#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqr n LYS 2 N 0.00 -0.61 -4.84 2.12 5.02 -1.26 -4.66 118.16 113.92 1uqr n LYS 2 Ca 0.00 0.32 -0.33 0.00 -2.02 0.00 0.00 58.31 56.28 1uqr n LYS 2 Cb 0.00 -0.83 -0.15 0.00 -0.02 0.00 0.00 35.03 34.03 1uqr n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1uqr s LYS 3 N -2.85 3.28 -0.02 1.97 1.02 -1.26 -1.76 119.74 120.12 1uqr s LYS 3 Ca 0.02 -0.74 0.08 0.00 0.02 0.00 0.00 55.97 55.35 1uqr s LYS 3 Cb -0.00 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 1uqr s LYS 3 CO 0.34 0.18 -0.26 0.42 -0.92 0.00 0.00 175.35 175.11 1uqr s ILE 4 N 0.42 2.04 -0.14 2.17 1.01 -0.28 -0.67 121.20 125.74 1uqr s ILE 4 Ca -0.12 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.44 1uqr s ILE 4 Cb -0.16 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.62 1uqr s ILE 4 CO 0.06 0.56 -0.20 -0.22 0.00 0.00 0.00 174.94 175.14 1uqr s LEU 5 N -0.64 2.21 -0.24 2.97 2.96 -0.25 -1.36 118.68 124.33 1uqr s LEU 5 Ca 0.10 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1uqr s LEU 5 Cb -0.10 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 1uqr s LEU 5 CO -0.01 0.10 0.15 -0.22 -1.32 0.00 0.00 176.35 175.05 1uqr s LEU 6 N 0.71 4.00 -0.06 -0.68 2.96 -0.06 -0.81 118.68 124.74 1uqr s LEU 6 Ca -0.09 0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 1uqr s LEU 6 Cb -0.16 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.45 1uqr s LEU 6 CO 0.01 0.05 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.10 1uqr s LEU 7 N 1.17 2.01 -0.04 -0.68 1.43 0.38 -1.32 118.68 121.63 1uqr s LEU 7 Ca 0.07 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1uqr s LEU 7 Cb -0.14 -1.25 -0.00 0.00 0.03 0.00 0.00 46.19 44.83 1uqr s LEU 7 CO 0.05 0.19 -0.17 0.20 0.23 0.00 0.00 176.35 176.85 1uqr s ASN 8 N 0.06 2.09 0.33 2.29 0.01 -0.42 -1.23 114.94 118.06 1uqr s ASN 8 Ca -0.08 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1uqr s ASN 8 Cb -0.14 -0.56 0.00 0.00 0.41 0.00 0.00 41.25 40.96 1uqr s ASN 8 CO 0.05 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.40 1uqr n GLY 9 N 3.12 -0.33 3.69 0.66 0.00 0.85 -2.56 105.19 110.62 1uqr n GLY 9 Ca -0.18 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1uqr n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uqr n PRO 10 N -0.41 1.90 0.00 1.61 -0.04 -1.00 -3.13 135.00 133.93 1uqr n PRO 10 Ca 0.00 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1uqr n PRO 10 Cb 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1uqr n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1uqr n ASN 11 N 0.38 0.00 0.27 3.54 3.02 -1.26 -4.46 115.26 116.75 1uqr n ASN 11 Ca 0.06 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.79 1uqr n ASN 11 Cb 0.39 -0.53 0.84 0.00 -0.61 0.00 0.00 39.78 39.86 1uqr n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1uqr h LEU 12 N 0.00 0.00 -0.95 3.41 3.38 -1.92 -0.97 115.31 118.26 1uqr h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uqr h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1uqr h LEU 12 CO 0.00 0.00 0.00 -0.55 0.09 0.00 0.00 178.44 177.98 1uqr h ASN 13 N 0.00 0.00 0.15 -0.43 -1.07 -1.88 -2.54 115.58 109.81 1uqr h ASN 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1uqr h ASN 13 Cb 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 1uqr h ASN 13 CO 0.00 0.00 -0.08 0.23 0.07 0.00 0.00 177.43 177.65 1uqr n MET 14 N -2.34 1.09 -1.62 4.14 2.81 -0.37 -4.77 117.12 116.06 1uqr n MET 14 Ca 0.01 -0.48 -0.49 0.00 -1.81 0.00 0.00 57.70 54.93 1uqr n MET 14 Cb 0.20 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.17 1uqr n MET 14 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1uqr n LEU 15 N -0.53 2.26 -0.61 4.03 4.77 -0.96 -1.39 117.00 124.57 1uqr n LEU 15 Ca 0.17 1.11 -0.08 0.00 -0.03 0.00 0.00 56.01 57.18 1uqr n LEU 15 Cb 0.29 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1uqr n LEU 15 CO 0.21 -0.76 -0.08 0.61 -1.33 0.00 0.00 177.39 176.04 1uqr n GLY 16 N 2.77 0.87 1.66 -0.72 0.00 -1.26 -4.25 105.19 104.27 1uqr n GLY 16 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1uqr n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uqr n LYS 17 N -1.35 2.70 -0.81 1.61 4.76 -0.49 -4.94 118.16 119.65 1uqr n LYS 17 Ca -0.08 -3.07 -0.31 0.00 -2.87 0.00 0.00 58.31 51.99 1uqr n LYS 17 Cb 0.44 -2.04 0.03 0.00 -1.84 0.00 0.00 35.03 31.61 1uqr n LYS 17 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1uqr n GLN 26 N -0.74 0.00 -3.16 1.97 6.02 -1.26 -5.11 117.38 115.10 1uqr n GLN 26 Ca 0.41 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 57.22 1uqr n GLN 26 Cb 1.29 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 31.75 1uqr n GLN 26 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1uqr s THR 27 N -1.61 3.32 0.18 5.09 -4.23 -1.26 -4.83 115.64 112.30 1uqr s THR 27 Ca 0.30 -1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.68 1uqr s THR 27 Cb 0.01 -3.12 0.09 0.00 1.34 0.00 0.00 72.50 70.82 1uqr s THR 27 CO 0.58 -0.05 1.78 0.25 -0.54 0.00 0.00 174.62 176.64 1uqr h LEU 28 N 0.73 0.79 -1.15 4.79 5.85 -1.78 -2.40 115.31 122.15 1uqr h LEU 28 Ca -0.42 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.22 1uqr h LEU 28 Cb 1.27 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1uqr h LEU 28 CO 0.48 0.68 0.58 -1.28 -0.34 0.00 0.00 178.44 178.56 1uqr h SER 29 N 0.84 0.96 -0.60 1.25 0.87 -1.94 -0.12 113.55 114.82 1uqr h SER 29 Ca 0.22 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1uqr h SER 29 Cb 0.08 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.77 1uqr h SER 29 CO -0.03 0.66 0.34 0.44 -0.53 0.00 0.00 176.83 177.71 1uqr h ASP 30 N 1.11 0.52 -0.24 6.23 3.32 -1.83 -0.06 116.42 125.48 1uqr h ASP 30 Ca 0.35 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 1uqr h ASP 30 Cb 0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1uqr h ASP 30 CO -0.10 0.36 -0.07 0.40 -1.72 0.00 0.00 179.24 178.11 1uqr h ILE 31 N 0.65 1.29 -0.27 0.35 2.04 -1.03 -1.33 117.51 119.21 1uqr h ILE 31 Ca 0.26 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1uqr h ILE 31 Cb 0.10 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1uqr h ILE 31 CO -0.14 0.33 0.17 -0.33 0.00 0.00 0.00 178.15 178.18 1uqr h GLU 32 N 0.20 0.33 -0.56 2.37 5.08 -0.76 -1.61 114.58 119.63 1uqr h GLU 32 Ca 0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1uqr h GLU 32 Cb 0.53 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1uqr h GLU 32 CO 0.03 0.22 0.03 1.96 -1.00 0.00 0.00 179.01 180.25 1uqr h GLN 33 N 0.34 0.93 -0.59 2.33 1.08 -1.00 -1.89 115.11 116.31 1uqr h GLN 33 Ca 0.11 -0.25 -0.10 0.00 -1.45 0.00 0.00 58.65 56.95 1uqr h GLN 33 Cb -0.01 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1uqr h GLN 33 CO -0.04 0.90 -0.03 0.45 -0.95 0.00 0.00 178.83 179.15 1uqr h HIS 34 N 0.86 1.17 -0.17 2.96 3.86 -0.99 -0.22 115.15 122.62 1uqr h HIS 34 Ca 0.17 -0.21 -0.14 0.00 -1.16 0.00 0.00 60.37 59.02 1uqr h HIS 34 Cb 0.46 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1uqr h HIS 34 CO 0.03 1.04 -0.49 -0.07 0.86 0.00 0.00 177.93 179.30 1uqr h LEU 35 N 0.96 0.49 -0.37 2.43 4.07 -1.13 -0.29 115.31 121.48 1uqr h LEU 35 Ca 0.16 -0.24 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 1uqr h LEU 35 Cb 0.60 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1uqr h LEU 35 CO 0.04 0.90 -0.09 -0.61 -1.08 0.00 0.00 178.44 177.60 1uqr h GLN 36 N 0.36 0.71 -0.15 1.13 4.15 -1.19 0.33 115.11 120.45 1uqr h GLN 36 Ca 0.02 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 59.17 1uqr h GLN 36 Cb 0.99 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 1uqr h GLN 36 CO 0.09 0.86 0.08 0.37 -1.93 0.00 0.00 178.83 178.30 1uqr h GLN 37 N 0.51 0.16 -0.42 1.69 4.15 -0.83 -1.07 115.11 119.30 1uqr h GLN 37 Ca 0.09 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.40 1uqr h GLN 37 Cb 0.60 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1uqr h GLN 37 CO 0.04 0.11 -0.15 0.77 -1.93 0.00 0.00 178.83 177.66 1uqr h SER 38 N 0.17 0.77 -0.41 -0.69 0.02 -0.97 -1.90 113.55 110.54 1uqr h SER 38 Ca 0.06 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1uqr h SER 38 Cb 0.00 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1uqr h SER 38 CO -0.03 0.93 0.17 0.00 -1.14 0.00 0.00 176.83 176.76 1uqr h ALA 39 N 1.13 0.54 -0.75 3.77 0.00 -0.66 -2.68 119.26 120.60 1uqr h ALA 39 Ca 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uqr h ALA 39 Cb 0.64 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1uqr h ALA 39 CO 0.05 0.14 0.45 1.96 0.00 0.00 0.00 179.25 181.85 1uqr h GLN 40 N 0.52 1.02 0.00 0.00 4.20 -1.03 -0.75 115.11 119.07 1uqr h GLN 40 Ca 0.14 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1uqr h GLN 40 Cb 0.19 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1uqr h GLN 40 CO -0.01 0.71 -0.01 0.00 -0.67 0.00 0.00 178.83 178.85 1uqr h ALA 41 N 1.46 1.13 -0.39 3.87 0.00 -1.00 -1.96 119.26 122.38 1uqr h ALA 41 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1uqr h ALA 41 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1uqr h ALA 41 CO -0.05 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.26 1uqr n GLN 42 N -3.29 2.50 -0.62 0.00 6.02 -0.65 -4.97 117.38 116.37 1uqr n GLN 42 Ca -0.02 -2.09 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 1uqr n GLN 42 Cb 0.12 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1uqr n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uqr n GLY 43 N 0.87 0.63 3.60 1.08 0.00 -0.74 -5.07 105.19 105.56 1uqr n GLY 43 Ca 0.14 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 