#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqr s LYS 2 N 0.00 2.75 -0.04 2.12 -0.14 -1.26 -4.83 119.74 118.34 1uqr s LYS 2 Ca 0.00 1.21 0.06 0.00 -1.36 0.00 0.00 55.97 55.88 1uqr s LYS 2 Cb 0.00 -1.96 -0.01 0.00 -1.68 0.00 0.00 37.83 34.18 1uqr s LYS 2 CO 0.00 -1.27 -0.22 0.21 -0.76 0.00 0.00 175.35 173.32 1uqr s LYS 3 N -4.50 2.01 -0.03 1.68 2.20 -1.26 -2.10 119.74 117.74 1uqr s LYS 3 Ca 0.63 -0.77 0.06 0.00 -0.36 0.00 0.00 55.97 55.53 1uqr s LYS 3 Cb -0.18 -1.81 -0.02 0.00 -1.51 0.00 0.00 37.83 34.32 1uqr s LYS 3 CO 0.47 0.38 -0.22 0.42 -0.36 0.00 0.00 175.35 176.05 1uqr s ILE 4 N -0.26 2.40 -0.17 5.43 1.01 0.03 -0.71 121.20 128.94 1uqr s ILE 4 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1uqr s ILE 4 Cb -0.11 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1uqr s ILE 4 CO 0.01 0.58 -0.15 -0.22 0.00 0.00 0.00 174.94 175.16 1uqr s LEU 5 N -0.65 2.44 -0.22 2.97 2.96 -0.31 -1.27 118.68 124.60 1uqr s LEU 5 Ca 0.10 -0.50 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 1uqr s LEU 5 Cb -0.10 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1uqr s LEU 5 CO -0.00 0.06 0.30 -0.22 -1.32 0.00 0.00 176.35 175.17 1uqr s LEU 6 N 0.97 4.13 -0.08 -0.68 2.96 0.24 -1.18 118.68 125.04 1uqr s LEU 6 Ca -0.02 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1uqr s LEU 6 Cb -0.15 -2.35 -0.00 0.00 0.50 0.00 0.00 46.19 44.19 1uqr s LEU 6 CO -0.03 -0.03 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.98 1uqr s LEU 7 N 1.29 2.03 -0.07 -0.68 1.43 0.47 -1.26 118.68 121.88 1uqr s LEU 7 Ca 0.14 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1uqr s LEU 7 Cb -0.14 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1uqr s LEU 7 CO 0.07 0.17 -0.17 0.20 0.23 0.00 0.00 176.35 176.85 1uqr s ASN 8 N 0.21 2.27 0.29 2.29 0.01 -0.51 -1.10 114.94 118.41 1uqr s ASN 8 Ca -0.13 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.63 1uqr s ASN 8 Cb -0.16 -0.92 0.00 0.00 0.41 0.00 0.00 41.25 40.58 1uqr s ASN 8 CO 0.07 0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.37 1uqr n GLY 9 N 3.52 -0.21 3.57 0.66 0.00 0.96 -2.57 105.19 111.14 1uqr n GLY 9 Ca -0.20 -1.75 -0.45 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.38 1.24 0.00 1.61 -0.04 -1.02 -2.88 135.00 133.52 1uqr n PRO 10 Ca 0.00 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1uqr n PRO 10 Cb 0.00 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 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 1.31 0.00 0.23 3.54 3.02 -1.26 -4.47 115.26 117.63 1uqr n ASN 11 Ca 0.10 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.81 1uqr n ASN 11 Cb 0.31 -0.60 0.67 0.00 -0.61 0.00 0.00 39.78 39.55 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 -1.58 3.41 3.38 -1.89 -1.18 115.31 117.45 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 -1.87 -2.78 115.58 109.28 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 0.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.64 1uqr h ASN 13 CO 0.00 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.73 1uqr n MET 14 N -2.98 1.65 -1.62 4.14 2.81 -0.44 -4.73 117.12 115.94 1uqr n MET 14 Ca 0.00 -0.97 -0.48 0.00 -1.81 0.00 0.00 57.70 54.44 1uqr n MET 14 Cb 0.26 -1.38 -0.04 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.20 2.26 0.00 4.03 4.77 -1.05 -3.48 117.00 123.73 1uqr n LEU 15 Ca 0.16 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 1uqr n LEU 15 Cb 0.30 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1uqr n LEU 15 CO 0.12 -0.84 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 1uqr n GLY 16 N 2.46 2.70 0.37 -0.72 0.00 -1.24 -4.28 105.19 104.48 1uqr n GLY 16 Ca 0.15 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.55 -2.54 1.61 5.02 -1.24 -3.19 118.16 118.38 1uqr n LYS 17 Ca 0.00 -1.13 -0.42 0.00 -2.02 0.00 0.00 58.31 54.74 1uqr n LYS 17 Cb 0.00 -1.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1uqr n LYS 17 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1uqr s ARG 18 N -0.76 4.51 0.00 1.97 3.52 -1.23 -5.12 118.95 121.84 1uqr s ARG 18 Ca 0.11 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.36 1uqr s ARG 18 Cb 0.08 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 1uqr s ARG 18 CO 0.11 -0.11 0.00 0.39 -0.81 0.00 0.00 175.30 174.88 1uqr n GLU 19 N 3.55 -0.06 0.00 5.12 1.02 -1.26 -4.98 120.64 124.03 1uqr n GLU 19 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1uqr n GLU 19 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1uqr n GLU 19 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1uqr n SER 25 N 0.00 0.00 0.00 1.62 3.41 -1.19 -5.12 113.62 112.34 1uqr n SER 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1uqr