#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhq s ILE 4 N 0.00 5.43 -0.08 1.47 1.01 -1.26 -1.85 121.20 125.92 2dhq s ILE 4 Ca 0.00 0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.95 2dhq s ILE 4 Cb 0.00 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2dhq s ILE 4 CO 0.00 0.55 -0.20 -0.69 0.00 0.00 0.00 174.94 174.59 2dhq s VAL 5 N -0.50 1.76 -0.10 2.92 1.01 0.39 -4.27 120.40 121.61 2dhq s VAL 5 Ca 0.13 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2dhq s VAL 5 Cb -0.12 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2dhq s VAL 5 CO 0.03 0.49 0.56 0.20 0.00 0.00 0.00 175.10 176.38 2dhq s ASN 6 N 0.36 6.79 -0.26 3.32 0.01 -0.75 -1.24 114.94 123.17 2dhq s ASN 6 Ca -0.15 0.95 -0.04 0.00 -0.71 0.00 0.00 52.86 52.90 2dhq s ASN 6 Cb -0.17 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.17 2dhq s ASN 6 CO 0.07 -0.05 0.00 -0.69 -1.51 0.00 0.00 177.10 174.92 2dhq s VAL 7 N 0.71 3.43 -0.20 1.60 1.01 0.15 -0.37 120.40 126.73 2dhq s VAL 7 Ca 0.30 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2dhq s VAL 7 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.51 2dhq s VAL 7 CO 0.13 0.18 -0.14 -0.63 0.00 0.00 0.00 175.10 174.64 2dhq s ILE 8 N 1.42 2.50 -0.12 2.22 1.01 -0.45 -0.61 121.20 127.17 2dhq s ILE 8 Ca 0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 2dhq s ILE 8 Cb -0.16 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 2dhq s ILE 8 CO -0.01 0.47 -0.02 0.20 0.00 0.00 0.00 174.94 175.57 2dhq s ASN 9 N 1.34 4.96 0.00 3.58 0.01 -0.17 -1.11 114.94 123.56 2dhq s ASN 9 Ca 0.05 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 2dhq s ASN 9 Cb -0.14 -1.59 0.00 0.00 0.41 0.00 0.00 41.25 39.93 2dhq s ASN 9 CO -0.09 0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.37 2dhq n GLY 10 N 2.88 1.57 3.70 0.66 0.00 0.60 -1.60 105.19 112.99 2dhq n GLY 10 Ca -0.18 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 2dhq n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dhq n PRO 11 N 0.00 2.00 -0.38 1.61 -0.02 -1.13 -2.29 135.00 134.78 2dhq n PRO 11 Ca 0.00 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2dhq n PRO 11 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 2dhq n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2dhq n ASN 12 N 0.47 0.00 0.03 2.55 3.02 -1.26 -4.51 115.26 115.56 2dhq n ASN 12 Ca 0.06 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.73 2dhq n ASN 12 Cb 0.38 -0.58 0.50 0.00 -0.61 0.00 0.00 39.78 39.47 2dhq n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2dhq n LEU 13 N 0.00 0.21 0.00 3.41 4.77 -0.97 -1.65 117.00 122.77 2dhq n LEU 13 Ca 0.00 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 2dhq n LEU 13 Cb 0.00 -0.47 0.61 0.00 -2.33 0.00 0.00 43.42 41.23 2dhq n LEU 13 CO 0.00 -0.14 0.92 0.61 -1.33 0.00 0.00 177.39 177.46 2dhq n GLY 14 N 1.00 -1.23 0.81 -0.72 0.00 -1.26 -2.62 105.19 101.17 2dhq n GLY 14 Ca 0.06 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.08 2dhq n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhq n ARG 15 N -1.37 2.07 -1.61 1.61 5.12 -0.66 -4.68 116.66 117.15 2dhq n ARG 15 Ca 0.10 -1.61 -0.44 0.00 -1.93 0.00 0.00 57.85 53.97 2dhq n ARG 15 Cb 0.24 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 2dhq n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2dhq n LEU 16 N 0.84 2.15 0.00 0.55 4.77 -1.08 -1.82 117.00 122.42 2dhq n LEU 16 Ca 0.17 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.33 2dhq n LEU 16 Cb 0.45 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 2dhq n LEU 16 CO 0.14 -1.19 0.00 0.61 -1.33 0.00 0.00 177.39 175.62 2dhq n GLY 17 N 1.20 3.01 3.38 -0.72 0.00 -1.01 -4.05 105.19 107.01 2dhq n GLY 17 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2dhq n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dhq s ARG 18 N -0.19 3.14 -0.85 1.61 3.00 -0.75 -4.59 118.95 120.32 2dhq s ARG 18 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 55.73 54.76 2dhq s ARG 18 Cb 0.00 -3.49 -0.25 0.00 0.00 0.00 0.00 34.95 31.21 2dhq s ARG 18 CO 0.00 -0.47 2.11 2.89 0.00 0.00 0.00 175.30 179.83 2dhq n ARG 19 N 4.92 0.15 -2.82 3.54 0.00 -1.26 -4.95 116.66 116.25 2dhq n ARG 19 Ca -0.14 -0.31 -0.07 0.00 -0.00 0.00 0.00 57.85 57.33 2dhq n ARG 19 Cb 0.48 -1.86 0.01 0.00 -0.00 0.00 0.00 32.46 31.09 2dhq n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dhq n GLY 25 N 5.79 -1.51 0.87 2.89 0.00 -1.26 -5.14 105.19 106.82 2dhq n GLY 25 Ca 0.55 1.19 0.08 0.00 0.00 0.00 0.00 46.02 47.83 2dhq n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhq n GLY 26 N -0.24 2.64 3.73 -0.02 0.00 -1.26 -4.21 105.19 105.83 2dhq n GLY 26 Ca 0.11 