#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xuq s HIS 4 N 0.00 3.54 0.09 2.13 3.76 -1.26 -5.03 115.29 118.52 1xuq s HIS 4 Ca 0.00 1.67 0.07 0.00 -0.15 0.00 0.00 55.06 56.65 1xuq s HIS 4 Cb 0.00 -3.32 -0.03 0.00 1.11 0.00 0.00 32.58 30.34 1xuq s HIS 4 CO 0.00 -0.66 -0.18 -1.21 -0.85 0.00 0.00 174.74 171.84 1xuq s GLU 5 N -1.44 1.01 -0.12 1.40 2.02 -1.26 -4.96 118.70 115.35 1xuq s GLU 5 Ca 0.45 -1.07 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 1xuq s GLU 5 Cb -0.33 -1.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.71 1xuq s GLU 5 CO 0.42 0.27 1.35 -1.17 0.02 0.00 0.00 175.26 176.15 1xuq s LEU 6 N -1.80 4.23 0.33 1.80 2.96 -1.26 -5.01 118.68 119.93 1xuq s LEU 6 Ca 0.03 1.84 -0.28 0.00 -0.22 0.00 0.00 54.13 55.51 1xuq s LEU 6 Cb -0.10 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 1xuq s LEU 6 CO 0.03 -0.78 1.18 -2.16 -1.32 0.00 0.00 176.35 173.30 1xuq s PRO 7 N 3.46 4.37 0.60 0.98 0.04 -1.26 -5.01 135.00 138.19 1xuq s PRO 7 Ca 0.59 1.93 -0.18 0.00 0.04 0.00 0.00 61.00 63.38 1xuq s PRO 7 Cb -0.25 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1xuq s PRO 7 CO 0.19 -0.08 1.20 -0.80 0.04 0.00 0.00 177.00 177.56 1xuq s ASN 8 N -0.85 5.13 0.58 6.66 0.01 -1.26 -5.00 114.94 120.21 1xuq s ASN 8 Ca 0.50 2.37 -0.20 0.00 -0.71 0.00 0.00 52.86 54.82 1xuq s ASN 8 Cb -0.34 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.69 1xuq s ASN 8 CO 0.44 -1.63 1.27 -0.76 -1.51 0.00 0.00 177.10 174.90 1xuq s LEU 9 N -4.17 3.72 0.00 0.60 1.43 -1.26 -4.94 118.68 114.07 1xuq s LEU 9 Ca 0.77 2.54 0.22 0.00 -1.03 0.00 0.00 54.13 56.63 1xuq s LEU 9 Cb -0.30 -4.49 1.33 0.00 0.03 0.00 0.00 46.19 42.77 1xuq s LEU 9 CO 0.34 -1.63 1.73 -2.65 0.23 0.00 0.00 176.35 174.36 1xuq n PRO 10 N -1.42 0.76 -3.84 1.29 -0.02 -1.26 -4.88 135.00 125.63 1xuq n PRO 10 Ca 0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1xuq n PRO 10 Cb 0.48 -1.46 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 1xuq n PRO 10 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1xuq s TYR 11 N -2.00 0.02 0.83 6.00 -0.85 -1.26 -5.09 117.35 114.99 1xuq s TYR 11 Ca 0.33 -0.39 -0.12 0.00 -0.52 0.00 0.00 57.07 56.38 1xuq s TYR 11 Cb 0.15 0.39 0.09 0.00 0.38 0.00 0.00 41.96 42.97 1xuq s TYR 11 CO 0.26 -1.00 1.15 0.00 -1.52 0.00 0.00 175.55 174.44 1xuq s ALA 12 N -3.93 1.85 0.44 9.51 0.00 -1.26 -4.93 121.76 123.44 1xuq s ALA 12 Ca 0.13 0.59 0.20 0.00 0.00 0.00 0.00 51.96 52.88 1xuq s ALA 12 Cb -0.02 -3.41 1.19 0.00 0.00 0.00 0.00 23.12 20.88 1xuq s ALA 12 CO 0.03 -2.26 2.03 1.88 0.00 0.00 0.00 175.76 177.43 1xuq h TYR 13 N -1.25 0.00 -0.58 0.00 -1.99 -1.99 -2.08 116.97 109.09 1xuq h TYR 13 Ca -0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1xuq h TYR 13 Cb 1.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.00 1xuq h TYR 13 CO 0.51 0.16 0.00 -0.40 -0.00 0.00 0.00 178.16 178.44 1xuq n ASP 14 N -4.04 3.20 0.24 3.88 5.75 -1.26 -4.18 116.55 120.13 1xuq n ASP 14 Ca -0.02 -2.04 0.12 0.00 -0.01 0.00 0.00 54.79 52.84 1xuq n ASP 14 Cb 0.24 -0.40 0.51 0.00 -1.03 0.00 0.00 41.12 40.44 1xuq n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xuq h ALA 15 N 4.04 1.01 -0.59 2.12 0.00 -1.73 -2.76 119.26 121.35 1xuq h ALA 15 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xuq h ALA 15 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xuq h ALA 15 CO 0.02 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1xuq n LEU 16 N -3.29 3.34 -4.77 0.00 4.77 -1.26 -4.41 117.00 111.38 1xuq n LEU 16 Ca 0.00 -1.67 -0.36 0.00 -0.03 0.00 0.00 56.01 53.95 1xuq n LEU 16 Cb 0.40 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1xuq n LEU 16 CO 0.32 0.79 0.80 -1.61 -1.33 0.00 0.00 177.39 176.35 1xuq s GLU 17 N -1.28 3.53 0.00 3.23 0.41 -1.04 -1.10 118.70 122.45 1xuq s GLU 17 Ca 0.41 1.67 0.14 0.00 -0.41 0.00 0.00 54.97 56.78 1xuq s GLU 17 Cb 0.22 -2.17 0.61 0.00 -1.78 0.00 0.00 34.13 31.01 1xuq s GLU 17 CO 0.26 -0.71 1.43 -0.35 -0.49 0.00 0.00 175.26 175.40 1xuq n PRO 18 N -0.95 1.45 -0.00 0.39 -0.04 -1.26 -4.90 135.00 129.68 1xuq n PRO 18 Ca 0.10 -0.69 -0.11 0.00 -0.04 0.00 0.00 63.50 62.76 1xuq n PRO 18 Cb 0.50 -1.28 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 1xuq n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xuq h HIS 19 N 1.27 -0.08 -3.32 0.54 3.86 -1.47 -3.41 115.15 112.53 1xuq h HIS 19 Ca 0.00 -0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1xuq h HIS 19 Cb 0.28 0.03 -0.29 0.00 1.06 0.00 0.00 27.41 28.49 1xuq h HIS 19 CO 0.09 0.50 -0.76 -0.06 0.86 0.00 0.00 177.93 178.57 1xuq s PHE 20 N -3.10 2.91 0.55 2.45 0.08 -0.52 -4.91 117.98 115.43 1xuq s PHE 20 Ca -0.14 -1.06 -0.19 0.00 0.12 0.00 0.00 56.93 55.66 1xuq s PHE 20 Cb -0.00 -2.04 -0.06 0.00 -0.57 0.00 0.00 43.02 40.35 1xuq s PHE 20 CO 0.55 -0.57 1.11 0.16 -0.10 0.00 0.00 175.22 176.36 1xuq s ASP 21 N 1.33 5.79 0.40 1.36 -4.77 -1.26 -3.26 116.67 116.25 1xuq s ASP 21 Ca 0.04 2.09 0.19 0.00 -3.30 0.00 0.00 52.55 51.57 1xuq s ASP 21 Cb -0.14 -2.57 0.86 0.00 -1.09 0.00 0.00 42.92 39.97 1xuq s ASP 21 CO -0.04 -1.17 1.83 0.07 0.70 0.00 0.00 175.17 176.56 1xuq h LYS 22 N 1.12 0.00 -0.35 2.11 2.10 -1.92 -1.52 