n SER 25 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1uqr n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uqr n GLN 26 N 0.00 0.00 -2.05 4.33 10.64 -1.26 -3.59 117.38 125.44 1uqr n GLN 26 Ca 0.00 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.89 1uqr n GLN 26 Cb 0.00 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.45 1uqr n GLN 26 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1uqr s THR 27 N 0.00 2.53 0.29 -0.39 -4.23 -1.26 -4.19 115.64 108.39 1uqr s THR 27 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1uqr s THR 27 Cb 0.00 -3.13 0.15 0.00 1.34 0.00 0.00 72.50 70.85 1uqr s THR 27 CO 0.00 -0.16 1.82 0.25 -0.54 0.00 0.00 174.62 175.99 1uqr h LEU 28 N -0.74 0.72 -0.99 4.79 5.85 -1.80 -2.00 115.31 121.15 1uqr h LEU 28 Ca -0.45 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.16 1uqr h LEU 28 Cb 1.30 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1uqr h LEU 28 CO 0.63 0.74 0.65 0.28 -0.34 0.00 0.00 178.44 180.40 1uqr h SER 29 N 0.74 1.09 -0.32 1.25 0.02 -1.93 0.61 113.55 115.00 1uqr h SER 29 Ca 0.16 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1uqr h SER 29 Cb 0.33 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1uqr h SER 29 CO 0.00 0.75 0.17 0.44 -1.14 0.00 0.00 176.83 177.06 1uqr h ASP 30 N 1.26 0.40 -0.42 3.07 3.32 -1.75 -1.26 116.42 121.04 1uqr h ASP 30 Ca 0.39 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1uqr h ASP 30 Cb -0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1uqr h ASP 30 CO -0.12 0.38 0.15 0.40 -1.72 0.00 0.00 179.24 178.34 1uqr h ILE 31 N 0.39 1.21 -0.51 0.35 2.04 -0.98 -1.32 117.51 118.69 1uqr h ILE 31 Ca 0.11 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1uqr h ILE 31 Cb 0.08 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1uqr h ILE 31 CO -0.02 0.24 0.30 -0.33 0.00 0.00 0.00 178.15 178.34 1uqr h GLU 32 N 0.54 0.70 -0.12 2.37 5.08 -0.76 -1.01 114.58 121.39 1uqr h GLU 32 Ca 0.14 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1uqr h GLU 32 Cb 0.22 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1uqr h GLU 32 CO -0.01 0.52 0.05 1.96 -1.00 0.00 0.00 179.01 180.53 1uqr h GLN 33 N 0.68 0.17 -0.25 2.33 4.20 -1.09 -1.22 115.11 119.93 1uqr h GLN 33 Ca 0.18 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.92 1uqr h GLN 33 Cb 0.01 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 1uqr h GLN 33 CO -0.03 0.26 -0.08 1.25 -0.67 0.00 0.00 178.83 179.55 1uqr h HIS 34 N 0.05 -0.18 -0.44 2.96 2.76 -1.07 -0.35 115.15 118.87 1uqr h HIS 34 Ca 0.04 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1uqr h HIS 34 Cb 0.15 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 1uqr h HIS 34 CO -0.02 -0.13 0.00 -0.07 -1.30 0.00 0.00 177.93 176.41 1uqr h LEU 35 N -0.03 0.76 -0.29 0.26 3.38 -1.12 -0.96 115.31 117.31 1uqr h LEU 35 Ca 0.13 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1uqr h LEU 35 Cb 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1uqr h LEU 35 CO -0.28 0.88 0.12 -0.61 0.09 0.00 0.00 178.44 178.64 1uqr h GLN 36 N 0.62 0.42 -0.73 1.13 4.15 -0.96 -0.67 115.11 119.07 1uqr h GLN 36 Ca 0.12 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1uqr h GLN 36 Cb 0.49 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1uqr h GLN 36 CO 0.02 0.43 0.22 1.96 -1.93 0.00 0.00 178.83 179.54 1uqr h GLN 37 N 0.32 1.13 -0.56 1.69 4.20 -1.01 -1.23 115.11 119.65 1uqr h GLN 37 Ca 0.10 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 1uqr h GLN 37 Cb 0.16 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1uqr h GLN 37 CO -0.01 0.97 -0.02 0.77 -0.67 0.00 0.00 178.83 179.86 1uqr h SER 38 N 1.09 0.99 -0.50 1.46 0.02 -0.95 -1.54 113.55 114.12 1uqr h SER 38 Ca 0.24 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 1uqr h SER 38 Cb 0.31 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1uqr h SER 38 CO -0.01 1.07 0.11 0.00 -1.14 0.00 0.00 176.83 176.86 1uqr h ALA 39 N 0.96 0.66 -0.67 3.77 0.00 -0.91 -2.82 119.26 120.24 1uqr h ALA 39 Ca 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1uqr h ALA 39 Cb 0.58 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1uqr h ALA 39 CO 0.03 0.37 0.31 1.96 0.00 0.00 0.00 179.25 181.92 1uqr h GLN 40 N 0.69 0.96 0.00 0.00 4.20 -0.99 -0.97 115.11 119.01 1uqr h GLN 40 Ca 0.16 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1uqr h GLN 40 Cb 0.35 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1uqr h GLN 40 CO 0.00 0.76 -0.06 0.00 -0.67 0.00 0.00 178.83 178.86 1uqr h ALA 41 N 1.38 1.40 -0.13 3.87 0.00 -1.03 -0.87 119.26 123.87 1uqr h ALA 41 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1uqr h ALA 41 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1uqr