1uqr n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uqr s TYR 44 N -2.00 2.70 -0.14 1.61 2.02 -0.38 -4.95 117.35 116.21 1uqr s TYR 44 Ca 0.00 -0.19 -0.05 0.00 -0.37 0.00 0.00 57.07 56.46 1uqr s TYR 44 Cb 0.00 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1uqr s TYR 44 CO 0.00 0.51 0.05 -1.21 -1.57 0.00 0.00 175.55 173.33 1uqr s GLU 45 N -2.83 3.54 -0.06 -0.62 2.02 -0.72 -3.01 118.70 117.02 1uqr s GLU 45 Ca 0.25 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.93 1uqr s GLU 45 Cb -0.09 -3.05 0.01 0.00 0.10 0.00 0.00 34.13 31.10 1uqr s GLU 45 CO 0.16 0.51 -0.10 -1.17 0.02 0.00 0.00 175.26 174.67 1uqr s LEU 46 N -0.31 1.60 0.24 1.80 0.20 -1.26 -1.13 118.68 119.83 1uqr s LEU 46 Ca 0.08 -0.25 0.08 0.00 0.69 0.00 0.00 54.13 54.73 1uqr s LEU 46 Cb -0.12 -0.72 -0.04 0.00 -0.43 0.00 0.00 46.19 44.88 1uqr s LEU 46 CO 0.02 0.02 0.07 -1.81 -0.29 0.00 0.00 176.35 174.36 1uqr s ASP 47 N 0.64 4.98 0.04 3.68 1.01 -0.46 -4.87 116.67 121.68 1uqr s ASP 47 Ca -0.12 -0.43 -0.02 0.00 0.71 0.00 0.00 52.55 52.69 1uqr s ASP 47 Cb -0.15 -1.11 -0.03 0.00 1.01 0.00 0.00 42.92 42.65 1uqr s ASP 47 CO 0.03 0.01 0.00 -0.72 0.21 0.00 0.00 175.17 174.70 1uqr s TYR 48 N -2.12 0.35 -0.12 4.23 -0.85 -1.26 -0.88 117.35 116.70 1uqr s TYR 48 Ca 0.31 -0.74 -0.25 0.00 -0.52 0.00 0.00 57.07 55.87 1uqr s TYR 48 Cb -0.08 -0.26 0.06 0.00 0.38 0.00 0.00 41.96 42.07 1uqr s TYR 48 CO 0.22 -0.31 0.61 0.12 -1.52 0.00 0.00 175.55 174.66 1uqr s PHE 49 N -2.73 -0.60 -0.03 -3.49 2.19 -0.43 -4.95 117.98 107.93 1uqr s PHE 49 Ca -0.04 1.23 -0.04 0.00 0.33 0.00 0.00 56.93 58.41 1uqr s PHE 49 Cb -0.01 0.29 0.01 0.00 -1.31 0.00 0.00 43.02 42.00 1uqr s PHE 49 CO -0.06 -0.47 0.10 -1.14 1.83 0.00 0.00 175.22 175.49 1uqr s GLN 50 N -0.59 0.20 0.17 10.12 -0.44 -1.26 -1.31 119.66 126.55 1uqr s GLN 50 Ca -0.07 -0.01 -0.20 0.00 -2.50 0.00 0.00 55.36 52.58 1uqr s GLN 50 Cb -0.03 0.09 0.05 0.00 -1.64 0.00 0.00 33.01 31.48 1uqr s GLN 50 CO 0.05 -0.04 0.53 0.00 0.50 0.00 0.00 175.29 176.34 1uqr s ALA 51 N -0.33 -1.22 -1.39 1.58 0.00 -1.06 -4.99 121.76 114.35 1uqr s ALA 51 Ca -0.04 0.10 0.18 0.00 0.00 0.00 0.00 51.96 52.21 1uqr s ALA 51 Cb -0.03 0.82 0.58 0.00 0.00 0.00 0.00 23.12 24.50 1uqr s ALA 51 CO 0.00 -0.76 1.49 0.09 0.00 0.00 0.00 175.76 176.58 1uqr n ASN 52 N -0.33 3.93 -3.99 0.00 3.02 -1.26 -2.39 115.26 114.24 1uqr n ASN 52 Ca -0.14 -2.18 -0.09 0.00 -0.03 0.00 0.00 54.58 52.15 1uqr n ASN 52 Cb 0.64 -0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 39.25 1uqr n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1uqr s GLY 53 N -1.03 0.28 0.18 7.41 0.00 -1.26 -4.73 107.32 108.18 1uqr s GLY 53 Ca 0.43 -0.75 -0.12 0.00 0.00 0.00 0.00 44.72 44.28 1uqr s GLY 53 CO 0.25 -0.85 1.81 0.83 0.00 0.00 0.00 173.10 175.14 1uqr h GLU 54 N 3.87 0.85 -0.39 2.90 5.08 -1.99 -2.29 114.58 122.61 1uqr h GLU 54 Ca -0.33 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1uqr h GLU 54 Cb 1.18 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1uqr h GLU 54 CO 0.51 0.62 0.19 1.49 -1.00 0.00 0.00 179.01 180.83 1uqr h GLU 55 N 0.83 0.38 -0.38 2.33 4.81 -1.98 0.24 114.58 120.82 1uqr h GLU 55 Ca 0.22 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1uqr h GLU 55 Cb 0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1uqr h GLU 55 CO -0.04 0.25 0.19 0.77 -0.73 0.00 0.00 179.01 179.45 1uqr h SER 56 N 0.40 0.49 -0.41 1.04 0.02 -1.97 -0.36 113.55 112.75 1uqr h SER 56 Ca 0.16 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1uqr h SER 56 Cb 0.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1uqr h SER 56 CO -0.11 0.47 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.96 1uqr h LEU 57 N 0.47 0.73 -0.61 5.07 3.38 -1.11 -2.21 115.31 121.03 1uqr h LEU 57 Ca 0.13 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1uqr h LEU 57 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1uqr h LEU 57 CO -0.02 0.87 0.12 0.40 0.09 0.00 0.00 178.44 179.90 1uqr h ILE 58 N 0.57 1.26 -0.92 1.22 2.04 -0.42 -1.51 117.51 119.75 1uqr h ILE 58 Ca 0.12 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 1uqr h ILE 58 Cb 0.50 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1uqr h ILE 58 CO 0.02 0.36 0.56 0.78 0.00 0.00 0.00 178.15 179.88 1uqr h ASN 59 N 0.91 1.10 -0.39 1.72 2.35 -0.97 -0.15 115.58 120.15 1uqr h ASN 59 Ca 0.19 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1uqr h ASN 59 Cb 0.40 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1uqr h ASN 59 CO 0.01 0.84 -0.07 -0.09 -1.65 0.00 0.00 177.43 176.47 1uqr h ARG 60 N 1.26 0.82 -0.27 0.81 9.65 -1.01 -1.08 114.38 124.56 1uqr h ARG 60 Ca 0.33 -0.25 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1uqr h ARG 60 Cb -0.06 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1uqr