116.57 118.10 1xuq h LYS 22 Ca -0.49 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.07 1xuq h LYS 22 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1xuq h LYS 22 CO 0.57 0.32 -0.13 0.93 -2.00 0.00 0.00 179.45 179.15 1xuq h GLU 23 N 0.00 0.71 -0.12 0.07 3.07 -1.92 -1.90 114.58 114.48 1xuq h GLU 23 Ca -0.00 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 1xuq h GLU 23 Cb 0.70 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1xuq h GLU 23 CO 0.04 0.89 0.02 1.15 -1.40 0.00 0.00 179.01 179.71 1xuq h THR 24 N 0.50 1.21 -0.65 1.13 2.02 -1.88 -1.62 112.91 113.62 1xuq h THR 24 Ca 0.08 -0.66 0.10 0.00 0.77 0.00 0.00 66.41 66.71 1xuq h THR 24 Cb 0.65 1.43 -0.08 0.00 -1.74 0.00 0.00 68.15 68.41 1xuq h THR 24 CO 0.04 0.19 0.25 0.24 0.37 0.00 0.00 175.52 176.61 1xuq h MET 25 N -0.02 0.41 0.36 6.66 2.86 -1.18 0.32 114.93 124.33 1xuq h MET 25 Ca 0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1xuq h MET 25 Cb 0.28 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1xuq h MET 25 CO 0.00 0.27 -0.36 -0.97 1.06 0.00 0.00 176.91 176.91 1xuq h ASN 26 N 0.42 -0.99 -0.66 1.22 -0.00 -1.20 -2.16 115.58 112.21 1xuq h ASN 26 Ca 0.33 0.08 -0.05 0.00 -0.00 0.00 0.00 56.30 56.66 1xuq h ASN 26 Cb 0.43 0.33 -0.03 0.00 -0.00 0.00 0.00 38.32 39.05 1xuq h ASN 26 CO -0.33 -0.47 0.21 0.40 -0.00 0.00 0.00 177.43 177.24 1xuq h ILE 27 N -0.72 1.25 -0.66 2.57 2.04 -1.02 0.18 117.51 121.16 1xuq h ILE 27 Ca -0.04 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1xuq h ILE 27 Cb 0.62 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1xuq h ILE 27 CO -0.05 0.33 0.39 -0.74 0.00 0.00 0.00 178.15 178.09 1xuq h HIS 28 N 0.95 0.87 0.00 1.37 2.76 -0.43 -0.77 115.15 119.91 1xuq h HIS 28 Ca 0.21 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1xuq h HIS 28 Cb 0.29 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1xuq h HIS 28 CO 0.02 0.59 -0.01 1.25 -1.30 0.00 0.00 177.93 178.48 1xuq h HIS 29 N 0.89 0.00 0.00 5.26 -0.00 -1.30 -1.49 115.15 118.51 1xuq h HIS 29 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1xuq h HIS 29 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1xuq h HIS 29 CO -0.02 0.56 -0.46 0.25 -0.00 0.00 0.00 177.93 178.26 1xuq n THR 30 N -4.68 0.16 -0.00 6.26 -2.24 0.62 -2.77 114.28 111.63 1xuq n THR 30 Ca -0.06 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 1xuq n THR 30 Cb 0.27 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1xuq n THR 30 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xuq n LYS 31 N -1.76 0.17 0.39 -0.78 4.76 -0.38 -4.56 118.16 116.01 1xuq n LYS 31 Ca 0.05 0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.39 1xuq n LYS 31 Cb 0.38 -0.77 -0.08 0.00 -1.84 0.00 0.00 35.03 32.72 1xuq n LYS 31 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xuq h HIS 32 N -0.32 -0.92 0.01 2.13 3.86 -1.32 -1.12 115.15 117.45 1xuq h HIS 32 Ca 0.00 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1xuq h HIS 32 Cb 0.32 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1xuq h HIS 32 CO -0.14 -0.55 -0.00 1.25 0.86 0.00 0.00 177.93 179.35 1xuq h HIS 33 N -1.14 -0.01 -0.95 2.45 -0.00 -1.30 -2.39 115.15 111.82 1xuq h HIS 33 Ca -0.10 -0.00 0.23 0.00 -0.00 0.00 0.00 60.37 60.50 1xuq h HIS 33 Cb 0.78 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 28.07 1xuq h HIS 33 CO -0.00 0.10 0.49 -0.97 -0.00 0.00 0.00 177.93 177.55 1xuq h ASN 34 N -0.11 0.50 -0.31 3.26 -0.00 -1.58 -2.11 115.58 115.23 1xuq h ASN 34 Ca -0.00 0.15 -0.14 0.00 -0.00 0.00 0.00 56.30 56.31 1xuq h ASN 34 Cb 0.11 0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 38.50 1xuq h ASN 34 CO 0.00 0.05 -0.31 0.74 -0.00 0.00 0.00 177.43 177.91 1xuq h THR 35 N 0.49 1.28 -0.92 -3.57 2.02 -0.72 -1.34 112.91 110.14 1xuq h THR 35 Ca 0.60 -1.47 0.06 0.00 0.77 0.00 0.00 66.41 66.37 1xuq h THR 35 Cb 1.14 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 68.81 1xuq h THR 35 CO -0.50 0.49 0.58 1.88 0.37 0.00 0.00 175.52 178.34 1xuq h TYR 36 N 0.70 1.08 -0.33 3.16 0.05 -0.93 -1.31 116.97 119.40 1xuq h TYR 36 Ca 0.08 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 1xuq h TYR 36 Cb 0.87 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 1xuq h TYR 36 CO 0.05 0.56 -0.02 0.82 -1.05 0.00 0.00 178.16 178.51 1xuq h ILE 37 N 1.07 1.27 -0.09 -2.88 2.04 -1.11 0.27 117.51 118.06 1xuq h ILE 37 Ca 0.40 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1xuq h ILE 37 Cb 0.16 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1xuq h ILE 37 CO -0.17 0.33 -0.05 0.74 0.00 0.00 0.00 178.15 179.00 1xuq h THR 38 N 0.39 0.84 -0.47 -0.27 2.02 -1.05 -0.75 112.91 113.62 1xuq h THR 38 Ca 0.09 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 1xuq h THR 38 Cb 0.49 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1xuq h THR 38 CO 0.02 0.00 0.07 0.78 0.37 0.00 0.00 175.52 176.76 1xuq h ASN 39 N -0.04 0.68 0.03 4.18 2.35 -1.14 -1.00 115.58 120.64 1xuq h ASN 39 Ca 0.05 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1xuq h ASN 39 Cb 0.12 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1xuq h ASN 39 CO -0.12 0.71 -0.02 0.25 -1.65 0.00 0.00 177.43 176.60 1xuq h