h ALA 41 CO -0.03 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.34 1uqr n GLN 42 N -3.74 2.01 -0.67 0.00 1.13 -0.67 -4.93 117.38 110.52 1uqr n GLN 42 Ca -0.02 -1.49 0.00 0.00 -1.94 0.00 0.00 57.00 53.55 1uqr n GLN 42 Cb 0.16 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1uqr n GLN 42 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uqr n GLY 43 N 1.27 0.70 3.41 1.08 0.00 -0.33 -5.08 105.19 106.24 1uqr n GLY 43 Ca 0.17 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 2.36 -0.16 1.61 2.02 -0.46 -4.60 117.35 116.12 1uqr s TYR 44 Ca 0.00 -0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.24 1uqr s TYR 44 Cb 0.00 -1.28 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 1uqr s TYR 44 CO 0.00 0.34 0.17 -1.83 -1.57 0.00 0.00 175.55 172.66 1uqr s GLU 45 N -2.02 3.97 -0.11 -0.62 -1.05 -0.89 -2.65 118.70 115.32 1uqr s GLU 45 Ca 0.15 -0.12 -0.00 0.00 -0.15 0.00 0.00 54.97 54.85 1uqr s GLU 45 Cb -0.10 -3.34 0.02 0.00 -0.44 0.00 0.00 34.13 30.27 1uqr s GLU 45 CO 0.07 0.45 -0.09 -1.17 0.95 0.00 0.00 175.26 175.47 1uqr s LEU 46 N -0.10 1.27 0.25 1.83 0.20 -1.26 -0.79 118.68 120.07 1uqr s LEU 46 Ca 0.12 -0.32 0.06 0.00 0.69 0.00 0.00 54.13 54.68 1uqr s LEU 46 Cb -0.12 -0.88 -0.03 0.00 -0.43 0.00 0.00 46.19 44.73 1uqr s LEU 46 CO 0.01 -0.10 0.30 -0.62 -0.29 0.00 0.00 176.35 175.65 1uqr s ASP 47 N 1.62 6.03 0.04 3.68 2.15 -0.40 -4.83 116.67 124.96 1uqr s ASP 47 Ca 0.04 -0.05 -0.04 0.00 0.43 0.00 0.00 52.55 52.93 1uqr s ASP 47 Cb -0.13 -1.69 -0.02 0.00 -0.30 0.00 0.00 42.92 40.79 1uqr s ASP 47 CO -0.08 -0.06 0.05 -0.72 -0.17 0.00 0.00 175.17 174.19 1uqr s TYR 48 N -2.04 0.28 -0.12 -5.34 -0.85 -1.26 -0.59 117.35 107.44 1uqr s TYR 48 Ca 0.34 -0.65 -0.26 0.00 -0.52 0.00 0.00 57.07 55.98 1uqr s TYR 48 Cb -0.09 -0.21 0.06 0.00 0.38 0.00 0.00 41.96 42.11 1uqr s TYR 48 CO 0.28 -0.35 0.62 0.12 -1.52 0.00 0.00 175.55 174.70 1uqr s PHE 49 N -2.79 -0.62 0.00 -3.49 5.36 -0.39 -4.94 117.98 111.11 1uqr s PHE 49 Ca -0.03 1.25 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 1uqr s PHE 49 Cb -0.00 0.31 -0.00 0.00 -0.34 0.00 0.00 43.02 42.98 1uqr s PHE 49 CO -0.06 -0.48 -0.00 -1.14 -1.46 0.00 0.00 175.22 172.08 1uqr s GLN 50 N -0.62 0.06 0.09 10.12 -0.44 -1.26 -1.42 119.66 126.19 1uqr s GLN 50 Ca -0.07 -0.10 -0.23 0.00 -2.50 0.00 0.00 55.36 52.46 1uqr s GLN 50 Cb -0.02 0.02 0.06 0.00 -1.64 0.00 0.00 33.01 31.43 1uqr s GLN 50 CO 0.06 -0.01 0.55 0.00 0.50 0.00 0.00 175.29 176.39 1uqr s ALA 51 N -0.25 -1.43 -1.38 1.58 0.00 -1.06 -5.00 121.76 114.21 1uqr s ALA 51 Ca -0.03 0.54 0.19 0.00 0.00 0.00 0.00 51.96 52.67 1uqr s ALA 51 Cb -0.02 0.58 0.66 0.00 0.00 0.00 0.00 23.12 24.34 1uqr s ALA 51 CO -0.00 -0.61 1.56 0.09 0.00 0.00 0.00 175.76 176.80 1uqr n ASN 52 N 0.06 4.30 -4.00 0.00 3.02 -1.26 -2.44 115.26 114.93 1uqr n ASN 52 Ca -0.18 -2.27 -0.08 0.00 -0.03 0.00 0.00 54.58 52.02 1uqr n ASN 52 Cb 0.62 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.99 0.31 0.19 7.41 0.00 -1.26 -4.72 107.32 108.26 1uqr s GLY 53 Ca 0.48 -0.84 -0.09 0.00 0.00 0.00 0.00 44.72 44.27 1uqr s GLY 53 CO 0.27 -0.95 1.69 0.83 0.00 0.00 0.00 173.10 174.93 1uqr h GLU 54 N 3.63 1.13 -0.34 2.90 5.08 -1.99 -2.63 114.58 122.36 1uqr h GLU 54 Ca -0.33 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1uqr h GLU 54 Cb 1.17 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1uqr h GLU 54 CO 0.55 1.03 0.22 1.49 -1.00 0.00 0.00 179.01 181.30 1uqr h GLU 55 N 1.05 0.44 -0.47 2.33 4.81 -1.98 0.18 114.58 120.94 1uqr h GLU 55 Ca 0.21 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1uqr h GLU 55 Cb 0.45 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1uqr h GLU 55 CO 0.01 0.29 0.22 0.77 -0.73 0.00 0.00 179.01 179.57 1uqr h SER 56 N 0.45 0.62 -0.23 1.04 0.02 -1.98 -0.05 113.55 113.42 1uqr h SER 56 Ca 0.12 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1uqr h SER 56 Cb -0.05 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1uqr h SER 56 CO -0.03 0.58 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.12 1uqr h LEU 57 N 0.61 0.44 -0.73 5.07 3.38 -1.22 -2.20 115.31 120.66 1uqr h LEU 57 Ca 0.16 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1uqr h LEU 57 Cb 0.14 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1uqr h LEU 57 CO -0.02 0.70 0.33 0.40 0.09 0.00 0.00 178.44 179.95 1uqr h ILE 58 N 0.18 1.24 -0.86 1.22 2.04 -0.59 -0.85 117.51 119.90 1uqr h ILE 58 Ca 0.06 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1uqr h ILE 58 Cb 0.51 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1uqr h ILE 58 CO 0.02 0.29 0.42 0.78 0.00 0.00 0.00 178.15 179.67 1uqr h ASN 59 N 1.04 1.12 -0.50 