h ARG 60 CO -0.06 0.86 0.06 0.82 2.80 0.00 0.00 179.97 184.45 1uqr h ILE 61 N 0.75 1.22 -0.84 1.20 2.04 -0.70 -2.67 117.51 118.51 1uqr h ILE 61 Ca 0.13 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1uqr h ILE 61 Cb 0.55 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1uqr h ILE 61 CO 0.03 0.23 0.51 0.45 0.00 0.00 0.00 178.15 179.37 1uqr h HIS 62 N 0.27 1.11 0.00 1.37 3.86 -0.83 -1.65 115.15 119.28 1uqr h HIS 62 Ca 0.08 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1uqr h HIS 62 Cb 0.29 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 1uqr h HIS 62 CO 0.01 0.74 -0.03 1.96 0.86 0.00 0.00 177.93 181.47 1uqr h GLN 63 N 1.16 0.00 0.00 2.45 4.20 -0.94 -1.54 115.11 120.43 1uqr h GLN 63 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1uqr h GLN 63 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1uqr h GLN 63 CO -0.06 0.03 -0.21 0.00 -0.67 0.00 0.00 178.83 177.93 1uqr n ALA 64 N -2.19 2.79 -1.65 3.87 0.00 -0.62 -4.86 120.51 117.85 1uqr n ALA 64 Ca -0.02 -0.19 -0.50 0.00 0.00 0.00 0.00 53.44 52.73 1uqr n ALA 64 Cb 0.15 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.21 1uqr n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uqr n PHE 65 N -1.57 1.99 -1.06 0.00 -0.00 -0.58 -1.83 117.46 114.41 1uqr n PHE 65 Ca 0.06 0.39 -0.02 0.00 -0.00 0.00 0.00 57.45 57.88 1uqr n PHE 65 Cb 0.35 -2.48 -0.01 0.00 -0.00 0.00 0.00 39.48 37.34 1uqr n PHE 65 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1uqr n GLN 66 N 3.78 -1.58 0.00 -4.13 6.02 -1.26 -4.72 117.38 115.49 1uqr n GLN 66 Ca 0.19 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 1uqr n GLN 66 Cb 0.24 -4.71 0.00 0.00 1.02 0.00 0.00 30.24 26.79 1uqr n GLN 66 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1uqr n ASN 67 N -0.81 0.13 -4.20 1.08 0.23 -0.76 -5.06 115.26 105.88 1uqr n ASN 67 Ca -0.02 -0.69 -0.28 0.00 -0.53 0.00 0.00 54.58 53.05 1uqr n ASN 67 Cb 0.42 0.07 -0.16 0.00 -2.08 0.00 0.00 39.78 38.03 1uqr n ASN 67 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1uqr s THR 68 N -0.07 1.69 -0.13 5.53 2.01 -0.93 -4.74 115.64 119.02 1uqr s THR 68 Ca 0.00 -0.87 0.22 0.00 0.31 0.00 0.00 61.69 61.35 1uqr s THR 68 Cb 0.00 -1.44 -0.25 0.00 0.01 0.00 0.00 72.50 70.82 1uqr s THR 68 CO 0.00 0.48 0.64 0.47 -0.69 0.00 0.00 174.62 175.52 1uqr n ASP 69 N 2.99 0.25 -3.60 3.53 9.92 0.15 -4.94 116.55 124.85 1uqr n ASP 69 Ca -0.17 0.04 -0.15 0.00 -0.53 0.00 0.00 54.79 53.97 1uqr n ASP 69 Cb 0.53 1.56 -0.07 0.00 -0.64 0.00 0.00 41.12 42.50 1uqr n ASP 69 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1uqr s PHE 70 N -3.46 -0.68 -0.04 1.24 2.19 -1.14 -4.45 117.98 111.65 1uqr s PHE 70 Ca -0.05 1.46 0.07 0.00 0.33 0.00 0.00 56.93 58.74 1uqr s PHE 70 Cb 0.13 0.30 -0.01 0.00 -1.31 0.00 0.00 43.02 42.13 1uqr s PHE 70 CO 0.88 -0.45 -0.24 0.42 1.83 0.00 0.00 175.22 177.65 1uqr s ILE 71 N -0.33 1.91 -0.22 3.12 1.01 -0.58 -1.09 121.20 125.02 1uqr s ILE 71 Ca -0.05 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 1uqr s ILE 71 Cb -0.03 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.85 1uqr s ILE 71 CO 0.05 0.54 -0.08 -0.63 0.00 0.00 0.00 174.94 174.81 1uqr s ILE 72 N -0.35 2.88 -0.03 2.92 1.01 0.01 -1.50 121.20 126.14 1uqr s ILE 72 Ca 0.03 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1uqr s ILE 72 Cb -0.11 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 40.01 1uqr s ILE 72 CO 0.01 0.36 -0.07 -0.51 0.00 0.00 0.00 174.94 174.73 1uqr s ILE 73 N 1.37 0.68 -0.41 2.92 2.07 -0.39 -0.47 121.20 126.98 1uqr s ILE 73 Ca 0.03 -0.26 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 1uqr s ILE 73 Cb -0.15 -0.64 0.11 0.00 0.13 0.00 0.00 42.46 41.92 1uqr s ILE 73 CO -0.06 0.23 0.17 0.21 -1.91 0.00 0.00 174.94 173.58 1uqr s ASN 74 N 0.48 4.96 0.00 4.50 3.84 -0.37 -1.29 114.94 127.07 1uqr s ASN 74 Ca -0.07 -2.26 0.20 0.00 0.21 0.00 0.00 52.86 50.94 1uqr s ASN 74 Cb -0.11 -1.73 1.06 0.00 -0.55 0.00 0.00 41.25 39.92 1uqr s ASN 74 CO 0.01 -0.43 1.63 -2.65 -2.79 0.00 0.00 177.10 172.87 1uqr n PRO 75 N 4.20 0.37 0.00 0.43 -0.02 -1.26 -0.10 135.00 138.62 1uqr n PRO 75 Ca 0.02 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1uqr n PRO 75 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1uqr n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uqr n GLY 76 N 0.39 1.79 0.38 -1.23 0.00 -1.26 -2.12 105.19 103.14 1uqr n GLY 76 Ca 0.11 -0.53 0.21 0.00 0.00 0.00 0.00 46.02 45.80 1uqr n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 77 N -0.94 2.39 0.00 4.61 0.00 -1.94 -0.64 119.26 122.74 1uqr h ALA 77 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uqr h ALA 77 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1uqr h ALA 77 CO 0.00 -0.65 0.00 0.74 0.00 0.00 0.00 179.25 