LEU 40 N 0.70 -0.04 -0.68 1.61 5.85 -0.73 -2.17 115.31 119.85 1xuq h LEU 40 Ca 0.15 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1xuq h LEU 40 Cb 0.33 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1xuq h LEU 40 CO 0.00 0.21 0.41 0.78 -0.34 0.00 0.00 178.44 179.51 1xuq h ASN 41 N -0.29 0.67 -0.63 1.25 2.35 -0.88 -1.66 115.58 116.39 1xuq h ASN 41 Ca -0.00 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1xuq h ASN 41 Cb 0.27 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 1xuq h ASN 41 CO 0.01 0.46 0.35 0.00 -1.65 0.00 0.00 177.43 176.60 1xuq h ALA 42 N 1.30 0.84 -0.21 -0.83 0.00 -1.15 -2.44 119.26 116.77 1xuq h ALA 42 Ca 0.28 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1xuq h ALA 42 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xuq h ALA 42 CO -0.12 0.04 -0.15 0.00 0.00 0.00 0.00 179.25 179.02 1xuq h ALA 43 N 1.32 1.36 -0.01 0.00 0.00 -0.84 -2.86 119.26 118.24 1xuq h ALA 43 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xuq h ALA 43 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xuq h ALA 43 CO -0.17 0.44 -0.13 1.28 0.00 0.00 0.00 179.25 180.67 1xuq n LEU 44 N -4.22 1.06 -4.66 0.00 4.77 -0.67 -4.83 117.00 108.45 1xuq n LEU 44 Ca -0.00 -0.29 -0.46 0.00 -0.03 0.00 0.00 56.01 55.22 1xuq n LEU 44 Cb 0.31 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1xuq n LEU 44 CO 0.39 0.19 1.57 -0.62 -1.33 0.00 0.00 177.39 177.59 1xuq n GLU 45 N -0.42 2.28 -0.07 3.23 1.02 -1.02 -1.52 120.64 124.13 1xuq n GLU 45 Ca 0.16 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 1xuq n GLU 45 Cb 0.33 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 28.97 1xuq n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xuq n GLY 46 N 4.68 0.79 2.64 0.62 0.00 -1.26 -5.03 105.19 107.63 1xuq n GLY 46 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1xuq n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xuq s HIS 47 N -2.06 2.06 0.06 1.61 3.76 -0.58 -5.00 115.29 115.15 1xuq s HIS 47 Ca 0.00 -2.61 -0.23 0.00 -0.15 0.00 0.00 55.06 52.08 1xuq s HIS 47 Cb 0.00 -1.74 -0.14 0.00 1.11 0.00 0.00 32.58 31.80 1xuq s HIS 47 CO 0.00 -0.73 1.59 0.00 -0.85 0.00 0.00 174.74 174.75 1xuq h ALA 48 N 6.01 0.08 -0.36 -1.40 0.00 -1.96 -2.43 119.26 119.20 1xuq h ALA 48 Ca 0.13 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xuq h ALA 48 Cb 0.88 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1xuq h ALA 48 CO 0.50 -0.33 -0.20 0.39 0.00 0.00 0.00 179.25 179.60 1xuq n GLU 49 N -4.95 -0.15 -0.01 0.00 4.71 -1.26 -2.19 120.64 116.78 1xuq n GLU 49 Ca -0.06 0.55 -0.16 0.00 -0.01 0.00 0.00 57.16 57.47 1xuq n GLU 49 Cb 0.11 -0.81 -0.12 0.00 -1.01 0.00 0.00 31.44 29.62 1xuq n GLU 49 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1xuq h LEU 50 N 0.00 0.33 0.00 -4.62 3.38 -1.87 -3.25 115.31 109.28 1xuq h LEU 50 Ca 0.07 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1xuq h LEU 50 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xuq h LEU 50 CO -0.34 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1xuq n ALA 51 N -2.57 2.00 0.30 1.53 0.00 -0.93 0.96 120.51 121.80 1xuq n ALA 51 Ca -0.10 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1xuq n ALA 51 Cb 0.58 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 1xuq n ALA 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xuq n ASP 52 N -0.68 0.43 -4.81 0.00 4.64 -1.08 -4.99 116.55 110.06 1xuq n ASP 52 Ca 0.04 -0.13 -0.34 0.00 -1.38 0.00 0.00 54.79 52.98 1xuq n ASP 52 Cb 0.02 1.28 -0.06 0.00 -1.04 0.00 0.00 41.12 41.32 1xuq n ASP 52 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1xuq s LYS 53 N -3.34 4.20 0.89 -0.67 1.02 0.27 -5.05 119.74 117.06 1xuq s LYS 53 Ca -0.02 1.23 -0.11 0.00 0.02 0.00 0.00 55.97 57.10 1xuq s LYS 53 Cb 0.14 -2.30 0.13 0.00 -0.52 0.00 0.00 37.83 35.28 1xuq s LYS 53 CO 0.85 -0.07 1.12 -1.54 -0.92 0.00 0.00 175.35 174.79 1xuq s SER 54 N -2.00 3.29 0.29 2.83 1.04 -1.26 -4.85 113.70 113.05 1xuq s SER 54 Ca 0.61 1.96 0.10 0.00 0.48 0.00 0.00 55.95 59.11 1xuq s SER 54 Cb -0.13 -2.50 0.43 0.00 0.10 0.00 0.00 66.02 63.93 1xuq s SER 54 CO 0.17 -2.83 1.66 1.62 0.98 0.00 0.00 173.24 174.85 1xuq h VAL 55 N -1.68 1.40 -0.49 5.02 3.04 -1.96 -1.63 116.25 119.95 1xuq h VAL 55 Ca -0.45 -1.91 -0.11 0.00 -1.01 0.00 0.00 66.70 63.22 1xuq h VAL 55 Cb 1.26 2.02 -0.01 0.00 -2.01 0.00 0.00 31.29 32.55 1xuq h VAL 55 CO 0.46 0.55 -0.14 -0.33 -1.01 0.00 0.00 177.57 177.10 1xuq h GLU 56 N 0.02 0.97 -0.69 4.17 3.07 -1.93 -1.68 114.58 118.50 1xuq h GLU 56 Ca -0.01 -0.38 0.02 0.00 -0.50 0.00 0.00 59.36 58.49 1xuq h GLU 56 Cb 0.99 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.81 1xuq h GLU 56 CO 0.07 1.05 0.45 1.49 -1.40 0.00 0.00 179.01 180.67 1xuq h GLU 57 N 0.83 0.87 -0.29 2.33 4.81 -1.88 -0.92 114.58 120.33 1xuq h GLU 57 Ca 0.12 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1xuq h GLU 57 Cb 0.71 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1xuq h GLU 57 CO 0.05 0.58 0.18 1.25 -0.73 0.00 0.00 179.01 180.34 1xuq h LEU 58 N 0.90 0.30 -0.50 1.64 5.85 -0.96 -2.73 115.31 119.81 1xuq h LEU 58 Ca 0.26 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.82 