1.72 2.35 -0.94 -0.18 115.58 120.18 1uqr h ASN 59 Ca 0.25 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1uqr h ASN 59 Cb 0.15 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1uqr h ASN 59 CO -0.03 0.93 0.04 -0.09 -1.65 0.00 0.00 177.43 176.63 1uqr h ARG 60 N 1.23 0.92 -0.38 0.81 9.65 -0.90 -0.73 114.38 124.98 1uqr h ARG 60 Ca 0.30 -0.25 -0.04 0.00 -1.10 0.00 0.00 59.98 58.89 1uqr h ARG 60 Cb 0.10 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1uqr h ARG 60 CO -0.04 0.89 0.08 0.82 2.80 0.00 0.00 179.97 184.52 1uqr h ILE 61 N 0.86 1.23 -0.73 1.20 2.04 -0.56 -2.33 117.51 119.22 1uqr h ILE 61 Ca 0.17 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1uqr h ILE 61 Cb 0.46 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1uqr h ILE 61 CO 0.02 0.27 0.37 0.45 0.00 0.00 0.00 178.15 179.26 1uqr h HIS 62 N 0.46 1.02 0.00 1.37 3.86 -0.77 -1.70 115.15 119.40 1uqr h HIS 62 Ca 0.12 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1uqr h HIS 62 Cb 0.32 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1uqr h HIS 62 CO 0.02 0.73 -0.13 1.96 0.86 0.00 0.00 177.93 181.37 1uqr h GLN 63 N 1.03 0.00 0.00 2.45 4.20 -0.85 -2.04 115.11 119.90 1uqr h GLN 63 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1uqr h GLN 63 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1uqr h GLN 63 CO -0.04 0.13 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1uqr n ALA 64 N -2.33 2.15 -1.66 3.87 0.00 -0.64 -4.83 120.51 117.06 1uqr n ALA 64 Ca -0.02 -0.01 -0.47 0.00 0.00 0.00 0.00 53.44 52.94 1uqr n ALA 64 Cb 0.23 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.19 2.18 -0.89 0.00 7.35 -0.77 -1.61 117.46 121.54 1uqr n PHE 65 Ca 0.05 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 1uqr n PHE 65 Cb 0.38 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.67 1uqr n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1uqr n GLN 66 N 3.92 -0.54 0.00 -4.13 6.02 -1.26 -4.72 117.38 116.67 1uqr n GLN 66 Ca 0.18 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1uqr n GLN 66 Cb 0.27 -3.75 0.00 0.00 1.02 0.00 0.00 30.24 27.78 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 -0.27 0.03 -4.37 1.08 6.94 -0.94 -5.06 115.26 112.67 1uqr n ASN 67 Ca 0.00 -0.24 -0.32 0.00 -0.02 0.00 0.00 54.58 53.99 1uqr n ASN 67 Cb 0.14 0.19 -0.15 0.00 -2.36 0.00 0.00 39.78 37.60 1uqr n ASN 67 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1uqr s THR 68 N -0.19 2.69 -0.08 5.53 2.01 -0.63 -4.62 115.64 120.35 1uqr s THR 68 Ca 0.00 -0.83 0.22 0.00 0.31 0.00 0.00 61.69 61.39 1uqr s THR 68 Cb 0.00 -2.06 -0.26 0.00 0.01 0.00 0.00 72.50 70.20 1uqr s THR 68 CO 0.00 0.56 0.62 0.47 -0.69 0.00 0.00 174.62 175.58 1uqr n ASP 69 N 2.94 0.21 -3.58 3.53 8.00 0.11 -4.92 116.55 122.84 1uqr n ASP 69 Ca -0.18 0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.25 1uqr n ASP 69 Cb 0.52 1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 43.17 1uqr n ASP 69 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1uqr s PHE 70 N -3.48 -0.71 -0.02 1.24 2.19 -1.17 -4.48 117.98 111.54 1uqr s PHE 70 Ca -0.06 1.53 0.08 0.00 0.33 0.00 0.00 56.93 58.81 1uqr s PHE 70 Cb 0.13 0.34 -0.02 0.00 -1.31 0.00 0.00 43.02 42.16 1uqr s PHE 70 CO 0.88 -0.47 -0.25 0.42 1.83 0.00 0.00 175.22 177.63 1uqr s ILE 71 N -0.33 1.98 -0.22 3.12 1.01 -0.48 -1.16 121.20 125.12 1uqr s ILE 71 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1uqr s ILE 71 Cb -0.03 -1.64 0.03 0.00 0.01 0.00 0.00 42.46 40.83 1uqr s ILE 71 CO 0.05 0.56 -0.12 -0.63 0.00 0.00 0.00 174.94 174.79 1uqr s ILE 72 N -0.54 2.46 -0.04 2.92 1.01 -0.33 -1.62 121.20 125.06 1uqr s ILE 72 Ca 0.08 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1uqr s ILE 72 Cb -0.10 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1uqr s ILE 72 CO -0.01 0.31 -0.10 -0.51 0.00 0.00 0.00 174.94 174.64 1uqr s ILE 73 N 1.28 0.87 -0.44 2.92 2.07 -0.50 -0.40 121.20 127.01 1uqr s ILE 73 Ca 0.01 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 1uqr s ILE 73 Cb -0.16 -0.80 0.12 0.00 0.13 0.00 0.00 42.46 41.75 1uqr s ILE 73 CO -0.08 0.28 0.20 0.21 -1.91 0.00 0.00 174.94 173.64 1uqr s ASN 74 N 0.47 4.88 0.00 4.50 3.84 -0.26 -0.99 114.94 127.37 1uqr s ASN 74 Ca -0.08 -2.42 0.19 0.00 0.21 0.00 0.00 52.86 50.76 1uqr s ASN 74 Cb -0.12 -1.72 1.13 0.00 -0.55 0.00 0.00 41.25 39.99 1uqr s ASN 74 CO 0.01 -0.39 1.54 -0.81 -2.79 0.00 0.00 177.10 174.66 1uqr n PRO 75 N 3.98 0.65 0.00 0.43 -0.04 -1.26 -0.02 135.00 138.74 1uqr n PRO 75 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1uqr n PRO 75 Cb 0.39 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1uqr n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uqr