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 2dhq n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dhq s THR 27 N -1.00 3.63 0.61 2.61 2.01 -1.26 -4.75 115.64 117.49 2dhq s THR 27 Ca 0.31 1.30 0.02 0.00 0.31 0.00 0.00 61.69 63.64 2dhq s THR 27 Cb 0.16 -3.83 0.07 0.00 0.01 0.00 0.00 72.50 68.92 2dhq s THR 27 CO 0.21 0.17 0.84 0.42 -0.69 0.00 0.00 174.62 175.58 2dhq s THR 28 N 0.33 2.41 0.14 -0.82 -4.23 -1.26 -2.39 115.64 109.83 2dhq s THR 28 Ca 0.56 -0.72 -0.11 0.00 -1.18 0.00 0.00 61.69 60.24 2dhq s THR 28 Cb -0.32 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 2dhq s THR 28 CO 0.34 0.00 1.47 -0.74 -0.54 0.00 0.00 174.62 175.15 2dhq h HIS 29 N -0.09 1.13 -0.90 3.99 6.17 -1.84 -0.75 115.15 122.87 2dhq h HIS 29 Ca -0.38 -0.35 0.02 0.00 0.71 0.00 0.00 60.37 60.37 2dhq h HIS 29 Cb 1.28 -0.24 -0.05 0.00 2.52 0.00 0.00 27.41 30.93 2dhq h HIS 29 CO 0.17 1.18 0.59 -0.44 0.71 0.00 0.00 177.93 180.14 2dhq h ASP 30 N 0.76 1.02 -0.75 3.26 3.32 -1.94 -0.38 116.42 121.70 2dhq h ASP 30 Ca 0.06 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2dhq h ASP 30 Cb 1.00 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 2dhq h ASP 30 CO 0.10 0.73 0.29 -0.33 -1.72 0.00 0.00 179.24 178.30 2dhq h GLU 31 N 1.20 1.13 -0.43 3.56 5.08 -1.92 -1.90 114.58 121.31 2dhq h GLU 31 Ca 0.34 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2dhq h GLU 31 Cb -0.10 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 2dhq h GLU 31 CO -0.08 0.93 0.21 1.25 -1.00 0.00 0.00 179.01 180.32 2dhq h LEU 32 N 1.09 0.55 -0.37 1.33 5.85 -0.44 0.83 115.31 124.16 2dhq h LEU 32 Ca 0.25 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2dhq h LEU 32 Cb 0.24 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2dhq h LEU 32 CO -0.02 0.52 0.11 0.58 -0.34 0.00 0.00 178.44 179.29 2dhq h VAL 33 N 0.55 0.87 -0.39 1.05 2.07 -0.78 -0.83 116.25 118.79 2dhq h VAL 33 Ca 0.15 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 2dhq h VAL 33 Cb 0.11 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2dhq h VAL 33 CO -0.02 0.05 0.23 0.00 0.02 0.00 0.00 177.57 177.85 2dhq h ALA 34 N 1.25 0.50 -0.28 1.67 0.00 -0.87 -0.64 119.26 120.90 2dhq h ALA 34 Ca 0.17 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2dhq h ALA 34 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2dhq h ALA 34 CO -0.19 0.00 0.07 -0.07 0.00 0.00 0.00 179.25 179.06 2dhq h LEU 35 N 0.51 0.05 -0.08 0.00 3.38 -0.63 -1.27 115.31 117.28 2dhq h LEU 35 Ca 0.14 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2dhq h LEU 35 Cb 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2dhq h LEU 35 CO -0.03 0.06 0.04 0.40 0.09 0.00 0.00 178.44 179.01 2dhq h ILE 36 N 0.18 1.07 -0.98 1.22 2.04 -0.88 -1.75 117.51 118.41 2dhq h ILE 36 Ca 0.13 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2dhq h ILE 36 Cb 0.12 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2dhq h ILE 36 CO -0.15 0.06 0.64 -0.33 0.00 0.00 0.00 178.15 178.37 2dhq h GLU 37 N 0.05 1.21 -0.30 2.37 5.08 -0.98 0.99 114.58 123.01 2dhq h GLU 37 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2dhq h GLU 37 Cb 0.05 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2dhq h GLU 37 CO -0.00 0.80 0.11 -0.09 -1.00 0.00 0.00 179.01 178.82 2dhq h ARG 38 N 1.25 0.45 -0.42 2.33 2.43 -1.11 -1.72 114.38 117.58 2dhq h ARG 38 Ca 0.38 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2dhq h ARG 38 Cb -0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2dhq h ARG 38 CO -0.12 0.49 0.20 1.49 -1.51 0.00 0.00 179.97 180.52 2dhq h GLU 39 N 0.32 0.62 -0.77 0.20 4.57 -1.09 -2.35 114.58 116.08 2dhq h GLU 39 Ca 0.10 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2dhq h GLU 39 Cb 0.21 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 2dhq h GLU 39 CO -0.01 0.54 0.49 0.00 -1.18 0.00 0.00 179.01 178.85 2dhq h ALA 40 N 1.04 1.01 -0.75 2.92 0.00 -0.65 -2.01 119.26 120.83 2dhq h ALA 40 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2dhq h ALA 40 Cb 0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2dhq h ALA 40 CO -0.02 0.29 0.34 0.00 0.00 0.00 0.00 179.25 179.87 2dhq h ALA 41 N 1.32 0.97 -0.51 0.00 0.00 -1.05 -0.24 119.26 119.76 2dhq h ALA 41 Ca 0.31 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2dhq h ALA 41 Cb 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2dhq h ALA 41 CO -0.11 0.56 0.34 1.49 0.00 0.00 0.00 179.25 181.52 2dhq h GLU 42 N 1.07 0.56 -0.01 0.00 4.81 -0.97 -1.60 114.58 118.45 2dhq h GLU 42 Ca 0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2dhq h GLU 42 Cb 0.15 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2dhq h GLU 42 CO -0.03 0.37 -0.20 1.28 -0.73 0.00 0.00 179.01 