1xuq h LEU 58 Cb -0.06 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1xuq h LEU 58 CO -0.07 0.22 -0.75 0.58 -0.34 0.00 0.00 178.44 178.07 1xuq h VAL 59 N 0.36 1.54 -0.44 1.05 2.07 -1.28 -3.00 116.25 116.54 1xuq h VAL 59 Ca 0.11 -2.57 -0.06 0.00 0.82 0.00 0.00 66.70 65.00 1xuq h VAL 59 Cb -0.02 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1xuq h VAL 59 CO -0.04 0.73 0.04 0.00 0.02 0.00 0.00 177.57 178.33 1xuq h ALA 60 N 1.25 1.24 -1.48 1.67 0.00 -0.99 -3.28 119.26 117.66 1xuq h ALA 60 Ca -0.01 -0.22 -0.61 0.00 0.00 0.00 0.00 54.91 54.07 1xuq h ALA 60 Cb 1.33 -0.18 -0.40 0.00 0.00 0.00 0.00 17.79 18.53 1xuq h ALA 60 CO 0.10 0.51 -0.48 0.09 0.00 0.00 0.00 179.25 179.47 1xuq n ASN 61 N -4.26 5.09 0.14 0.00 3.02 -1.04 -4.49 115.26 113.73 1xuq n ASN 61 Ca 0.03 -3.73 0.04 0.00 -0.03 0.00 0.00 54.58 50.88 1xuq n ASN 61 Cb 0.26 -0.55 0.45 0.00 -0.61 0.00 0.00 39.78 39.33 1xuq n ASN 61 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1xuq h LEU 62 N 2.66 0.18 -2.18 3.41 5.85 -1.59 -1.98 115.31 121.67 1xuq h LEU 62 Ca 0.33 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1xuq h LEU 62 Cb 0.78 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1xuq h LEU 62 CO 0.93 0.28 0.10 -0.55 -0.34 0.00 0.00 178.44 178.85 1xuq h ASN 63 N 0.20 0.00 -0.01 1.25 -1.07 -1.88 -1.09 115.58 112.98 1xuq h ASN 63 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.41 1xuq h ASN 63 Cb 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 1xuq h ASN 63 CO 0.01 0.00 0.00 -0.62 0.07 0.00 0.00 177.43 176.89 1xuq n GLU 64 N -4.15 1.19 -2.83 4.14 1.02 -0.74 -4.81 120.64 114.45 1xuq n GLU 64 Ca -0.00 -0.28 -0.41 0.00 -0.02 0.00 0.00 57.16 56.45 1xuq n GLU 64 Cb 0.21 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1xuq n GLU 64 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xuq s VAL 65 N -2.00 4.87 0.32 2.62 1.01 -0.41 -5.00 120.40 121.81 1xuq s VAL 65 Ca 0.45 1.85 -0.27 0.00 0.00 0.00 0.00 61.98 64.00 1xuq s VAL 65 Cb 0.21 -4.22 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1xuq s VAL 65 CO 0.36 0.22 1.08 -2.65 0.00 0.00 0.00 175.10 174.11 1xuq n PRO 66 N 3.63 1.55 -0.31 2.72 -0.02 -1.26 -4.67 135.00 136.64 1xuq n PRO 66 Ca 0.03 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 1xuq n PRO 66 Cb 0.51 -1.99 0.29 0.00 -0.02 0.00 0.00 33.50 32.29 1xuq n PRO 66 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xuq h GLU 67 N 2.07 0.86 0.00 -0.52 4.22 -1.94 -1.56 114.58 117.72 1xuq h GLU 67 Ca -0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 58.96 1xuq h GLU 67 Cb 1.33 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1xuq h GLU 67 CO 0.60 0.57 -0.05 0.00 -2.18 0.00 0.00 179.01 177.96 1xuq h ALA 68 N 1.56 1.79 -0.10 2.92 0.00 -2.04 -2.60 119.26 120.79 1xuq h ALA 68 Ca 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1xuq h ALA 68 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xuq h ALA 68 CO -0.21 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.54 1xuq n ILE 69 N -4.30 0.38 -0.16 0.00 -5.35 -0.79 -4.82 119.36 104.32 1xuq n ILE 69 Ca -0.03 -0.69 -0.08 0.00 -0.27 0.00 0.00 62.75 61.68 1xuq n ILE 69 Cb 0.13 0.91 0.01 0.00 -1.74 0.00 0.00 39.64 38.95 1xuq n ILE 69 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1xuq h ARG 70 N 1.52 0.68 -0.68 6.28 2.43 -0.90 -0.97 114.38 122.74 1xuq h ARG 70 Ca 0.00 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1xuq h ARG 70 Cb 0.46 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1xuq h ARG 70 CO 0.00 0.57 0.38 1.15 -1.51 0.00 0.00 179.97 180.57 1xuq h THR 71 N 0.62 1.21 -0.74 0.20 2.02 -1.88 0.25 112.91 114.59 1xuq h THR 71 Ca 0.16 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1xuq h THR 71 Cb 0.12 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1xuq h THR 71 CO -0.02 0.22 0.33 0.00 0.37 0.00 0.00 175.52 176.42 1xuq h ALA 72 N 1.19 1.19 -0.06 6.16 0.00 -1.81 -1.28 119.26 124.65 1xuq h ALA 72 Ca 0.24 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 1xuq h ALA 72 Cb 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xuq h ALA 72 CO -0.04 0.60 -0.94 0.28 0.00 0.00 0.00 179.25 179.15 1xuq h VAL 73 N 1.06 1.28 -0.48 0.00 2.07 -0.75 -1.52 116.25 117.90 1xuq h VAL 73 Ca 0.25 -2.14 0.07 0.00 0.82 0.00 0.00 66.70 65.71 1xuq h VAL 73 Cb 0.15 2.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 1xuq h VAL 73 CO -0.03 0.67 0.14 -0.09 0.02 0.00 0.00 177.57 178.28 1xuq h ARG 74 N 0.46 0.28 0.08 1.57 2.43 -0.32 0.17 114.38 119.05 1xuq h ARG 74 Ca -0.10 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.88 1xuq h ARG 74 Cb 1.58 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 1xuq h ARG 74 CO 0.19 0.19 -0.86 -0.91 -1.51 0.00 0.00 179.97 177.06 1xuq h ASN 75 N 0.29 0.26 0.26 -3.80 2.35 -1.20 -2.12 115.58 111.62 1xuq h ASN 75 Ca 0.24 -0.87 -0.34 0.00 -0.55 0.00 0.00 56.30 54.78 1xuq h ASN 75 Cb 0.28 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1xuq h ASN 75 CO -0.28 1.38 -1.71 0.78 -1.65 0.00 0.00 177.43 175.95 1xuq h ASN 76 N -0.60 0.53 -0.46 5.81 2.35 -1.37 -1.06 115.58 120.79 1xuq h ASN 76 Ca -0.19 -0.81 -0.01 0.00 -0.55 0.00 0.00 56.30 54.75 1xuq