n GLY 76 N 0.29 2.06 0.35 0.55 0.00 -1.26 -1.77 105.19 105.41 1uqr n GLY 76 Ca 0.14 -0.45 0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.84 1.68 0.00 4.61 0.00 -1.94 -1.74 119.26 121.03 1uqr h ALA 77 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uqr h ALA 77 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uqr h ALA 77 CO 0.00 -0.36 0.00 1.19 0.00 0.00 0.00 179.25 180.08 1uqr n PHE 78 N -3.49 0.48 -0.01 0.00 3.72 -0.73 -2.26 117.46 115.18 1uqr n PHE 78 Ca 0.02 0.20 0.02 0.00 -0.05 0.00 0.00 57.45 57.63 1uqr n PHE 78 Cb 0.38 -0.82 0.35 0.00 -0.94 0.00 0.00 39.48 38.45 1uqr n PHE 78 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1uqr h THR 79 N 0.00 1.16 0.00 4.37 1.35 -1.43 0.47 112.91 118.82 1uqr h THR 79 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1uqr h THR 79 Cb 0.26 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1uqr h THR 79 CO 0.00 0.20 -0.65 0.45 -0.25 0.00 0.00 175.52 175.26 1uqr h HIS 80 N 0.54 0.00 0.00 4.73 3.86 -1.61 0.10 115.15 122.77 1uqr h HIS 80 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1uqr h HIS 80 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1uqr h HIS 80 CO 0.01 0.00 -0.80 0.25 0.86 0.00 0.00 177.93 178.24 1uqr n THR 81 N -2.24 0.00 -3.09 2.45 -2.24 -1.05 -4.82 114.28 103.29 1uqr n THR 81 Ca 0.03 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.36 1uqr n THR 81 Cb 0.46 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.62 6.55 0.29 3.42 0.15 0.13 -4.79 113.70 117.83 1uqr s SER 82 Ca 0.00 -2.07 0.11 0.00 0.70 0.00 0.00 55.95 54.69 1uqr s SER 82 Cb 0.00 -2.32 0.43 0.00 -1.71 0.00 0.00 66.02 62.42 1uqr s SER 82 CO 0.00 -0.93 1.66 0.58 1.20 0.00 0.00 173.24 175.74 1uqr h VAL 83 N 5.53 1.41 -0.72 4.45 2.07 -1.92 -2.96 116.25 124.10 1uqr h VAL 83 Ca 0.02 -1.94 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1uqr h VAL 83 Cb 1.05 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1uqr h VAL 83 CO 1.00 0.55 0.41 0.00 0.02 0.00 0.00 177.57 179.55 1uqr h ALA 84 N 1.43 0.92 -0.27 1.67 0.00 -1.97 -0.52 119.26 120.51 1uqr h ALA 84 Ca -0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1uqr h ALA 84 Cb 1.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1uqr h ALA 84 CO 0.07 0.42 -0.44 0.82 0.00 0.00 0.00 179.25 180.13 1uqr h ILE 85 N 0.99 1.29 -0.14 0.00 2.04 -1.93 -1.33 117.51 118.43 1uqr h ILE 85 Ca 0.25 -1.63 0.03 0.00 1.00 0.00 0.00 64.86 64.52 1uqr h ILE 85 Cb 0.02 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1uqr h ILE 85 CO -0.04 0.52 -0.06 -0.09 0.00 0.00 0.00 178.15 178.48 1uqr h ARG 86 N 0.55 -0.04 0.00 2.37 2.43 -1.27 -1.17 114.38 117.25 1uqr h ARG 86 Ca 0.04 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1uqr h ARG 86 Cb 0.98 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1uqr h ARG 86 CO 0.09 -0.02 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.88 1uqr h ASP 87 N -0.04 0.00 -0.13 -3.80 3.32 -0.93 -1.37 116.42 113.47 1uqr h ASP 87 Ca 0.08 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1uqr h ASP 87 Cb 0.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1uqr h ASP 87 CO -0.17 0.21 -0.20 0.00 -1.72 0.00 0.00 179.24 177.36 1uqr h ALA 88 N 1.79 0.20 -0.82 3.45 0.00 -0.58 -0.41 119.26 122.90 1uqr h ALA 88 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1uqr h ALA 88 Cb 0.48 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1uqr h ALA 88 CO 0.03 0.14 0.41 -0.07 0.00 0.00 0.00 179.25 179.76 1uqr h LEU 89 N -0.03 1.05 -0.58 0.00 3.38 -0.89 -2.33 115.31 115.91 1uqr h LEU 89 Ca 0.01 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1uqr h LEU 89 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1uqr h LEU 89 CO 0.05 0.87 -0.40 -0.07 0.09 0.00 0.00 178.44 178.97 1uqr h LEU 90 N 1.15 0.73 -1.10 1.67 3.38 -1.20 -2.85 115.31 117.09 1uqr h LEU 90 Ca 0.28 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1uqr h LEU 90 Cb 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1uqr h LEU 90 CO -0.04 1.04 0.21 0.00 0.09 0.00 0.00 178.44 179.74 1uqr h ALA 91 N 0.99 1.29 -0.00 1.53 0.00 -0.57 -2.72 119.26 119.78 1uqr h ALA 91 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1uqr h ALA 91 Cb 0.94 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1uqr h ALA 91 CO 0.08 0.52 -0.27 1.33 0.00 0.00 0.00 179.25 180.91 1uqr n VAL 92 N -4.31 0.00 -3.95 0.00 0.24 -0.92 -4.97 118.33 104.42 1uqr n VAL 92 Ca 0.05 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.34 61.99 1uqr n VAL 92 Cb 0.18 0.18 0.01 0.00 -1.47 0.00 0.00 33.84 32.74 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 -1.01 -2.94 -4.41 -1.34 7.64 -1.03 -4.77 113.62 105.76 1uqr n SER 93 Ca 0.11 -0.88 -0.35 0.00 