179.34 1uqr h PHE 78 N 0.00 0.00 -0.89 0.00 0.04 -1.80 -1.77 116.94 112.52 1uqr h PHE 78 Ca 0.24 0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.11 1uqr h PHE 78 Cb 1.03 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.11 1uqr h PHE 78 CO 0.00 0.00 0.58 1.15 -0.60 0.00 0.00 178.31 179.44 1uqr h THR 79 N 0.00 0.96 0.00 -1.55 2.02 -1.22 -0.68 112.91 112.44 1uqr h THR 79 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1uqr h THR 79 Cb 0.15 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1uqr h THR 79 CO 0.00 0.16 -0.76 1.41 0.37 0.00 0.00 175.52 176.70 1uqr n HIS 80 N -4.53 0.09 0.00 3.16 8.25 -0.67 -0.89 115.22 120.63 1uqr n HIS 80 Ca 0.15 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1uqr n HIS 80 Cb 0.32 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1uqr n HIS 80 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1uqr n THR 81 N -1.65 0.00 -3.07 1.59 -2.24 -1.02 -4.85 114.28 103.04 1uqr n THR 81 Ca 0.04 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.37 1uqr n THR 81 Cb 0.37 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1uqr n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uqr s SER 82 N -1.81 6.51 0.29 3.42 0.15 -0.29 -4.80 113.70 117.17 1uqr s SER 82 Ca 0.00 -1.97 0.10 0.00 0.70 0.00 0.00 55.95 54.78 1uqr s SER 82 Cb 0.00 -2.33 0.42 0.00 -1.71 0.00 0.00 66.02 62.40 1uqr s SER 82 CO 0.00 -0.98 1.65 0.58 1.20 0.00 0.00 173.24 175.69 1uqr h VAL 83 N 5.61 1.40 -0.87 4.45 2.07 -1.94 -3.01 116.25 123.96 1uqr h VAL 83 Ca -0.01 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 1uqr h VAL 83 Cb 1.05 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 1uqr h VAL 83 CO 1.02 0.55 0.50 0.00 0.02 0.00 0.00 177.57 179.66 1uqr h ALA 84 N 1.41 1.12 -0.22 1.67 0.00 -1.98 -0.03 119.26 121.23 1uqr h ALA 84 Ca -0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1uqr h ALA 84 Cb 1.00 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1uqr h ALA 84 CO 0.07 0.61 -0.55 0.82 0.00 0.00 0.00 179.25 180.20 1uqr h ILE 85 N 1.21 1.30 -0.28 0.00 2.04 -1.92 -1.32 117.51 118.55 1uqr h ILE 85 Ca 0.31 -1.78 0.03 0.00 1.00 0.00 0.00 64.86 64.42 1uqr h ILE 85 Cb -0.00 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1uqr h ILE 85 CO -0.05 0.56 0.10 -0.09 0.00 0.00 0.00 178.15 178.67 1uqr h ARG 86 N 0.52 0.23 0.00 2.37 2.43 -1.33 -1.32 114.38 117.27 1uqr h ARG 86 Ca 0.01 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1uqr h ARG 86 Cb 1.12 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1uqr h ARG 86 CO 0.11 0.15 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.01 1uqr h ASP 87 N 0.23 0.00 -0.31 -3.80 3.32 -0.78 -1.44 116.42 113.64 1uqr h ASP 87 Ca 0.12 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1uqr h ASP 87 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1uqr h ASP 87 CO -0.12 0.27 -0.18 0.00 -1.72 0.00 0.00 179.24 177.49 1uqr h ALA 88 N 1.73 0.44 -0.64 3.45 0.00 -0.60 -0.45 119.26 123.18 1uqr h ALA 88 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1uqr h ALA 88 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1uqr h ALA 88 CO 0.04 0.37 0.09 -0.07 0.00 0.00 0.00 179.25 179.67 1uqr h LEU 89 N 0.42 1.03 -0.92 0.00 3.38 -0.87 -2.64 115.31 115.72 1uqr h LEU 89 Ca 0.06 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1uqr h LEU 89 Cb 0.72 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1uqr h LEU 89 CO 0.05 1.04 -0.27 -0.07 0.09 0.00 0.00 178.44 179.28 1uqr h LEU 90 N 0.99 0.48 -1.17 1.67 3.38 -1.20 -2.78 115.31 116.68 1uqr h LEU 90 Ca 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1uqr h LEU 90 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1uqr h LEU 90 CO 0.01 0.74 0.11 0.00 0.09 0.00 0.00 178.44 179.40 1uqr h ALA 91 N 1.30 1.33 -0.01 1.53 0.00 -0.74 -2.95 119.26 119.72 1uqr h ALA 91 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1uqr h ALA 91 Cb 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1uqr h ALA 91 CO 0.05 0.48 -0.35 1.33 0.00 0.00 0.00 179.25 180.75 1uqr n VAL 92 N -4.30 0.00 -3.93 0.00 0.24 -1.03 -4.97 118.33 104.33 1uqr n VAL 92 Ca 0.03 -0.09 -0.29 0.00 -2.04 0.00 0.00 64.34 61.96 1uqr n VAL 92 Cb 0.21 0.38 0.01 0.00 -1.47 0.00 0.00 33.84 32.97 1uqr n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uqr n SER 93 N -0.92 -3.11 -4.42 -1.34 7.64 -1.06 -4.67 113.62 105.74 1uqr n SER 93 Ca 0.10 -0.86 -0.35 0.00 1.01 0.00 0.00 58.87 58.77 1uqr n SER 93 Cb 0.35 -3.59 -0.13 0.00 -1.01 0.00 0.00 64.21 59.82 1uqr n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uqr s ILE 94 N -3.48 3.74 0.56 0.44 1.01 -1.26 -5.07 121.20 117.14 1uqr s ILE 94 Ca 0.44 -0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.50 1uqr s ILE 94 Cb -0.23 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1uqr