h ASN 76 Cb 1.47 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 1xuq h ASN 76 CO 0.03 1.68 0.26 1.23 -1.65 0.00 0.00 177.43 178.99 1xuq h GLY 77 N 1.05 0.67 0.92 2.83 0.00 -0.76 -0.64 103.07 107.13 1xuq h GLY 77 Ca -0.32 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1xuq h GLY 77 CO 0.17 0.28 0.07 -1.33 0.00 0.00 0.00 176.54 175.73 1xuq h GLY 78 N 0.60 0.20 1.01 4.60 0.00 -1.22 -1.03 103.07 107.23 1xuq h GLY 78 Ca 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1xuq h GLY 78 CO -0.03 0.04 0.51 -1.33 0.00 0.00 0.00 176.54 175.74 1xuq h GLY 79 N 0.16 1.11 0.77 4.60 0.00 -1.09 0.58 103.07 109.20 1xuq h GLY 79 Ca 0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1xuq h GLY 79 CO -0.05 0.42 -0.12 0.84 0.00 0.00 0.00 176.54 177.63 1xuq h HIS 80 N 1.07 0.45 -0.17 5.60 6.17 -0.78 -1.83 115.15 125.66 1xuq h HIS 80 Ca 0.29 -0.12 -0.01 0.00 0.71 0.00 0.00 60.37 61.24 1xuq h HIS 80 Cb -0.11 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 29.72 1xuq h HIS 80 CO -0.02 0.72 0.09 0.00 0.71 0.00 0.00 177.93 179.43 1xuq h ALA 81 N 0.65 0.22 -0.20 5.26 0.00 -1.09 -1.21 119.26 122.89 1xuq h ALA 81 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xuq h ALA 81 Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xuq h ALA 81 CO 0.03 -0.23 0.12 -0.91 0.00 0.00 0.00 179.25 178.27 1xuq h ASN 82 N 0.15 0.23 -0.28 0.00 2.35 -0.89 -2.04 115.58 115.12 1xuq h ASN 82 Ca 0.06 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1xuq h ASN 82 Cb 0.10 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1xuq h ASN 82 CO -0.01 0.20 -0.27 0.45 -1.65 0.00 0.00 177.43 176.14 1xuq h HIS 83 N 0.25 0.81 -0.56 1.19 3.86 -1.33 -1.13 115.15 118.23 1xuq h HIS 83 Ca 0.07 -0.24 0.11 0.00 -1.16 0.00 0.00 60.37 59.15 1xuq h HIS 83 Cb 0.00 -0.17 -0.11 0.00 1.06 0.00 0.00 27.41 28.19 1xuq h HIS 83 CO -0.06 0.98 -0.16 1.15 0.86 0.00 0.00 177.93 180.70 1xuq h THR 84 N 0.41 0.41 -0.27 2.45 2.02 -1.19 -2.08 112.91 114.66 1xuq h THR 84 Ca 0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.25 1xuq h THR 84 Cb 0.84 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1xuq h THR 84 CO 0.07 0.00 0.11 0.15 0.37 0.00 0.00 175.52 176.22 1xuq h PHE 85 N -0.02 0.20 -0.33 3.16 3.57 -1.26 -3.22 116.94 119.03 1xuq h PHE 85 Ca 0.27 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.82 1xuq h PHE 85 Cb 0.43 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1xuq h PHE 85 CO -0.48 0.10 0.11 0.35 -2.23 0.00 0.00 178.31 176.15 1xuq h PHE 86 N 0.24 0.19 -0.42 0.41 3.57 -0.57 -1.89 116.94 118.46 1xuq h PHE 86 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1xuq h PHE 86 Cb 0.07 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1xuq h PHE 86 CO -0.12 0.07 0.28 -1.49 -2.23 0.00 0.00 178.31 174.83 1xuq h TRP 87 N 0.24 0.50 0.00 0.41 -0.00 -1.41 -2.41 115.95 113.28 1xuq h TRP 87 Ca 0.15 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.05 1xuq h TRP 87 Cb 0.13 -0.17 0.00 0.00 -0.00 0.00 0.00 29.16 29.12 1xuq h TRP 87 CO -0.15 0.30 0.00 0.25 -0.00 0.00 0.00 178.44 178.85 1xuq n THR 88 N -4.48 0.48 -0.83 1.49 -2.24 -0.72 -3.56 114.28 104.42 1xuq n THR 88 Ca 0.04 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1xuq n THR 88 Cb 0.10 -0.70 0.27 0.00 -2.10 0.00 0.00 70.33 67.89 1xuq n THR 88 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1xuq n ILE 89 N -1.90 2.11 -4.36 2.28 -6.64 -0.91 -4.88 119.36 105.05 1xuq n ILE 89 Ca 0.05 -1.64 -0.24 0.00 -1.77 0.00 0.00 62.75 59.15 1xuq n ILE 89 Cb 0.34 -0.11 -0.12 0.00 -1.44 0.00 0.00 39.64 38.31 1xuq n ILE 89 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 1xuq s LEU 90 N -2.46 2.41 -0.20 7.28 1.43 -1.23 -0.56 118.68 125.35 1xuq s LEU 90 Ca 0.41 -0.84 -0.28 0.00 -1.03 0.00 0.00 54.13 52.40 1xuq s LEU 90 Cb 0.31 -0.99 0.11 0.00 0.03 0.00 0.00 46.19 45.66 1xuq s LEU 90 CO 0.12 0.05 0.93 -0.55 0.23 0.00 0.00 176.35 177.12 1xuq s SER 91 N -2.54 -0.49 0.44 2.29 0.15 -0.11 -4.76 113.70 108.67 1xuq s SER 91 Ca 0.16 0.75 0.30 0.00 0.70 0.00 0.00 55.95 57.86 1xuq s SER 91 Cb -0.07 0.69 1.32 0.00 -1.71 0.00 0.00 66.02 66.25 1xuq s SER 91 CO 0.08 -0.30 1.90 1.55 1.20 0.00 0.00 173.24 177.66 1xuq h PRO 92 N 3.51 0.00 -0.79 5.44 0.13 -1.86 -2.01 132.00 136.42 1xuq h PRO 92 Ca -0.25 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.73 1xuq h PRO 92 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1xuq h PRO 92 CO 0.22 0.00 0.20 -1.71 -0.23 0.00 0.00 178.00 176.48 1xuq n ASN 93 N -2.71 4.38 -1.65 1.44 5.15 -1.26 -4.96 115.26 115.65 1xuq n ASN 93 Ca 0.01 -2.95 0.00 0.00 -0.60 0.00 0.00 54.58 51.03 1xuq n ASN 93 Cb 0.23 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 1xuq n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xuq n GLY 94 N 0.01 0.60 4.91 8.20 0.00 -0.76 -4.92 105.19 113.23 1xuq n GLY 94 Ca 0.32 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1xuq n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xuq n GLY 95 N 5.00 -2.15 7.00 -0.02 0.00 0.11 -4.74 105.19 110.39 1xuq n GLY 95 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1xuq n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xuq n GLY 96 