1.01 0.00 0.00 58.87 58.76 1uqr n SER 93 Cb 0.33 -3.52 -0.13 0.00 -1.01 0.00 0.00 64.21 59.88 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 -3.49 3.72 0.44 0.44 1.01 -1.25 -5.08 121.20 116.98 1uqr s ILE 94 Ca 0.43 -0.39 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 1uqr s ILE 94 Cb -0.22 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.49 1uqr s ILE 94 CO 0.86 0.44 1.40 -2.16 0.00 0.00 0.00 174.94 175.48 1uqr s PRO 95 N 1.00 3.76 0.06 2.79 0.04 -1.26 -4.76 135.00 136.63 1uqr s PRO 95 Ca 0.01 2.36 -0.04 0.00 0.04 0.00 0.00 61.00 63.38 1uqr s PRO 95 Cb -0.14 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 1uqr s PRO 95 CO 0.01 -0.74 0.04 -0.59 0.04 0.00 0.00 177.00 175.77 1uqr s PHE 96 N -1.21 0.37 -0.08 0.56 -0.71 -1.26 -1.38 117.98 114.27 1uqr s PHE 96 Ca 0.60 -0.85 0.05 0.00 -1.04 0.00 0.00 56.93 55.68 1uqr s PHE 96 Cb -0.42 -0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 41.11 1uqr s PHE 96 CO 0.55 -0.41 -0.23 0.42 -1.34 0.00 0.00 175.22 174.21 1uqr s ILE 97 N -3.64 2.25 -0.12 -4.49 1.01 -0.64 -0.59 121.20 114.98 1uqr s ILE 97 Ca 0.04 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 1uqr s ILE 97 Cb 0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1uqr s ILE 97 CO -0.09 0.56 0.39 -0.70 0.00 0.00 0.00 174.94 175.11 1uqr s GLU 98 N 0.02 4.26 -0.02 2.79 2.12 -0.64 -1.41 118.70 125.81 1uqr s GLU 98 Ca -0.08 0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.60 1uqr s GLU 98 Cb -0.15 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1uqr s GLU 98 CO 0.05 0.24 -0.19 0.08 -0.54 0.00 0.00 175.26 174.91 1uqr s VAL 99 N 0.40 1.48 -0.04 3.70 1.01 -0.16 -1.24 120.40 125.55 1uqr s VAL 99 Ca 0.22 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1uqr s VAL 99 Cb -0.14 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1uqr s VAL 99 CO 0.08 0.42 -0.04 -1.00 0.00 0.00 0.00 175.10 174.56 1uqr s HIS 100 N -0.31 0.68 0.06 5.22 3.76 -0.33 -4.08 115.29 120.29 1uqr s HIS 100 Ca 0.04 -0.17 -0.21 0.00 -0.15 0.00 0.00 55.06 54.56 1uqr s HIS 100 Cb -0.09 -0.61 -0.13 0.00 1.11 0.00 0.00 32.58 32.87 1uqr s HIS 100 CO 0.00 -0.16 1.49 -0.07 -0.85 0.00 0.00 174.74 175.15 1uqr h LEU 101 N 7.06 0.23-10.46 0.89 3.38 -1.86 -2.20 115.31 112.36 1uqr h LEU 101 Ca -0.38 -0.30 -0.45 0.00 0.09 0.00 0.00 57.88 56.83 1uqr h LEU 101 Cb 1.15 -0.06 0.05 0.00 0.09 0.00 0.00 40.66 41.89 1uqr h LEU 101 CO 0.48 0.48 0.02 -0.94 0.09 0.00 0.00 178.44 178.57 1uqr s SER 102 N -5.73 5.41 -0.63 -0.43 1.04 -1.26 -1.56 113.70 110.53 1uqr s SER 102 Ca -0.14 0.25 -0.22 0.00 0.48 0.00 0.00 55.95 56.32 1uqr s SER 102 Cb 0.06 -1.22 0.07 0.00 0.10 0.00 0.00 66.02 65.03 1uqr s SER 102 CO 0.71 -1.08 0.92 0.21 0.98 0.00 0.00 173.24 174.98 1uqr s ASN 103 N -4.36 6.19 0.57 7.02 3.84 -1.26 -1.62 114.94 125.32 1uqr s ASN 103 Ca 0.55 -0.98 0.26 0.00 0.21 0.00 0.00 52.86 52.90 1uqr s ASN 103 Cb -0.10 -2.40 1.69 0.00 -0.55 0.00 0.00 41.25 39.88 1uqr s ASN 103 CO 0.40 -1.36 2.23 -0.37 -2.79 0.00 0.00 177.10 175.21 1uqr h VAL 104 N 5.97 0.64 0.00 -5.21 -1.51 -1.92 -1.62 116.25 112.60 1uqr h VAL 104 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1uqr h VAL 104 Cb 1.07 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1uqr h VAL 104 CO 1.16 0.00 0.00 0.45 -1.23 0.00 0.00 177.57 177.95 1uqr h HIS 105 N 0.00 0.00 -0.03 5.19 3.86 -1.91 -3.02 115.15 119.25 1uqr h HIS 105 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uqr h HIS 105 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 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 -1.99 2.55 -2.31 2.45 0.00 -0.61 -4.92 120.51 115.67 1uqr n ALA 106 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1uqr n ALA 106 Cb 0.38 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.39 3.72 -1.76 0.00 1.74 -1.14 -5.08 116.66 114.52 1uqr n ARG 107 Ca 0.18 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 1uqr n ARG 107 Cb 0.40 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.90 1uqr n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1uqr s GLU 108 N 2.96 2.70 0.42 5.56 8.01 -1.26 -4.90 118.70 132.19 1uqr s GLU 108 Ca 0.00 2.10 0.16 0.00 0.01 0.00 0.00 54.97 57.24 1uqr s GLU 108 Cb 0.00 -1.94 1.06 0.00 -4.31 0.00 0.00 34.13 28.93 1uqr s GLU 108 CO 0.00 -1.49 1.87 -1.35 0.01 0.00 0.00 175.26 174.30 1uqr h PRO 109 N 0.76 0.42 0.00 0.39 0.11 -1.95 -0.31 132.00 131.42 1uqr h PRO 109 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1uqr h PRO 109 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uqr h PRO 109 CO 0.54 0.28 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 1uqr h PHE 110 N 0.43 0.00 -0.01 0.65 -5.15 -1.96 -1.23 116.94 109.66 1uqr