1.54 -0.13 0.00 1.31 0.00 0.00 55.95 58.59 2dnq s SER 74 Cb -0.03 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 2dnq s SER 74 CO -0.13 0.22 0.58 0.11 0.41 0.00 0.00 173.24 174.44 2dnq h LYS 75 N 4.34 -0.46 -5.11 12.44 6.56 -2.02 -3.43 116.57 128.89 2dnq h LYS 75 Ca -0.48 0.03 -0.63 0.00 -1.06 0.00 0.00 60.65 58.52 2dnq h LYS 75 Cb 1.21 0.10 -0.15 0.00 -0.57 0.00 0.00 32.23 32.82 2dnq h LYS 75 CO 0.65 -0.30 -0.33 0.00 -2.06 0.00 0.00 179.45 177.40 2dnq s ALA 76 N -3.78 3.56 0.48 3.86 0.00 -1.26 -5.07 121.76 119.54 2dnq s ALA 76 Ca -0.07 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2dnq s ALA 76 Cb 0.01 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2dnq s ALA 76 CO 0.21 -0.54 0.00 0.45 0.00 0.00 0.00 175.76 175.88 2dnq s SER 77 N 1.54 4.05 -0.32 0.00 0.15 -1.26 -5.05 113.70 112.80 2dnq s SER 77 Ca 0.13 -1.56 -0.28 0.00 0.70 0.00 0.00 55.95 54.94 2dnq s SER 77 Cb -0.15 0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 64.30 2dnq s SER 77 CO 0.09 -0.71 2.29 -1.20 1.20 0.00 0.00 173.24 174.91 2dnq n SER 78 N -1.16 2.84 0.00 5.45 7.64 -1.26 -4.72 113.62 122.41 2dnq n SER 78 Ca -0.14 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2dnq n SER 78 Cb 0.67 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2dnq n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnq n GLY 79 N 5.93 4.52 3.78 0.23 0.00 -1.26 -5.12 105.19 113.28 2dnq n GLY 79 Ca 0.34 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.54 4.54 -1.20 1.61 0.04 -1.26 -4.98 135.00 129.21 2dnq s PRO 80 Ca 0.00 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.24 2dnq s PRO 80 Cb 0.00 -2.78 0.12 0.00 0.04 0.00 0.00 34.50 31.88 2dnq s PRO 80 CO 0.00 0.23 1.51 -1.12 0.04 0.00 0.00 177.00 177.66 2dnq s SER 81 N -1.59 6.91 0.43 6.66 0.01 -1.26 -4.81 113.70 120.04 2dnq s SER 81 Ca 0.51 -2.60 0.15 0.00 1.31 0.00 0.00 55.95 55.32 2dnq s SER 81 Cb -0.19 -2.48 1.04 0.00 0.21 0.00 0.00 66.02 64.61 2dnq s SER 81 CO 0.25 -0.98 1.92 0.77 0.41 0.00 0.00 173.24 175.61 2dnq h SER 82 N 7.66 0.40 0.00 2.44 4.64 -2.06 -3.56 113.55 123.06 2dnq h SER 82 Ca 0.34 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2dnq h SER 82 Cb 0.90 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2dnq h SER 82 CO 1.32 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 178.10