N -0.16 -0.74 3.82 -0.02 0.00 -1.26 -4.68 105.19 102.15 1xuq n GLY 96 Ca 0.00 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1xuq n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xuq s GLN 97 N 0.00 4.21 0.81 1.61 -1.52 -1.26 -5.02 119.66 118.49 1xuq s GLN 97 Ca 0.00 1.09 -0.13 0.00 -1.95 0.00 0.00 55.36 54.36 1xuq s GLN 97 Cb 0.00 -2.20 0.08 0.00 -0.22 0.00 0.00 33.01 30.67 1xuq s GLN 97 CO 0.00 -0.02 1.16 -2.30 -0.25 0.00 0.00 175.29 173.88 1xuq n PRO 98 N -0.63 0.17 -4.50 2.91 -0.02 -1.26 -4.90 135.00 126.77 1xuq n PRO 98 Ca 0.07 0.13 -0.24 0.00 -2.02 0.00 0.00 63.50 61.44 1xuq n PRO 98 Cb 0.54 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 1xuq n PRO 98 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xuq s VAL 99 N -2.12 1.65 0.00 -1.45 -7.23 -1.26 -4.76 120.40 105.23 1xuq s VAL 99 Ca 0.73 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1xuq s VAL 99 Cb -0.29 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1xuq s VAL 99 CO 0.51 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 1xuq n GLY 100 N -0.76 -0.42 0.22 2.32 0.00 -1.26 -1.95 105.19 103.35 1xuq n GLY 100 Ca -0.04 -1.09 0.06 0.00 0.00 0.00 0.00 46.02 44.94 1xuq n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xuq h GLU 101 N 0.00 0.00 -0.56 1.61 5.08 -2.00 -2.76 114.58 115.94 1xuq h GLU 101 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1xuq h GLU 101 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1xuq h GLU 101 CO 0.00 0.23 0.31 1.25 -1.00 0.00 0.00 179.01 179.80 1xuq h LEU 102 N 0.00 0.70 -0.71 1.33 5.85 -1.90 -1.62 115.31 118.96 1xuq h LEU 102 Ca -0.00 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1xuq h LEU 102 Cb 0.44 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1xuq h LEU 102 CO 0.03 0.59 0.36 0.00 -0.34 0.00 0.00 178.44 179.08 1xuq h ALA 103 N 1.14 0.98 -0.40 1.25 0.00 -1.09 -0.20 119.26 120.95 1xuq h ALA 103 Ca 0.20 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1xuq h ALA 103 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xuq h ALA 103 CO -0.03 -0.03 -0.06 1.15 0.00 0.00 0.00 179.25 180.28 1xuq h THR 104 N 0.62 1.27 -0.63 0.00 2.02 -1.52 -1.99 112.91 112.68 1xuq h THR 104 Ca 0.35 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1xuq h THR 104 Cb 0.35 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1xuq h THR 104 CO -0.26 0.38 0.25 0.00 0.37 0.00 0.00 175.52 176.25 1xuq h ALA 105 N 0.86 0.81 -0.23 6.16 0.00 -0.92 -1.36 119.26 124.58 1xuq h ALA 105 Ca 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xuq h ALA 105 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xuq h ALA 105 CO 0.03 0.43 0.11 0.82 0.00 0.00 0.00 179.25 180.65 1xuq h ILE 106 N 0.88 0.99 -0.36 0.00 2.04 -0.98 -0.76 117.51 119.33 1xuq h ILE 106 Ca 0.21 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1xuq h ILE 106 Cb 0.21 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1xuq h ILE 106 CO -0.02 0.04 0.09 -0.33 0.00 0.00 0.00 178.15 177.94 1xuq h GLU 107 N 0.24 0.22 -0.19 2.37 5.08 -1.17 0.02 114.58 121.15 1xuq h GLU 107 Ca 0.09 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1xuq h GLU 107 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xuq h GLU 107 CO -0.06 0.15 0.11 0.00 -1.00 0.00 0.00 179.01 178.20 1xuq h ALA 108 N 1.25 0.25 -0.26 3.43 0.00 -1.13 0.23 119.26 123.03 1xuq h ALA 108 Ca 0.17 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1xuq h ALA 108 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xuq h ALA 108 CO -0.20 -0.23 -0.34 -0.22 0.00 0.00 0.00 179.25 178.27 1xuq h LYS 109 N 0.21 0.68 -0.00 0.00 1.63 -1.06 -3.36 116.57 114.67 1xuq h LYS 109 Ca 0.07 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1xuq h LYS 109 Cb 0.06 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1xuq h LYS 109 CO -0.01 1.00 -0.45 1.19 -3.45 0.00 0.00 179.45 177.73 1xuq n PHE 110 N -4.25 0.00 0.00 1.91 3.01 -0.01 -5.01 117.46 113.11 1xuq n PHE 110 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1xuq n PHE 110 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1xuq n PHE 110 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xuq n GLY 111 N 1.19 2.65 3.58 1.37 0.00 0.79 -4.53 105.19 110.24 1xuq n GLY 111 Ca 0.03 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 1xuq n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xuq s SER 112 N 0.00 -0.20 0.14 1.61 1.04 -1.25 -4.76 113.70 110.28 1xuq s SER 112 Ca 0.00 -0.63 -0.15 0.00 0.48 0.00 0.00 55.95 55.65 1xuq s SER 112 Cb 0.00 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1xuq s SER 112 CO 0.00 -1.11 1.70 0.15 0.98 0.00 0.00 173.24 174.96 1xuq h PHE 113 N 2.20 0.68 -0.79 5.02 3.57 -1.91 -2.30 116.94 123.41 1xuq h PHE 113 Ca -0.27 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.23 1xuq h PHE 113 Cb 1.26 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 1xuq h PHE 113 CO 0.38 0.58 0.52 -0.44 -2.23 0.00 0.00 178.31 177.12 1xuq h ASP 114 N 0.59 0.81 -0.43 0.41 3.32 -1.96 0.10 116.42 119.25 1xuq h ASP 114 Ca 0.15 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 1xuq h ASP 114 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1xuq