s ILE 94 CO 0.85 0.44 1.28 -2.16 0.00 0.00 0.00 174.94 175.35 1uqr s PRO 95 N 0.97 3.13 0.10 2.79 0.04 -1.26 -4.78 135.00 135.98 1uqr s PRO 95 Ca 0.01 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 1uqr s PRO 95 Cb -0.14 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1uqr s PRO 95 CO 0.01 -1.13 0.22 -0.59 0.04 0.00 0.00 177.00 175.55 1uqr s PHE 96 N -1.43 0.14 -0.05 0.56 -0.71 -1.26 -1.52 117.98 113.70 1uqr s PHE 96 Ca 0.73 -0.55 0.06 0.00 -1.04 0.00 0.00 56.93 56.13 1uqr s PHE 96 Cb -0.35 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.42 1uqr s PHE 96 CO 0.41 -0.58 -0.24 -1.50 -1.34 0.00 0.00 175.22 171.97 1uqr s ILE 97 N -3.87 1.93 -0.11 -4.49 2.07 -0.56 -0.36 121.20 115.82 1uqr s ILE 97 Ca 0.06 -1.00 -0.14 0.00 -1.41 0.00 0.00 60.65 58.15 1uqr s ILE 97 Cb 0.04 -1.64 -0.05 0.00 0.13 0.00 0.00 42.46 40.95 1uqr s ILE 97 CO -0.10 0.54 0.34 -0.70 -1.91 0.00 0.00 174.94 173.11 1uqr s GLU 98 N -0.16 4.12 -0.01 3.50 2.12 -0.69 -1.26 118.70 126.33 1uqr s GLU 98 Ca -0.03 0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.55 1uqr s GLU 98 Cb -0.13 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1uqr s GLU 98 CO 0.03 0.38 -0.12 0.08 -0.54 0.00 0.00 175.26 175.09 1uqr s VAL 99 N 0.00 0.97 -0.03 3.70 1.01 -0.41 -1.17 120.40 124.48 1uqr s VAL 99 Ca 0.20 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1uqr s VAL 99 Cb -0.14 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1uqr s VAL 99 CO 0.07 0.27 -0.03 -1.00 0.00 0.00 0.00 175.10 174.41 1uqr s HIS 100 N -0.29 0.53 0.07 5.22 3.76 -0.37 -4.08 115.29 120.11 1uqr s HIS 100 Ca 0.05 -0.11 -0.21 0.00 -0.15 0.00 0.00 55.06 54.64 1uqr s HIS 100 Cb -0.05 -0.48 -0.12 0.00 1.11 0.00 0.00 32.58 33.04 1uqr s HIS 100 CO -0.00 -0.12 1.54 -0.07 -0.85 0.00 0.00 174.74 175.24 1uqr h LEU 101 N 6.87 0.22-10.45 0.89 3.38 -1.87 -2.05 115.31 112.31 1uqr h LEU 101 Ca -0.37 -0.25 -0.46 0.00 0.09 0.00 0.00 57.88 56.88 1uqr h LEU 101 Cb 1.16 -0.06 0.05 0.00 0.09 0.00 0.00 40.66 41.90 1uqr h LEU 101 CO 0.48 0.42 0.10 -0.94 0.09 0.00 0.00 178.44 178.59 1uqr s SER 102 N -5.66 5.47 -0.73 -0.43 1.04 -1.26 -1.58 113.70 110.54 1uqr s SER 102 Ca -0.14 0.48 -0.22 0.00 0.48 0.00 0.00 55.95 56.55 1uqr s SER 102 Cb 0.06 -1.46 0.08 0.00 0.10 0.00 0.00 66.02 64.80 1uqr s SER 102 CO 0.71 -1.09 1.02 0.21 0.98 0.00 0.00 173.24 175.07 1uqr s ASN 103 N -4.34 6.27 0.52 7.02 3.84 -1.26 -1.81 114.94 125.19 1uqr s ASN 103 Ca 0.54 -1.20 0.21 0.00 0.21 0.00 0.00 52.86 52.62 1uqr s ASN 103 Cb -0.10 -2.42 1.32 0.00 -0.55 0.00 0.00 41.25 39.50 1uqr s ASN 103 CO 0.43 -1.38 2.06 -0.37 -2.79 0.00 0.00 177.10 175.04 1uqr h VAL 104 N 5.98 0.85 0.00 -5.21 -1.51 -1.91 -1.38 116.25 113.08 1uqr h VAL 104 Ca -0.18 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1uqr h VAL 104 Cb 1.06 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1uqr h VAL 104 CO 1.18 0.00 0.00 0.45 -1.23 0.00 0.00 177.57 177.97 1uqr h HIS 105 N 0.02 0.00 -0.06 5.19 3.86 -1.90 -2.48 115.15 119.78 1uqr h HIS 105 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1uqr h HIS 105 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1uqr h HIS 105 CO -0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1uqr n ALA 106 N -2.01 2.52 -2.57 2.45 0.00 -0.52 -4.93 120.51 115.44 1uqr n ALA 106 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1uqr n ALA 106 Cb 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1uqr n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uqr n ARG 107 N 0.66 2.45 -1.66 0.00 1.74 -0.93 -5.07 116.66 113.85 1uqr n ARG 107 Ca 0.17 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.86 1uqr n ARG 107 Cb 0.45 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.93 1uqr n ARG 107 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1uqr n GLU 108 N -0.30 1.27 -0.25 5.56 4.71 -1.26 -4.87 120.64 125.49 1uqr n GLU 108 Ca 0.00 0.47 0.20 0.00 -0.01 0.00 0.00 57.16 57.82 1uqr n GLU 108 Cb 0.00 -2.29 0.52 0.00 -1.01 0.00 0.00 31.44 28.66 1uqr n GLU 108 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1uqr h PRO 109 N 1.03 0.38 0.00 3.49 0.11 -1.95 0.43 132.00 135.48 1uqr h PRO 109 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1uqr h PRO 109 Cb 1.34 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1uqr h PRO 109 CO 0.54 0.25 0.00 1.97 -0.21 0.00 0.00 178.00 180.55 1uqr n PHE 110 N -4.51 0.78 1.35 0.65 1.16 -1.26 -1.26 117.46 114.37 1uqr n PHE 110 Ca 0.20 0.34 0.13 0.00 -1.87 0.00 0.00 57.45 56.26 1uqr n PHE 110 Cb 0.73 -1.05 0.42 0.00 -1.61 0.00 0.00 39.48 37.97 1uqr n PHE 110 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1uqr n ARG 111 N -2.25 1.39 0.00 3.97 1.74 0.14 -3.96 116.66 117.70 1uqr n ARG 111 Ca 0.01 -0.86 