179.70 2dhq n LEU 43 N -4.47 0.71 0.00 1.64 4.77 -0.69 -4.94 117.00 114.02 2dhq n LEU 43 Ca 0.06 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2dhq n LEU 43 Cb 0.14 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2dhq n LEU 43 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2dhq n GLY 44 N 1.33 0.53 3.63 -0.72 0.00 -0.60 -5.01 105.19 104.35 2dhq n GLY 44 Ca 0.12 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 2dhq n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dhq s LEU 45 N 0.00 2.96 -0.18 0.99 1.43 -0.20 -4.39 118.68 119.29 2dhq s LEU 45 Ca 0.00 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 2dhq s LEU 45 Cb 0.00 -1.29 -0.00 0.00 0.03 0.00 0.00 46.19 44.93 2dhq s LEU 45 CO 0.00 -0.28 -0.13 -0.75 0.23 0.00 0.00 176.35 175.42 2dhq s LYS 46 N -3.72 3.24 -0.17 1.70 2.20 -0.77 -3.78 119.74 118.43 2dhq s LYS 46 Ca 0.35 -0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 55.17 2dhq s LYS 46 Cb 0.01 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.56 2dhq s LYS 46 CO 0.19 -0.07 0.05 0.00 -0.36 0.00 0.00 175.35 175.16 2dhq s ALA 47 N 1.06 3.37 -0.32 3.13 0.00 -1.26 -0.47 121.76 127.27 2dhq s ALA 47 Ca -0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 2dhq s ALA 47 Cb -0.15 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.16 2dhq s ALA 47 CO -0.03 0.23 0.09 0.08 0.00 0.00 0.00 175.76 176.14 2dhq s VAL 48 N 0.22 3.87 -0.23 0.00 1.01 -0.37 -4.89 120.40 120.00 2dhq s VAL 48 Ca 0.03 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.99 2dhq s VAL 48 Cb -0.12 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2dhq s VAL 48 CO 0.01 -0.07 0.09 -0.69 0.00 0.00 0.00 175.10 174.44 2dhq s VAL 49 N 1.45 4.71 0.09 2.92 1.01 -1.26 -0.67 120.40 128.65 2dhq s VAL 49 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2dhq s VAL 49 Cb -0.18 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2dhq s VAL 49 CO 0.03 0.37 -0.10 -0.13 0.00 0.00 0.00 175.10 175.27 2dhq s ARG 50 N 1.10 0.83 -0.01 2.72 0.52 0.22 -4.98 118.95 119.35 2dhq s ARG 50 Ca 0.05 -1.12 -0.01 0.00 -0.52 0.00 0.00 55.73 54.13 2dhq s ARG 50 Cb -0.14 -0.55 0.00 0.00 0.52 0.00 0.00 34.95 34.79 2dhq s ARG 50 CO 0.04 0.09 0.02 -1.14 0.02 0.00 0.00 175.30 174.32 2dhq s GLN 51 N -2.65 0.02 -0.06 3.54 -0.44 -1.26 -1.00 119.66 117.81 2dhq s GLN 51 Ca 0.04 0.03 -0.17 0.00 -2.50 0.00 0.00 55.36 52.76 2dhq s GLN 51 Cb -0.04 0.01 0.03 0.00 -1.64 0.00 0.00 33.01 31.38 2dhq s GLN 51 CO 0.00 -0.00 0.39 0.45 0.50 0.00 0.00 175.29 176.63 2dhq s SER 52 N 0.02 -0.33 0.00 6.67 0.15 -0.63 -4.98 113.70 114.60 2dhq s SER 52 Ca -0.00 0.39 0.26 0.00 0.70 0.00 0.00 55.95 57.31 2dhq s SER 52 Cb -0.00 0.50 0.76 0.00 -1.71 0.00 0.00 66.02 65.57 2dhq s SER 52 CO 0.00 -0.38 1.57 0.47 1.20 0.00 0.00 173.24 176.10 2dhq n ASP 53 N 1.69 0.90 -4.64 5.45 8.00 -1.26 -2.82 116.55 123.88 2dhq n ASP 53 Ca -0.19 -0.77 -0.39 0.00 0.71 0.00 0.00 54.79 54.16 2dhq n ASP 53 Cb 0.56 0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.72 2dhq n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2dhq s SER 54 N -2.57 6.38 0.26 -2.24 0.15 -1.26 -4.68 113.70 109.73 2dhq s SER 54 Ca 0.23 0.44 -0.05 0.00 0.70 0.00 0.00 55.95 57.27 2dhq s SER 54 Cb 0.19 -2.24 0.29 0.00 -1.71 0.00 0.00 66.02 62.56 2dhq s SER 54 CO 0.54 -0.16 1.91 -0.08 1.20 0.00 0.00 173.24 176.65 2dhq h GLU 55 N 7.77 1.23 -0.81 5.44 4.81 -2.00 -2.19 114.58 128.83 2dhq h GLU 55 Ca -0.33 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 2dhq h GLU 55 Cb 1.16 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 2dhq h GLU 55 CO 0.69 0.85 0.39 0.00 -0.73 0.00 0.00 179.01 180.21 2dhq h ALA 56 N 1.36 1.16 -0.48 2.92 0.00 -2.00 -1.48 119.26 120.74 2dhq h ALA 56 Ca 0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2dhq h ALA 56 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2dhq h ALA 56 CO -0.06 0.64 0.12 0.37 0.00 0.00 0.00 179.25 180.31 2dhq h GLN 57 N 1.15 0.76 -0.47 0.00 4.15 -1.88 -1.69 115.11 117.13 2dhq h GLN 57 Ca 0.28 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.54 2dhq h GLN 57 Cb 0.11 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 2dhq h GLN 57 CO -0.04 0.74 0.27 -0.07 -1.93 0.00 0.00 178.83 177.81 2dhq h LEU 58 N 0.64 0.43 -1.04 -2.39 3.38 -1.11 -1.85 115.31 113.38 2dhq h LEU 58 Ca 0.15 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2dhq h LEU 58 Cb 0.32 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2dhq h LEU 58 CO 0.00 0.31 0.65 -0.07 0.09 0.00 0.00 178.44 179.42 2dhq h LEU 59 N 0.55 1.09 -0.35 1.67 3.38 -1.07 -1.47 115.31 119.11 2dhq h LEU 59 Ca 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2dhq h LEU 59 