h ASP 114 CO -0.01 0.55 -0.28 0.00 -1.72 0.00 0.00 179.24 177.78 1xuq h ALA 115 N 1.55 0.67 -0.03 3.45 0.00 -1.80 -1.90 119.26 121.19 1xuq h ALA 115 Ca 0.32 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xuq h ALA 115 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1xuq h ALA 115 CO -0.10 0.67 -0.07 0.35 0.00 0.00 0.00 179.25 180.11 1xuq h PHE 116 N 0.81 -0.17 -0.72 0.00 3.57 -0.77 -1.37 116.94 118.29 1xuq h PHE 116 Ca 0.09 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1xuq h PHE 116 Cb 0.86 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1xuq h PHE 116 CO 0.05 -0.11 0.43 0.87 -2.23 0.00 0.00 178.31 177.33 1xuq h LYS 117 N -0.10 0.80 -0.63 1.11 1.57 -0.77 -0.57 116.57 117.98 1xuq h LYS 117 Ca 0.04 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1xuq h LYS 117 Cb 0.16 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1xuq h LYS 117 CO -0.10 0.53 0.39 0.93 -0.57 0.00 0.00 179.45 180.63 1xuq h GLU 118 N 0.82 0.74 -0.41 3.15 5.08 -1.03 0.39 114.58 123.32 1xuq h GLU 118 Ca 0.31 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1xuq h GLU 118 Cb 0.11 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1xuq h GLU 118 CO -0.15 0.49 -0.05 1.49 -1.00 0.00 0.00 179.01 179.80 1xuq h GLU 119 N 0.76 0.75 -0.55 2.33 4.81 -0.52 -1.06 114.58 121.11 1xuq h GLU 119 Ca 0.25 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1xuq h GLU 119 Cb 0.02 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1xuq h GLU 119 CO -0.10 0.86 0.28 0.35 -0.73 0.00 0.00 179.01 179.67 1xuq h PHE 120 N 0.57 0.77 -0.78 0.92 3.57 -0.92 -1.76 116.94 119.31 1xuq h PHE 120 Ca 0.11 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1xuq h PHE 120 Cb 0.55 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1xuq h PHE 120 CO 0.04 0.58 0.44 0.00 -2.23 0.00 0.00 178.31 177.14 1xuq h ALA 121 N 1.12 1.00 -0.54 2.41 0.00 -0.78 -1.10 119.26 121.36 1xuq h ALA 121 Ca 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xuq h ALA 121 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1xuq h ALA 121 CO -0.03 0.50 0.14 -0.22 0.00 0.00 0.00 179.25 179.64 1xuq h LYS 122 N 1.08 0.87 -0.65 0.00 3.64 -1.02 0.40 116.57 120.88 1xuq h LYS 122 Ca 0.28 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1xuq h LYS 122 Cb 0.01 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1xuq h LYS 122 CO -0.05 0.82 0.41 0.00 -2.27 0.00 0.00 179.45 178.36 1xuq h ALA 123 N 1.01 0.83 -0.24 5.00 0.00 -0.94 -1.70 119.26 123.23 1xuq h ALA 123 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xuq h ALA 123 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xuq h ALA 123 CO 0.00 0.20 -0.01 0.78 0.00 0.00 0.00 179.25 180.22 1xuq h GLY 124 N 0.83 0.47 1.41 0.00 0.00 -1.05 -2.72 103.07 102.01 1xuq h GLY 124 Ca 0.25 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1xuq h GLY 124 CO -0.08 0.32 0.00 0.00 0.00 0.00 0.00 176.54 176.78 1xuq h ALA 125 N 0.79 1.17 -0.01 3.60 0.00 -0.80 -3.13 119.26 120.88 1xuq h ALA 125 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xuq h ALA 125 Cb 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xuq h ALA 125 CO 0.01 0.54 -0.09 0.25 0.00 0.00 0.00 179.25 179.96 1xuq n THR 126 N -4.23 0.00 -2.26 0.00 -2.24 -0.65 -4.73 114.28 100.17 1xuq n THR 126 Ca 0.02 -0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1xuq n THR 126 Cb 0.29 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1xuq n THR 126 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1xuq s ARG 127 N -2.22 2.96 -0.15 -0.78 6.06 -1.03 -4.95 118.95 118.85 1xuq s ARG 127 Ca 0.33 0.37 -0.29 0.00 -2.50 0.00 0.00 55.73 53.64 1xuq s ARG 127 Cb 0.20 -4.26 -0.00 0.00 0.06 0.00 0.00 34.95 30.94 1xuq s ARG 127 CO 0.41 -2.36 1.02 0.12 -2.50 0.00 0.00 175.30 171.99 1xuq s PHE 128 N 7.39 3.45 0.00 5.12 5.36 -1.26 -4.73 117.98 133.32 1xuq s PHE 128 Ca 0.55 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 58.07 1xuq s PHE 128 Cb -0.11 -3.22 0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1xuq s PHE 128 CO 0.21 -0.31 0.00 0.41 -1.46 0.00 0.00 175.22 174.06 1xuq n GLY 129 N 3.17 0.42 3.87 13.12 0.00 -1.26 -4.93 105.19 119.58 1xuq n GLY 129 Ca 0.10 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 1xuq n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xuq s SER 130 N -4.00 6.60 0.00 1.61 0.01 -1.26 -4.80 113.70 111.86 1xuq s SER 130 Ca 0.00 0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1xuq s SER 130 Cb 0.00 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1xuq s SER 130 CO 0.00 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.51 1xuq n GLY 131 N 1.23 -0.59 2.96 3.44 0.00 -1.26 -1.07 105.19 109.91 1xuq n GLY 131 Ca -0.11 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1xuq n GLY 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xuq s TRP 132 N -3.55 0.33 -0.03 1.61 0.52 -0.59 -0.57 118.94 116.65 1xuq s TRP 132 Ca 0.00 -0.27 0.01 0.00 0.02 0.00 0.00 56.10 55.86 1xuq s TRP 132 Cb 0.00 -0.21 -0.03 0.00 -1.15 0.00 0.00 33.47 32.08 1xuq s TRP 132 CO 0.00 -0.07 -0.05 0.00 0.02 0.00 0.00 176.95 176.85 1xuq s ALA 133 N -0.72 3.09 0.02 0.98 0.00 -0.49 -1.24 121.76 123.40 