0.15 0.00 -0.77 0.00 0.00 57.85 56.37 1uqr n ARG 111 Cb 0.15 -1.48 0.73 0.00 -1.02 0.00 0.00 32.46 30.85 1uqr n ARG 111 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1uqr n HIS 112 N -0.05 0.00 -4.99 -1.55 8.25 -0.39 -4.72 115.22 111.77 1uqr n HIS 112 Ca 0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.29 1uqr n HIS 112 Cb 0.38 -0.30 -0.14 0.00 1.12 0.00 0.00 29.99 31.05 1uqr n HIS 112 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1uqr s HIS 113 N -2.61 2.62 -0.04 4.41 5.65 -1.25 -5.03 115.29 119.04 1uqr s HIS 113 Ca 0.27 -0.30 0.03 0.00 0.25 0.00 0.00 55.06 55.32 1uqr s HIS 113 Cb 0.20 -1.62 0.00 0.00 -1.18 0.00 0.00 32.58 29.98 1uqr s HIS 113 CO 0.47 0.08 -0.14 0.45 -0.65 0.00 0.00 174.74 174.95 1uqr s SER 114 N -0.57 1.78 0.00 9.88 0.15 -1.26 -4.13 113.70 119.55 1uqr s SER 114 Ca 0.08 -0.29 0.24 0.00 0.70 0.00 0.00 55.95 56.68 1uqr s SER 114 Cb -0.11 -0.51 1.17 0.00 -1.71 0.00 0.00 66.02 64.86 1uqr s SER 114 CO 0.01 0.11 1.79 -1.22 1.20 0.00 0.00 173.24 175.13 1uqr n TYR 115 N 3.25 0.06 -0.03 3.44 4.01 -0.07 -3.94 117.16 123.88 1uqr n TYR 115 Ca -0.18 -0.03 -0.03 0.00 -0.16 0.00 0.00 57.90 57.49 1uqr n TYR 115 Cb 0.53 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.52 1uqr n TYR 115 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1uqr n LEU 116 N -0.33 0.81 -0.28 7.72 4.77 -1.26 -4.72 117.00 123.71 1uqr n LEU 116 Ca 0.18 -0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.23 1uqr n LEU 116 Cb 0.21 0.03 0.21 0.00 -2.33 0.00 0.00 43.42 41.54 1uqr n LEU 116 CO 0.14 0.26 0.86 0.28 -1.33 0.00 0.00 177.39 177.60 1uqr h SER 117 N 0.00 -0.26 0.85 -1.43 0.02 -1.94 -1.15 113.55 109.64 1uqr h SER 117 Ca -0.14 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1uqr h SER 117 Cb 1.30 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1uqr h SER 117 CO -0.00 -0.19 0.00 -2.24 -1.14 0.00 0.00 176.83 173.26 1uqr h ASP 118 N 0.13 0.00 -0.10 3.07 2.03 -1.87 -2.97 116.42 116.70 1uqr h ASP 118 Ca 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.78 1uqr h ASP 118 Cb 0.90 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1uqr h ASP 118 CO -0.69 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 178.85 1uqr n VAL 119 N -2.73 0.27 -2.64 4.15 0.24 -0.51 -4.99 118.33 112.11 1uqr n VAL 119 Ca 0.01 -0.63 -0.30 0.00 -2.04 0.00 0.00 64.34 61.38 1uqr n VAL 119 Cb 0.26 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.64 1uqr n VAL 119 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uqr s ALA 120 N -0.90 3.31 0.20 2.33 0.00 -0.74 -4.83 121.76 121.13 1uqr s ALA 120 Ca 0.15 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.79 1uqr s ALA 120 Cb 0.09 -2.75 0.12 0.00 0.00 0.00 0.00 23.12 20.59 1uqr s ALA 120 CO 0.13 -0.20 1.67 -0.22 0.00 0.00 0.00 175.76 177.14 1uqr h LYS 121 N 0.76 1.03 -2.44 0.00 1.63 -1.02 -3.47 116.57 113.06 1uqr h LYS 121 Ca -0.47 -0.31 0.17 0.00 -0.85 0.00 0.00 60.65 59.18 1uqr h LYS 121 Cb 1.19 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.67 1uqr h LYS 121 CO 0.63 1.00 0.54 0.20 -3.45 0.00 0.00 179.45 178.37 1uqr s GLY 122 N -3.61 -0.03 -0.00 5.01 0.00 -1.26 -5.07 107.32 102.37 1uqr s GLY 122 Ca -0.11 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.48 1uqr s GLY 122 CO 0.85 1.25 -0.03 0.14 0.00 0.00 0.00 173.10 175.31 1uqr s VAL 123 N -2.62 0.27 -0.14 1.40 1.01 -1.26 -1.70 120.40 117.36 1uqr s VAL 123 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1uqr s VAL 123 Cb -0.02 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1uqr s VAL 123 CO 0.04 0.08 -0.13 -0.63 0.00 0.00 0.00 175.10 174.46 1uqr s ILE 124 N -0.01 1.50 -0.04 2.22 1.01 -0.31 -4.99 121.20 120.59 1uqr s ILE 124 Ca 0.01 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1uqr s ILE 124 Cb -0.02 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1uqr s ILE 124 CO -0.00 0.45 -0.06 0.00 0.00 0.00 0.00 174.94 175.32 1uqr n GLY 126 N 3.70 0.69 1.80 0.00 0.00 -0.75 -4.76 105.19 105.88 1uqr n GLY 126 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1uqr n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uqr n LEU 127 N 0.00 5.40 0.00 0.99 4.77 -1.20 -4.66 117.00 122.30 1uqr n LEU 127 Ca 0.00 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 1uqr n LEU 127 Cb 0.00 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1uqr n LEU 127 CO 0.00 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1uqr n GLY 128 N 0.24 1.53 0.27 -0.72 0.00 -0.62 -2.52 105.19 103.37 1uqr n GLY 128 Ca 0.30 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1uqr n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 129 N -0.82 1.60 -0.02 4.61 0.00 -1.95 -2.10 119.26 120.57 1uqr h ALA 129 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1uqr h ALA 129 