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2dhq h LEU 59 CO -0.10 0.76 0.18 -0.78 0.09 0.00 0.00 178.44 178.60 2dhq h ASP 60 N 1.27 0.44 -0.71 -0.43 3.58 -0.99 0.15 116.42 119.73 2dhq h ASP 60 Ca 0.38 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 2dhq h ASP 60 Cb -0.05 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 2dhq h ASP 60 CO -0.11 0.42 0.36 -0.50 -2.88 0.00 0.00 179.24 176.53 2dhq h TRP 61 N 0.44 1.03 -0.28 0.28 6.55 -0.96 -1.82 115.95 121.18 2dhq h TRP 61 Ca 0.12 -0.04 -0.10 0.00 0.95 0.00 0.00 58.89 59.83 2dhq h TRP 61 Cb 0.08 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.05 2dhq h TRP 61 CO -0.02 0.74 -0.21 0.82 -1.05 0.00 0.00 178.44 178.72 2dhq h ILE 62 N 1.03 1.30 -0.91 1.49 1.08 -0.95 -1.66 117.51 118.89 2dhq h ILE 62 Ca 0.25 -1.35 0.07 0.00 -0.39 0.00 0.00 64.86 63.44 2dhq h ILE 62 Cb 0.09 1.55 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 2dhq h ILE 62 CO -0.03 0.43 0.57 0.45 -0.69 0.00 0.00 178.15 178.88 2dhq h HIS 63 N 0.38 1.06 -0.34 1.37 3.86 -0.38 -0.18 115.15 120.91 2dhq h HIS 63 Ca 0.05 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.21 2dhq h HIS 63 Cb 0.76 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2dhq h HIS 63 CO 0.07 0.53 -0.15 1.96 0.86 0.00 0.00 177.93 181.20 2dhq h GLN 64 N 1.03 0.60 -0.56 2.45 4.20 -1.11 -1.67 115.11 120.05 2dhq h GLN 64 Ca 0.40 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 2dhq h GLN 64 Cb 0.19 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2dhq h GLN 64 CO -0.18 0.73 -0.06 0.00 -0.67 0.00 0.00 178.83 178.65 2dhq h ALA 65 N 1.29 0.82 -0.48 3.87 0.00 -0.94 -1.57 119.26 122.26 2dhq h ALA 65 Ca 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2dhq h ALA 65 Cb 0.57 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2dhq h ALA 65 CO 0.04 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.15 2dhq h ALA 66 N 0.99 0.63 -0.18 0.00 0.00 -0.75 -0.99 119.26 118.96 2dhq h ALA 66 Ca 0.15 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2dhq h ALA 66 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2dhq h ALA 66 CO 0.04 0.23 -0.30 -0.44 0.00 0.00 0.00 179.25 178.78 2dhq h ASP 67 N 0.64 0.35 0.08 0.00 3.32 -1.09 -2.85 116.42 116.86 2dhq h ASP 67 Ca 0.16 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2dhq h ASP 67 Cb 0.19 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2dhq h ASP 67 CO -0.01 0.65 -0.07 0.00 -1.72 0.00 0.00 179.24 178.08 2dhq n ALA 68 N -2.48 2.72 -3.20 3.45 0.00 -0.61 -4.95 120.51 115.44 2dhq n ALA 68 Ca -0.01 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 2dhq n ALA 68 Cb 0.42 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.71 2dhq n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhq n ALA 69 N -0.22 -1.06 -2.82 0.00 0.00 -0.47 -4.99 120.51 110.96 2dhq n ALA 69 Ca 0.17 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 2dhq n ALA 69 Cb 0.33 -4.15 -0.05 0.00 0.00 0.00 0.00 19.45 15.57 2dhq n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2dhq s GLU 70 N -5.89 3.52 0.72 0.00 2.02 -0.66 -4.63 118.70 113.78 2dhq s GLU 70 Ca 0.38 -0.21 -0.14 0.00 0.02 0.00 0.00 54.97 55.03 2dhq s GLU 70 Cb -0.17 -3.04 0.03 0.00 0.10 0.00 0.00 34.13 31.05 2dhq s GLU 70 CO 0.47 0.62 1.13 -2.14 0.02 0.00 0.00 175.26 175.36 2dhq s PRO 71 N -2.07 2.39 -0.02 0.39 0.02 -1.26 -4.62 135.00 129.83 2dhq s PRO 71 Ca 0.31 1.43 0.02 0.00 0.02 0.00 0.00 61.00 62.77 2dhq s PRO 71 Cb -0.13 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.50 2dhq s PRO 71 CO 0.20 -1.57 -0.06 0.08 -0.33 0.00 0.00 177.00 175.32 2dhq s VAL 72 N -2.42 0.54 -0.28 3.83 1.01 -0.59 -1.80 120.40 120.68 2dhq s VAL 72 Ca 0.67 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 2dhq s VAL 72 Cb -0.22 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.67 2dhq s VAL 72 CO 0.47 0.19 0.04 -0.63 0.00 0.00 0.00 175.10 175.17 2dhq s ILE 73 N 0.39 3.65 -0.09 2.22 1.01 0.51 -1.42 121.20 127.45 2dhq s ILE 73 Ca -0.05 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.84 2dhq s ILE 73 Cb -0.09 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 2dhq s ILE 73 CO 0.00 0.10 -0.23 -0.22 0.00 0.00 0.00 174.94 174.59 2dhq s LEU 74 N 1.44 2.15 -0.33 2.97 2.96 -0.01 -1.34 118.68 126.53 2dhq s LEU 74 Ca 0.02 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 2dhq s LEU 74 Cb -0.17 -1.42 0.10 0.00 0.50 0.00 0.00 46.19 45.20 2dhq s LEU 74 CO 0.01 0.19 0.05 0.21 -1.32 0.00 0.00 176.35 175.48 2dhq s ASN 75 N 0.18 4.66 0.00 3.68 3.84 -0.27 -0.96 114.94 126.08 2dhq s ASN 75 Ca -0.14 -2.06 0.19 0.00 0.21 0.00 0.00 52.86 51.07 2dhq s ASN 75 Cb -0.17 -1.54 0.78 0.00 -0.55 0.00 0.00 41.25 39.78 