h PHE 110 Ca 0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.22 1uqr h PHE 110 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.23 1uqr h PHE 110 CO -0.00 0.00 -0.04 0.54 -2.00 0.00 0.00 178.31 176.81 1uqr n ARG 111 N -2.51 1.43 0.04 6.09 1.74 -0.13 -3.80 116.66 119.52 1uqr n ARG 111 Ca 0.00 -0.76 0.14 0.00 -0.77 0.00 0.00 57.85 56.46 1uqr n ARG 111 Cb 0.17 -1.48 0.52 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.12 0.37 -4.54 -1.55 8.25 -0.46 -4.66 115.22 112.50 1uqr n HIS 112 Ca 0.18 0.11 -0.34 0.00 -0.26 0.00 0.00 57.72 57.41 1uqr n HIS 112 Cb 0.32 -0.66 -0.11 0.00 1.12 0.00 0.00 29.99 30.66 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 -3.04 2.99 -0.01 4.41 5.65 -1.25 -5.02 115.29 119.02 1uqr s HIS 113 Ca 0.12 0.06 0.02 0.00 0.25 0.00 0.00 55.06 55.51 1uqr s HIS 113 Cb 0.16 -1.71 -0.00 0.00 -1.18 0.00 0.00 32.58 29.85 1uqr s HIS 113 CO 0.57 0.37 -0.07 0.45 -0.65 0.00 0.00 174.74 175.40 1uqr s SER 114 N -0.93 0.92 0.00 9.88 0.15 -1.26 -4.17 113.70 118.29 1uqr s SER 114 Ca 0.13 -0.14 0.22 0.00 0.70 0.00 0.00 55.95 56.87 1uqr s SER 114 Cb -0.11 -0.17 0.84 0.00 -1.71 0.00 0.00 66.02 64.87 1uqr s SER 114 CO 0.03 0.07 1.61 -1.22 1.20 0.00 0.00 173.24 174.92 1uqr n TYR 115 N 3.09 0.15 -0.02 3.44 4.01 0.35 -4.15 117.16 124.03 1uqr n TYR 115 Ca -0.15 -0.08 -0.03 0.00 -0.16 0.00 0.00 57.90 57.48 1uqr n TYR 115 Cb 0.56 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.56 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 0.24 1.40 -0.27 7.72 4.77 -1.26 -4.70 117.00 124.90 1uqr n LEU 116 Ca 0.17 -0.01 0.08 0.00 -0.03 0.00 0.00 56.01 56.21 1uqr n LEU 116 Cb 0.32 -0.03 0.21 0.00 -2.33 0.00 0.00 43.42 41.59 1uqr n LEU 116 CO 0.14 0.33 0.93 0.28 -1.33 0.00 0.00 177.39 177.74 1uqr h SER 117 N 0.00 -0.01 0.70 -1.43 0.02 -1.93 -1.05 113.55 109.84 1uqr h SER 117 Ca -0.11 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1uqr h SER 117 Cb 1.22 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1uqr h SER 117 CO -0.01 -0.08 0.00 -2.24 -1.14 0.00 0.00 176.83 173.37 1uqr h ASP 118 N 0.25 0.00 -0.01 3.07 2.03 -1.88 -2.87 116.42 117.01 1uqr h ASP 118 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 1uqr h ASP 118 Cb 0.83 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.33 1uqr h ASP 118 CO -0.57 0.00 -0.01 1.33 -1.03 0.00 0.00 179.24 178.97 1uqr n VAL 119 N -2.86 0.00 -2.26 4.15 0.24 -0.50 -5.00 118.33 112.10 1uqr n VAL 119 Ca 0.00 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.48 1uqr n VAL 119 Cb 0.23 1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.92 3.01 0.21 2.33 0.00 -0.61 -4.85 121.76 120.94 1uqr s ALA 120 Ca 0.13 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 1uqr s ALA 120 Cb 0.09 -3.13 0.17 0.00 0.00 0.00 0.00 23.12 20.25 1uqr s ALA 120 CO 0.14 -0.40 1.67 -0.22 0.00 0.00 0.00 175.76 176.95 1uqr h LYS 121 N 0.66 0.92 -2.55 0.00 1.63 -1.17 -3.47 116.57 112.59 1uqr h LYS 121 Ca -0.46 -0.30 0.14 0.00 -0.85 0.00 0.00 60.65 59.18 1uqr h LYS 121 Cb 1.19 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.67 1uqr h LYS 121 CO 0.61 0.95 0.40 0.20 -3.45 0.00 0.00 179.45 178.16 1uqr s GLY 122 N -3.69 -0.17 -0.00 5.01 0.00 -1.26 -5.06 107.32 102.14 1uqr s GLY 122 Ca -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.59 1uqr s GLY 122 CO 0.84 0.00 -0.03 0.14 0.00 0.00 0.00 173.10 174.05 1uqr s VAL 123 N -3.46 0.24 -0.14 1.40 1.01 -1.26 -1.63 120.40 116.56 1uqr s VAL 123 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1uqr s VAL 123 Cb -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.16 1uqr s VAL 123 CO 0.04 0.08 -0.11 -0.63 0.00 0.00 0.00 175.10 174.48 1uqr s ILE 124 N 0.02 1.33 -0.03 2.22 1.01 -0.37 -4.99 121.20 120.39 1uqr s ILE 124 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1uqr s ILE 124 Cb -0.02 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1uqr s ILE 124 CO -0.00 0.38 -0.09 0.00 0.00 0.00 0.00 174.94 175.23 1uqr n GLY 126 N 3.47 0.75 1.90 0.00 0.00 -0.64 -4.76 105.19 105.91 1uqr n GLY 126 Ca -0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 5.78 0.00 0.99 4.77 -1.20 -4.66 117.00 122.68 1uqr n LEU 127 Ca 0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 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 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1uqr n GLY 128 N 0.50 0.91 0.29 -0.72 0.00 -0.60 -3.14 105.19 102.43 1uqr n GLY 128 Ca 0.30 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.96 1.63 0.00 4.61 0.00 -1.94 -1.45 119.26 121.15 1uqr h ALA 129 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uqr h ALA 129 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uqr h ALA 129 CO 0.00 