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1uqr h ALA 129 CO 0.00 0.08 -0.01 0.87 0.00 0.00 0.00 179.25 180.19 1uqr h LYS 130 N 0.00 0.03 -0.77 0.00 1.79 -1.92 -1.78 116.57 113.91 1uqr h LYS 130 Ca -0.00 -0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 1uqr h LYS 130 Cb 0.14 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 1uqr h LYS 130 CO 0.01 0.05 0.51 0.78 -1.08 0.00 0.00 179.45 179.71 1uqr h GLY 131 N 0.11 1.05 1.52 3.86 0.00 -1.36 -0.38 103.07 107.86 1uqr h GLY 131 Ca 0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 1uqr h GLY 131 CO 0.00 0.23 -0.39 -0.97 0.00 0.00 0.00 176.54 175.41 1uqr h TYR 132 N 0.80 0.63 -0.31 5.60 0.05 -1.49 -1.29 116.97 120.96 1uqr h TYR 132 Ca 0.34 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1uqr h TYR 132 Cb 0.29 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1uqr h TYR 132 CO -0.00 0.85 0.16 -0.44 -1.05 0.00 0.00 178.16 177.68 1uqr h ASP 133 N 0.44 0.40 -0.46 3.88 3.45 -1.06 -1.58 116.42 121.49 1uqr h ASP 133 Ca 0.04 -0.10 -0.10 0.00 0.43 0.00 0.00 57.03 57.30 1uqr h ASP 133 Cb 0.88 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.53 1uqr h ASP 133 CO 0.08 0.39 -0.09 1.88 -1.57 0.00 0.00 179.24 179.92 1uqr h TYR 134 N 0.38 1.02 -0.99 4.55 0.05 -1.17 -1.82 116.97 118.99 1uqr h TYR 134 Ca 0.11 -0.19 0.01 0.00 0.05 0.00 0.00 58.73 58.70 1uqr h TYR 134 Cb 0.08 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.52 1uqr h TYR 134 CO -0.03 0.96 0.65 0.00 -1.05 0.00 0.00 178.16 178.69 1uqr h ALA 135 N 1.06 1.25 -0.42 3.88 0.00 -0.98 -0.21 119.26 123.84 1uqr h ALA 135 Ca 0.14 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1uqr h ALA 135 Cb 0.62 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1uqr h ALA 135 CO 0.04 0.65 -0.07 1.25 0.00 0.00 0.00 179.25 181.12 1uqr h LEU 136 N 1.34 0.79 -0.73 0.00 5.85 -1.00 -0.94 115.31 120.62 1uqr h LEU 136 Ca 0.36 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1uqr h LEU 136 Cb -0.15 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.63 1uqr h LEU 136 CO -0.08 0.95 0.47 -0.78 -0.34 0.00 0.00 178.44 178.66 1uqr h ASP 137 N 0.61 0.80 -0.34 1.25 1.82 -0.74 -1.62 116.42 118.20 1uqr h ASP 137 Ca 0.11 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1uqr h ASP 137 Cb 0.59 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1uqr h ASP 137 CO 0.04 0.57 0.13 0.15 -1.61 0.00 0.00 179.24 178.51 1uqr h PHE 138 N 0.94 0.53 -0.32 0.28 3.57 -0.88 -1.15 116.94 119.91 1uqr h PHE 138 Ca 0.28 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.79 1uqr h PHE 138 Cb -0.06 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 1uqr h PHE 138 CO -0.03 0.50 0.02 0.00 -2.23 0.00 0.00 178.31 176.57 1uqr h ALA 139 N 0.97 0.30 -0.63 2.41 0.00 -0.77 0.68 119.26 122.22 1uqr h ALA 139 Ca 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1uqr h ALA 139 Cb 0.21 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1uqr h ALA 139 CO -0.01 -0.39 0.33 0.82 0.00 0.00 0.00 179.25 180.00 1uqr h ILE 140 N 0.12 1.21 -0.43 0.00 2.04 -1.16 -0.51 117.51 118.78 1uqr h ILE 140 Ca 0.15 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1uqr h ILE 140 Cb 0.19 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1uqr h ILE 140 CO -0.24 0.23 0.09 0.77 0.00 0.00 0.00 178.15 179.01 1uqr h SER 141 N 0.86 0.60 -0.33 1.72 4.64 -0.52 -0.84 113.55 119.69 1uqr h SER 141 Ca 0.22 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.27 1uqr h SER 141 Cb 0.07 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1uqr h SER 141 CO -0.03 0.61 -0.46 -0.33 -0.87 0.00 0.00 176.83 175.75 1uqr h GLU 142 N 0.63 0.90 -0.00 4.77 4.39 -0.36 -2.92 114.58 121.99 1uqr h GLU 142 Ca 0.14 -0.52 -0.10 0.00 0.34 0.00 0.00 59.36 59.23 1uqr h GLU 142 Cb 0.26 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1uqr h GLU 142 CO -0.00 1.16 -0.48 -0.07 -1.16 0.00 0.00 179.01 178.46 1uqr h LEU 143 N 0.72 0.01 -0.90 1.33 3.38 -0.66 -2.65 115.31 116.54 1uqr h LEU 143 Ca 0.04 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1uqr h LEU 143 Cb 1.06 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1uqr h LEU 143 CO 0.11 0.49 -0.42 1.56 0.09 0.00 0.00 178.44 180.27 1uqr h GLN 144 N 0.01 0.00 -0.24 1.13 4.20 -1.10 -2.98 115.11 116.12 1uqr h GLN 144 Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1uqr h GLN 144 Cb 0.85 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 1uqr h GLN 144 CO 0.06 0.42 -0.28 0.87 -0.67 0.00 0.00 178.83 179.23 1uqr h LYS 145 N 0.00 0.62 0.00 1.46 1.57 -1.28 -3.51 116.57 115.42 1uqr h LYS 145 Ca -0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1uqr h LYS 145 Cb 0.93 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1uqr h LYS 145 CO 0.05 0.94 0.00 -0.89 -0.57 0.00 0.00 179.45 178.99