2dhq s ASN 75 CO 0.07 -0.38 1.55 0.00 -2.79 0.00 0.00 177.10 175.56 2dhq n ALA 76 N 4.33 2.53 -0.90 1.71 0.00 -1.26 -0.29 120.51 126.63 2dhq n ALA 76 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2dhq n ALA 76 Cb 0.42 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2dhq n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dhq n GLY 77 N 1.05 2.58 0.30 0.00 0.00 -1.26 -2.44 105.19 105.41 2dhq n GLY 77 Ca 0.15 -0.44 0.19 0.00 0.00 0.00 0.00 46.02 45.92 2dhq n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dhq h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.96 -2.15 103.07 100.94 2dhq h GLY 78 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2dhq h GLY 78 CO 0.00 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.91 2dhq h LEU 79 N 0.00 0.00 -0.85 3.11 3.38 -1.86 -2.68 115.31 116.41 2dhq h LEU 79 Ca -0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2dhq h LEU 79 Cb 0.27 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 2dhq h LEU 79 CO 0.00 0.04 0.40 0.74 0.09 0.00 0.00 178.44 179.71 2dhq h THR 80 N 0.00 0.64 0.00 0.22 2.02 -1.50 -1.29 112.91 112.99 2dhq h THR 80 Ca -0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2dhq h THR 80 Cb 0.46 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2dhq h THR 80 CO 0.01 0.10 -0.39 1.41 0.37 0.00 0.00 175.52 177.01 2dhq n HIS 81 N -4.95 0.43 0.00 3.16 8.25 -1.01 -1.56 115.22 119.54 2dhq n HIS 81 Ca 0.18 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2dhq n HIS 81 Cb 0.50 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 31.01 2dhq n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2dhq n THR 82 N -1.92 0.00 -3.39 1.59 -2.24 -0.85 -4.78 114.28 102.69 2dhq n THR 82 Ca 0.05 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 2dhq n THR 82 Cb 0.40 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 2dhq n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2dhq s SER 83 N -1.71 6.15 0.24 3.42 0.15 -0.55 -4.89 113.70 116.51 2dhq s SER 83 Ca 0.00 -0.83 0.05 0.00 0.70 0.00 0.00 55.95 55.87 2dhq s SER 83 Cb 0.00 -2.19 0.25 0.00 -1.71 0.00 0.00 66.02 62.37 2dhq s SER 83 CO 0.00 -0.53 1.56 0.58 1.20 0.00 0.00 173.24 176.05 2dhq h VAL 84 N 5.69 1.39 -0.75 4.45 2.07 -1.96 -2.97 116.25 124.17 2dhq h VAL 84 Ca -0.27 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.21 2dhq h VAL 84 Cb 1.11 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2dhq h VAL 84 CO 0.77 0.59 0.35 0.00 0.02 0.00 0.00 177.57 179.30 2dhq h ALA 85 N 1.20 1.20 -0.27 1.67 0.00 -1.99 0.50 119.26 121.57 2dhq h ALA 85 Ca -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2dhq h ALA 85 Cb 1.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2dhq h ALA 85 CO 0.09 0.61 -0.03 1.25 0.00 0.00 0.00 179.25 181.17 2dhq h LEU 86 N 1.07 0.49 -0.40 0.00 5.85 -1.94 -1.77 115.31 118.61 2dhq h LEU 86 Ca 0.26 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2dhq h LEU 86 Cb 0.13 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2dhq h LEU 86 CO -0.03 0.71 0.10 -0.09 -0.34 0.00 0.00 178.44 178.79 2dhq h ARG 87 N 0.26 0.23 -0.02 1.25 2.43 -1.31 -1.27 114.38 115.95 2dhq h ARG 87 Ca 0.07 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2dhq h ARG 87 Cb 0.48 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2dhq h ARG 87 CO 0.02 0.16 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.04 2dhq h ASP 88 N 0.24 0.03 -0.22 -3.80 3.32 -0.60 0.60 116.42 115.99 2dhq h ASP 88 Ca 0.19 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 2dhq h ASP 88 Cb 0.21 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2dhq h ASP 88 CO -0.23 0.20 -0.33 0.00 -1.72 0.00 0.00 179.24 177.16 2dhq h ALA 89 N 1.81 0.33 0.00 3.45 0.00 -0.94 -3.02 119.26 120.89 2dhq h ALA 89 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2dhq h ALA 89 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2dhq h ALA 89 CO 0.02 0.37 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 2dhq h ALA 91 N 1.82 1.00 0.00 0.00 0.00 -0.76 -1.94 119.26 119.38 2dhq h ALA 91 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dhq h ALA 91 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2dhq h ALA 91 CO 0.02 0.00 -0.29 0.93 0.00 0.00 0.00 179.25 179.92 2dhq h GLU 92 N 0.00 0.00 -7.02 0.00 5.08 -1.57 -3.47 114.58 107.61 2dhq h GLU 92 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2dhq h GLU 92 Cb 0.16 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.52 2dhq h GLU 92 CO 0.00 0.00 0.60 -0.51 -1.00 0.00 0.00 179.01 178.10 2dhq s LEU 93 N -4.56 3.98 -0.01 1.33 1.43 -0.73 -4.87 118.68 115.24 2dhq s LEU 93 Ca 0.08 2.69 0.11 0.00 -1.03 0.00 0.00 54.13 55.98 2dhq s LEU 93 