0.01 -0.01 0.87 0.00 0.00 0.00 179.25 180.12 1uqr h LYS 130 N 0.00 0.00 -0.74 0.00 1.57 -1.98 -0.97 116.57 114.46 1uqr h LYS 130 Ca -0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1uqr h LYS 130 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1uqr h LYS 130 CO 0.00 0.01 0.49 0.78 -0.57 0.00 0.00 179.45 180.15 1uqr h GLY 131 N 0.04 0.97 1.39 3.86 0.00 -1.32 -0.87 103.07 107.14 1uqr h GLY 131 Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 1uqr h GLY 131 CO 0.00 0.21 -0.27 -0.97 0.00 0.00 0.00 176.54 175.51 1uqr h TYR 132 N 0.74 0.79 -0.33 5.60 0.05 -1.36 -1.90 116.97 120.57 1uqr h TYR 132 Ca 0.33 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1uqr h TYR 132 Cb 0.32 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1uqr h TYR 132 CO -0.00 0.89 0.17 -0.44 -1.05 0.00 0.00 178.16 177.73 1uqr h ASP 133 N 0.60 0.41 -0.76 3.88 3.32 -1.23 -0.67 116.42 121.97 1uqr h ASP 133 Ca 0.08 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1uqr h ASP 133 Cb 0.77 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 1uqr h ASP 133 CO 0.06 0.40 0.30 1.88 -1.72 0.00 0.00 179.24 180.16 1uqr h TYR 134 N 0.40 1.17 -0.79 4.55 0.99 -1.28 -1.22 116.97 120.79 1uqr h TYR 134 Ca 0.11 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1uqr h TYR 134 Cb 0.08 -0.35 -0.04 0.00 1.00 0.00 0.00 36.73 37.43 1uqr h TYR 134 CO -0.02 0.89 0.38 0.00 -0.00 0.00 0.00 178.16 179.41 1uqr h ALA 135 N 1.15 1.18 -0.31 3.88 0.00 -0.99 -0.75 119.26 123.43 1uqr h ALA 135 Ca 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1uqr h ALA 135 Cb 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1uqr h ALA 135 CO -0.02 0.62 -0.04 1.25 0.00 0.00 0.00 179.25 181.07 1uqr h LEU 136 N 1.12 0.56 -0.64 0.00 5.85 -0.70 -0.04 115.31 121.47 1uqr h LEU 136 Ca 0.27 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1uqr h LEU 136 Cb 0.11 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1uqr h LEU 136 CO -0.03 0.77 0.38 -0.78 -0.34 0.00 0.00 178.44 178.43 1uqr h ASP 137 N 0.35 0.61 -0.40 1.25 1.82 -0.87 -0.71 116.42 118.46 1uqr h ASP 137 Ca 0.08 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.66 1uqr h ASP 137 Cb 0.50 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 1uqr h ASP 137 CO 0.02 0.42 -0.04 0.15 -1.61 0.00 0.00 179.24 178.18 1uqr h PHE 138 N 0.74 0.82 -0.40 0.28 3.57 -0.96 -1.58 116.94 119.41 1uqr h PHE 138 Ca 0.26 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1uqr h PHE 138 Cb 0.06 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1uqr h PHE 138 CO -0.06 0.84 0.13 0.00 -2.23 0.00 0.00 178.31 176.99 1uqr h ALA 139 N 0.87 0.46 -0.71 2.41 0.00 -0.52 -0.30 119.26 121.46 1uqr h ALA 139 Ca 0.11 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1uqr h ALA 139 Cb 0.54 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1uqr h ALA 139 CO 0.03 -0.26 0.22 0.82 0.00 0.00 0.00 179.25 180.05 1uqr h ILE 140 N 0.28 1.25 -0.76 0.00 2.04 -1.03 -1.47 117.51 117.82 1uqr h ILE 140 Ca 0.18 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 1uqr h ILE 140 Cb 0.18 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1uqr h ILE 140 CO -0.20 0.35 0.30 0.77 0.00 0.00 0.00 178.15 179.37 1uqr h SER 141 N 1.05 1.03 -0.57 1.72 4.64 -0.50 -0.48 113.55 120.45 1uqr h SER 141 Ca 0.23 -0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1uqr h SER 141 Cb 0.30 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1uqr h SER 141 CO -0.01 0.92 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.51 1uqr h GLU 142 N 1.10 1.03 -0.04 4.77 4.39 -0.71 -2.89 114.58 122.24 1uqr h GLU 142 Ca 0.25 -0.33 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 1uqr h GLU 142 Cb 0.21 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1uqr h GLU 142 CO -0.02 1.03 -0.52 -0.07 -1.16 0.00 0.00 179.01 178.27 1uqr h LEU 143 N 0.94 0.12 -1.63 1.33 3.38 -0.82 -2.56 115.31 116.07 1uqr h LEU 143 Ca 0.16 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1uqr h LEU 143 Cb 0.58 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1uqr h LEU 143 CO 0.03 0.62 -0.21 1.56 0.09 0.00 0.00 178.44 180.54 1uqr h GLN 144 N 0.09 0.00 -0.12 1.13 4.20 -0.89 -2.52 115.11 117.00 1uqr h GLN 144 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1uqr h GLN 144 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1uqr h GLN 144 CO 0.07 0.21 -0.43 0.87 -0.67 0.00 0.00 178.83 178.88 1uqr h LYS 145 N 0.00 0.50 0.00 1.46 1.79 -1.30 -3.51 116.57 115.50 1uqr h LYS 145 Ca -0.00 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1uqr h LYS 145 Cb 0.42 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1uqr h LYS 145 CO 0.03 1.01 0.00 -0.89 -1.08 0.00 0.00 179.45 178.51