Cb 0.12 -4.16 -0.16 0.00 0.03 0.00 0.00 46.19 42.02 2dhq s LEU 93 CO 0.66 -1.28 0.28 -1.54 0.23 0.00 0.00 176.35 174.69 2dhq n SER 94 N -0.62 2.16 -4.91 2.29 3.41 -1.26 -4.96 113.62 109.73 2dhq n SER 94 Ca 0.08 -0.12 -0.22 0.00 -0.26 0.00 0.00 58.87 58.35 2dhq n SER 94 Cb 0.45 1.42 0.05 0.00 -0.26 0.00 0.00 64.21 65.87 2dhq n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dhq s ALA 95 N -2.64 3.84 0.57 7.33 0.00 -1.26 -5.03 121.76 124.58 2dhq s ALA 95 Ca -0.03 -1.41 -0.20 0.00 0.00 0.00 0.00 51.96 50.32 2dhq s ALA 95 Cb 0.07 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 2dhq s ALA 95 CO 0.45 -0.93 1.29 -2.14 0.00 0.00 0.00 175.76 174.43 2dhq s PRO 96 N -4.87 3.01 -0.18 0.00 0.02 -1.26 -4.80 135.00 126.92 2dhq s PRO 96 Ca 0.59 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.67 2dhq s PRO 96 Cb -0.09 -2.09 0.04 0.00 0.02 0.00 0.00 34.50 32.38 2dhq s PRO 96 CO 0.40 -1.24 -0.12 -1.17 -0.33 0.00 0.00 177.00 174.54 2dhq s LEU 97 N -3.82 2.14 -0.19 -5.54 2.96 -1.26 -1.54 118.68 111.43 2dhq s LEU 97 Ca 0.75 -0.77 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 2dhq s LEU 97 Cb -0.36 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 2dhq s LEU 97 CO 0.41 -0.11 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.63 2dhq s ILE 98 N 1.40 3.32 -0.05 6.68 -1.09 -0.51 -0.29 121.20 130.66 2dhq s ILE 98 Ca 0.01 -0.53 -0.19 0.00 -2.23 0.00 0.00 60.65 57.70 2dhq s ILE 98 Cb -0.15 -2.47 -0.05 0.00 -1.58 0.00 0.00 42.46 38.21 2dhq s ILE 98 CO -0.09 0.46 0.55 -0.70 -1.23 0.00 0.00 174.94 173.93 2dhq s GLU 99 N 1.05 4.31 0.00 2.79 2.12 -0.49 -0.83 118.70 127.66 2dhq s GLU 99 Ca 0.00 0.62 0.06 0.00 0.36 0.00 0.00 54.97 56.01 2dhq s GLU 99 Cb -0.15 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 2dhq s GLU 99 CO -0.01 0.28 -0.20 0.08 -0.54 0.00 0.00 175.26 174.88 2dhq s VAL 100 N 0.15 1.56 -0.03 3.70 1.01 -0.14 -1.09 120.40 125.56 2dhq s VAL 100 Ca 0.29 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2dhq s VAL 100 Cb -0.17 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 2dhq s VAL 100 CO 0.14 0.35 -0.13 -1.00 0.00 0.00 0.00 175.10 174.47 2dhq s HIS 101 N -0.57 1.30 0.02 5.22 3.76 -0.42 -4.28 115.29 120.32 2dhq s HIS 101 Ca 0.07 -0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 54.45 2dhq s HIS 101 Cb -0.08 -0.89 -0.19 0.00 1.11 0.00 0.00 32.58 32.53 2dhq s HIS 101 CO 0.00 -0.12 1.20 0.82 -0.85 0.00 0.00 174.74 175.79 2dhq h ILE 102 N 5.27 1.40 -1.87 0.60 2.04 -1.87 -2.56 117.51 120.52 2dhq h ILE 102 Ca -0.33 -1.81 -0.43 0.00 1.00 0.00 0.00 64.86 63.29 2dhq h ILE 102 Cb 1.17 2.29 0.03 0.00 -0.74 0.00 0.00 36.82 39.57 2dhq h ILE 102 CO 0.48 0.53 -0.18 -0.94 0.00 0.00 0.00 178.15 178.04 2dhq s SER 103 N -6.56 5.54 -0.61 1.72 1.04 -1.26 -1.34 113.70 112.24 2dhq s SER 103 Ca -0.13 -0.25 -0.27 0.00 0.48 0.00 0.00 55.95 55.78 2dhq s SER 103 Cb 0.05 -0.78 0.03 0.00 0.10 0.00 0.00 66.02 65.42 2dhq s SER 103 CO 0.80 -0.88 1.14 0.21 0.98 0.00 0.00 173.24 175.50 2dhq s ASN 104 N -4.37 6.36 0.56 7.02 3.84 -1.26 -2.26 114.94 124.84 2dhq s ASN 104 Ca 0.55 -0.14 0.34 0.00 0.21 0.00 0.00 52.86 53.82 2dhq s ASN 104 Cb -0.10 -2.52 1.56 0.00 -0.55 0.00 0.00 41.25 39.63 2dhq s ASN 104 CO 0.35 -1.49 2.06 0.58 -2.79 0.00 0.00 177.10 175.81 2dhq h VAL 105 N 6.10 0.13 -0.00 -5.21 2.07 -1.93 -2.26 116.25 115.15 2dhq h VAL 105 Ca -0.26 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2dhq h VAL 105 Cb 1.06 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2dhq h VAL 105 CO 1.18 0.04 -0.03 1.41 0.02 0.00 0.00 177.57 180.19 2dhq n HIS 106 N -3.19 0.00 -0.18 1.57 8.25 -1.26 -3.30 115.22 117.11 2dhq n HIS 106 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 2dhq n HIS 106 Cb 0.26 -0.39 0.27 0.00 1.12 0.00 0.00 29.99 31.25 2dhq n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dhq n ALA 107 N -1.39 2.36 -2.75 -1.41 0.00 -0.85 -4.97 120.51 111.51 2dhq n ALA 107 Ca 0.10 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2dhq n ALA 107 Cb 0.30 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2dhq n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dhq n ARG 108 N 1.47 3.12 -2.07 0.00 1.74 -1.21 -5.09 116.66 114.62 2dhq n ARG 108 Ca 0.21 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.95 2dhq n ARG 108 Cb 0.59 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.05 2dhq n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dhq s GLU 109 N 4.70 3.12 0.45 5.56 8.01 -1.26 -4.91 118.70 134.36 2dhq s GLU 109 Ca 0.00 1.58 0.11 0.00 0.01 0.00 0.00 54.97 56.67 2dhq s GLU 109 Cb 0.00 -1.98 1.01 0.00 -4.31 0.00 0.00 34.13 28.86 2dhq s GLU 109 CO 0.00 -1.03 2.07 1.49 0.01 0.00 0.00 175.26 177.80 2dhq h GLU 110 N 0.79 0.36 0.00 1.61 4.81 -1.96 -1.30 114.58 118.89 2dhq h GLU 110 Ca -0.49 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 2dhq h GLU 110 Cb 1.26 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2dhq h GLU 110 CO 0.56 0.24 -0.05 0.27 -0.73 0.00 0.00 179.01 179.29 2dhq h PHE 111 N 0.37 0.00 0.00 0.92 -5.15 -1.97 -2.54 116.94 108.57 2dhq h PHE 111 Ca 0.13 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.90 2dhq h PHE 111 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.25 2dhq h PHE 111 CO -0.00 0.05 0.00 0.54 -2.00 0.00 0.00 178.31 176.90 2dhq n ARG 112 N -3.24 0.11 0.00 6.09 1.74 -0.49 -3.46 116.66 117.41 2dhq n ARG 112 Ca -0.01 0.18 0.15 0.00 -0.77 0.00 0.00 57.85 57.40 2dhq n ARG 112 Cb 0.25 -1.65 0.71 0.00 -1.02 0.00 0.00 32.46 30.75 2dhq n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2dhq n ARG 113 N -1.84 0.39 -4.33 5.56 1.74 -0.96 -4.70 116.66 112.52 2dhq n ARG 113 Ca 0.05 -0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 2dhq n ARG 113 Cb 0.32 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.13 2dhq n ARG 113 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2dhq s HIS 114 N -2.63 3.01 -0.06 -1.55 3.76 -1.22 -5.06 115.29 111.54 2dhq s HIS 114 Ca 0.26 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 2dhq s HIS 114 Cb 0.20 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.91 2dhq s HIS 114 CO 0.48 -0.11 -0.15 0.45 -0.85 0.00 0.00 174.74 174.56 2dhq s SER 115 N 0.55 1.99 0.22 1.40 0.15 -1.26 -4.35 113.70 112.40 2dhq s SER 115 Ca -0.03 -0.33 0.26 0.00 0.70 0.00 0.00 55.95 56.55 2dhq s SER 115 Cb -0.14 -0.75 0.84 0.00 -1.71 0.00 0.00 66.02 64.25 2dhq s SER 115 CO 0.03 0.09 1.77 -1.22 1.20 0.00 0.00 173.24 175.10 2dhq n TYR 116 N 3.49 0.93 -0.00 3.44 4.01 -0.60 -3.84 117.16 124.58 2dhq n TYR 116 Ca -0.20 0.28 -0.20 0.00 -0.16 0.00 0.00 57.90 57.62 2dhq n TYR 116 Cb 0.52 -0.96 -0.14 0.00 -0.31 0.00 0.00 39.34 38.45 2dhq n TYR 116 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2dhq n LEU 117 N -2.27 2.48 -0.26 7.72 4.77 -1.26 -4.50 117.00 123.68 2dhq n LEU 117 Ca 0.05 0.21 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 2dhq n LEU 117 Cb 0.40 -0.99 0.20 0.00 -2.33 0.00 0.00 43.42 40.71 2dhq n LEU 117 CO 0.29 0.82 0.97 0.28 -1.33 0.00 0.00 177.39 178.41 2dhq h SER 118 N 0.06 0.11 0.14 -1.43 0.02 -1.93 -0.95 113.55 109.57 2dhq h SER 118 Ca -0.42 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 2dhq h SER 118 Cb 2.03 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.74 2dhq h SER 118 CO 0.08 -0.01 -0.05 -0.65 -1.14 0.00 0.00 176.83 175.06 2dhq h PRO 119 N 0.32 0.00 -0.02 3.45 0.11 -1.79 -2.29 132.00 131.78 2dhq h PRO 119 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2dhq h PRO 119 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2dhq h PRO 119 CO -0.50 0.05 -0.14 0.44 -0.21 0.00 0.00 178.00 177.65 2dhq n ILE 120 N -3.79 0.00 -1.76 4.15 -5.35 -0.44 -4.99 119.36 107.19 2dhq n ILE 120 Ca -0.03 -0.43 -0.31 0.00 -0.27 0.00 0.00 62.75 61.71 2dhq n ILE 120 Cb 0.14 1.29 0.03 0.00 -1.74 0.00 0.00 39.64 39.36 2dhq n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dhq s ALA 121 N -1.62 2.84 0.07 -1.28 0.00 -0.74 -4.94 121.76 116.10 2dhq s ALA 121 Ca 0.17 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 2dhq s ALA 121 Cb 0.14 -3.15 -0.14 0.00 0.00 0.00 0.00 23.12 19.97 2dhq s ALA 121 CO 0.29 -0.95 1.31 1.15 0.00 0.00 0.00 175.76 177.55 2dhq h THR 122 N -0.38 1.33 -3.35 0.00 2.02 -0.96 -3.48 112.91 108.08 2dhq h THR 122 Ca -0.44 -1.74 -0.02 0.00 0.77 0.00 0.00 66.41 64.97 2dhq h THR 122 Cb 1.20 1.95 -0.10 0.00 -1.74 0.00 0.00 68.15 69.47 2dhq h THR 122 CO 0.59 0.54 0.01 -0.83 0.37 0.00 0.00 175.52 176.20 2dhq s GLY 123 N -3.89 0.01 -0.02 2.16 0.00 -1.19 -5.06 107.32 99.34 2dhq s GLY 123 Ca -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 44.72 44.28 2dhq s GLY 123 CO 0.85 -0.32 -0.06 0.14 0.00 0.00 0.00 173.10 173.70 2dhq s VAL 124 N -3.90 0.55 -0.09 1.40 1.01 -1.26 -1.40 120.40 116.71 2dhq s VAL 124 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2dhq s VAL 124 Cb -0.01 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.89 2dhq s VAL 124 CO -0.01 0.18 -0.07 -0.63 0.00 0.00 0.00 175.10 174.58 2dhq s ILE 125 N 0.22 0.91 0.03 2.22 1.01 -0.25 -4.97 121.20 120.38 2dhq s ILE 125 Ca -0.03 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.41 2dhq s ILE 125 Cb -0.07 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2dhq s ILE 125 CO -0.00 0.34 -0.10 -0.69 0.00 0.00 0.00 174.94 174.48 2dhq s VAL 126 N 1.49 0.80 0.00 2.92 1.01 -1.26 -1.31 120.40 124.06 2dhq s VAL 126 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2dhq s VAL 126 Cb -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2dhq s VAL 126 CO -0.05 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2dhq n GLY 127 N 2.04 0.96 1.79 4.51 0.00 -0.96 -4.83 105.19 108.71 2dhq n GLY 127 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2dhq n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dhq n LEU 128 N 0.00 5.36 0.00 0.99 4.77 -1.22 -4.68 117.00 122.21 2dhq n LEU 128 Ca 0.00 -2.74 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 2dhq n LEU 128 Cb 0.00 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2dhq n LEU 128 CO 0.00 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2dhq n GLY 129 N 0.39 0.28 0.28 -0.72 0.00 -0.45 -2.83 105.19 102.14 2dhq n GLY 129 Ca 0.28 -0.88 0.17 0.00 0.00 0.00 0.00 46.02 45.58 2dhq n GLY 129 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dhq h ILE 130 N 0.00 0.11 0.00 -0.61 5.03 -1.95 -2.12 117.51 117.96 2dhq h ILE 130 Ca 0.00 -0.52 -0.00 0.00 -0.12 0.00 0.00 64.86 64.21 2dhq h ILE 130 Cb 0.00 1.47 -0.00 0.00 -3.03 0.00 0.00 36.82 35.25 2dhq h ILE 130 CO 0.00 0.04 -0.02 -0.61 -0.68 0.00 0.00 178.15 176.88 2dhq h GLN 131 N 0.00 0.00 -1.00 2.37 4.15 -1.94 -1.55 115.11 117.13 2dhq h GLN 131 Ca -0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 2dhq h GLN 131 Cb 0.46 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.08 2dhq h GLN 131 CO 0.00 0.02 0.64 0.78 -1.93 0.00 0.00 178.83 178.34 2dhq h GLY 132 N 0.15 1.59 0.98 2.39 0.00 -1.37 -0.22 103.07 106.58 2dhq h GLY 132 Ca -0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 2dhq h GLY 132 CO 0.00 0.24 -0.09 -0.97 0.00 0.00 0.00 176.54 175.72 2dhq h TYR 133 N 1.07 0.86 -0.44 5.60 -1.99 -1.48 -2.22 116.97 118.38 2dhq h TYR 133 Ca 0.47 -0.18 -0.05 0.00 2.00 0.00 0.00 58.73 60.97 2dhq h TYR 133 Cb 0.35 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 2dhq h TYR 133 CO -0.00 0.90 0.08 -0.07 -0.00 0.00 0.00 178.16 179.06 2dhq h LEU 134 N 0.58 0.62 -0.51 3.88 3.38 -1.37 -2.30 115.31 119.59 2dhq h LEU 134 Ca 0.10 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2dhq h LEU 134 Cb 0.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2dhq h LEU 134 CO 0.04 0.64 -0.56 -0.07 0.09 0.00 0.00 178.44 178.57 2dhq h LEU 135 N 0.64 0.61 -0.74 1.67 3.38 -1.06 -1.92 115.31 117.89 2dhq h LEU 135 Ca 0.14 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2dhq h LEU 135 Cb 0.28 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2dhq h LEU 135 CO 0.00 1.04 0.40 0.00 0.09 0.00 0.00 178.44 179.97 2dhq h ALA 136 N 0.97 0.95 -0.51 1.53 0.00 -1.23 -1.49 119.26 119.48 2dhq h ALA 136 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2dhq h ALA 136 Cb 1.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2dhq h ALA 136 CO 0.11 0.47 0.30 -0.07 0.00 0.00 0.00 179.25 180.06 2dhq h LEU 137 N 1.03 0.49 -1.00 0.00 3.38 -1.18 -2.02 115.31 116.00 2dhq h LEU 137 Ca 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2dhq h LEU 137 Cb 0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2dhq h LEU 137 CO -0.04 0.35 0.20 -0.09 0.09 0.00 0.00 178.44 178.95 2dhq h ARG 138 N 0.60 0.93 -0.32 1.13 2.43 -0.92 -0.40 114.38 117.84 2dhq h ARG 138 Ca 0.20 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2dhq h ARG 138 Cb 0.02 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2dhq h ARG 138 CO -0.09 0.79 0.19 -0.92 -1.51 0.00 0.00 179.97 178.42 2dhq h TYR 139 N 0.90 0.35 -0.16 2.20 3.20 -1.00 -1.58 116.97 120.89 2dhq h TYR 139 Ca 0.20 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 2dhq h TYR 139 Cb 0.24 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2dhq h TYR 139 CO 0.02 0.21 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.39 2dhq h LEU 140 N 0.38 0.30 -0.93 2.82 3.38 -0.94 -2.86 115.31 117.46 2dhq h LEU 140 Ca 0.12 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2dhq h LEU 140 Cb -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2dhq h LEU 140 CO -0.06 0.58 -0.47 0.00 0.09 0.00 0.00 178.44 178.59 2dhq h ALA 141 N 1.44 1.10 -0.32 1.53 0.00 -0.69 -2.53 119.26 119.80 2dhq h ALA 141 Ca 0.04 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 2dhq h ALA 141 Cb 0.65 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 2dhq h ALA 141 CO 0.05 0.62 0.17 -1.91 0.00 0.00 0.00 179.25 178.17 2dhq n GLU 142 N -3.98 1.76 -0.01 0.00 4.07 -0.63 -5.10 120.64 116.75 2dhq n GLU 142 Ca -0.02 -1.12 0.00 0.00 -0.06 0.00 0.00 57.16 55.96 2dhq n GLU 142 Cb 0.51 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 30.35 2dhq n GLU 142 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79