1xuq s ALA 133 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1xuq s ALA 133 Cb -0.05 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1xuq s ALA 133 CO -0.00 0.60 -0.03 -1.58 0.00 0.00 0.00 175.76 174.75 1xuq s TRP 134 N -0.93 0.29 -0.21 0.00 0.52 0.08 -0.63 118.94 118.06 1xuq s TRP 134 Ca 0.15 -0.49 -0.04 0.00 0.02 0.00 0.00 56.10 55.74 1xuq s TRP 134 Cb -0.11 -0.20 -0.01 0.00 -1.15 0.00 0.00 33.47 31.99 1xuq s TRP 134 CO 0.05 -0.17 -0.05 -1.17 0.02 0.00 0.00 176.95 175.64 1xuq s LEU 135 N -1.38 2.90 0.24 2.99 2.96 -0.21 -1.35 118.68 124.83 1xuq s LEU 135 Ca -0.14 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1xuq s LEU 135 Cb -0.09 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 1xuq s LEU 135 CO -0.01 -0.00 -0.12 0.68 -1.32 0.00 0.00 176.35 175.59 1xuq s VAL 136 N 1.36 1.77 -0.29 1.68 -7.23 -0.24 -0.21 120.40 117.24 1xuq s VAL 136 Ca 0.04 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 57.91 1xuq s VAL 136 Cb -0.14 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1xuq s VAL 136 CO -0.02 -0.46 0.19 -0.69 -0.31 0.00 0.00 175.10 173.81 1xuq s VAL 137 N -2.95 5.30 -0.47 1.32 1.01 -0.28 -0.88 120.40 123.45 1xuq s VAL 137 Ca 0.26 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1xuq s VAL 137 Cb 0.01 -3.55 0.12 0.00 0.00 0.00 0.00 36.38 32.96 1xuq s VAL 137 CO 0.10 0.22 0.25 0.21 0.00 0.00 0.00 175.10 175.88 1xuq s ASN 138 N 1.75 5.10 -1.23 3.32 3.04 0.69 -1.57 114.94 126.05 1xuq s ASN 138 Ca 0.07 -2.36 -0.04 0.00 0.04 0.00 0.00 52.86 50.57 1xuq s ASN 138 Cb -0.16 -1.79 -0.01 0.00 -1.54 0.00 0.00 41.25 37.74 1xuq s ASN 138 CO 0.11 -0.45 0.79 0.59 -3.04 0.00 0.00 177.10 175.10 1xuq n ASN 139 N 4.11 -2.70 0.00 -4.21 3.02 -1.26 -2.02 115.26 112.20 1xuq n ASN 139 Ca 0.02 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 1xuq n ASN 139 Cb 0.40 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 1xuq n ASN 139 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xuq n GLY 140 N -1.46 1.32 3.32 7.41 0.00 -1.26 -5.03 105.19 109.48 1xuq n GLY 140 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1xuq n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xuq s GLU 141 N -0.06 2.92 0.17 1.61 0.41 -0.86 -5.08 118.70 117.82 1xuq s GLU 141 Ca 0.00 -0.80 -0.30 0.00 -0.41 0.00 0.00 54.97 53.46 1xuq s GLU 141 Cb 0.00 -2.38 -0.08 0.00 -1.78 0.00 0.00 34.13 29.89 1xuq s GLU 141 CO 0.00 0.32 1.26 -0.51 -0.49 0.00 0.00 175.26 175.85 1xuq s LEU 142 N 0.01 4.42 -0.04 1.80 1.43 -1.26 -0.22 118.68 124.82 1xuq s LEU 142 Ca -0.07 2.29 -0.07 0.00 -1.03 0.00 0.00 54.13 55.25 1xuq s LEU 142 Cb -0.15 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.48 1xuq s LEU 142 CO 0.05 -0.47 0.18 -1.83 0.23 0.00 0.00 176.35 174.51 1xuq s GLU 143 N 0.05 0.34 -0.16 1.70 -1.05 -0.06 -4.94 118.70 114.58 1xuq s GLU 143 Ca 0.56 -0.00 -0.18 0.00 -0.15 0.00 0.00 54.97 55.20 1xuq s GLU 143 Cb -0.34 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.46 1xuq s GLU 143 CO 0.36 -0.07 0.47 0.08 0.95 0.00 0.00 175.26 177.06 1xuq s VAL 144 N -0.52 5.16 0.23 1.83 1.01 -1.26 -1.08 120.40 125.77 1xuq s VAL 144 Ca -0.06 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1xuq s VAL 144 Cb -0.04 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1xuq s VAL 144 CO 0.01 0.26 0.15 0.42 0.00 0.00 0.00 175.10 175.95 1xuq s THR 145 N 1.09 0.03 0.04 3.92 -4.23 -0.45 -5.00 115.64 111.02 1xuq s THR 145 Ca 0.24 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1xuq s THR 145 Cb -0.15 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1xuq s THR 145 CO 0.09 0.00 -0.06 -0.94 -0.54 0.00 0.00 174.62 173.17 1xuq s SER 146 N -3.20 0.64 0.03 3.99 1.04 -1.26 -0.74 113.70 114.20 1xuq s SER 146 Ca 0.39 -0.56 0.05 0.00 0.48 0.00 0.00 55.95 56.31 1xuq s SER 146 Cb 0.06 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1xuq s SER 146 CO 0.15 -0.26 -0.14 0.42 0.98 0.00 0.00 173.24 174.39 1xuq s THR 147 N -1.57 1.12 0.39 2.02 -4.23 -0.37 -5.00 115.64 108.01 1xuq s THR 147 Ca -0.11 -0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 59.23 1xuq s THR 147 Cb -0.09 -1.01 -0.11 0.00 1.34 0.00 0.00 72.50 72.64 1xuq s THR 147 CO -0.01 0.04 0.92 -2.16 -0.54 0.00 0.00 174.62 172.88 1xuq s PRO 148 N -1.05 4.28 6.08 3.99 0.04 -1.26 -1.54 135.00 145.54 1xuq s PRO 148 Ca 0.02 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1xuq s PRO 148 Cb -0.08 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1xuq s PRO 148 CO 0.01 0.06 0.00 0.09 0.04 0.00 0.00 177.00 177.20 1xuq n ASN 149 N -0.33 0.00 -1.12 6.66 5.03 -0.23 -1.69 115.26 123.58 1xuq n ASN 149 Ca 0.05 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.57 1xuq n ASN 149 Cb 0.53 0.00 0.28 0.00 -1.02 0.00 0.00 39.78 39.57 1xuq n ASN 149 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xuq n GLN 150 N 14.00 3.13 -1.85 3.52 1.13 -1.26 -4.28 117.38 131.77 1xuq n GLN 150 Ca 0.00 -2.93 -0.41 0.00 -1.94 0.00 0.00 57.00 51.71 1xuq n GLN 150 Cb 0.00 -1.93 -0.01 0.00 0.11 0.00 0.00 30.24 28.41 1xuq n GLN 150 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xuq s ASP 151 N -1.78 6.44 -0.06 1.08 -0.00 -0.68 -4.23 116.67 117.42 1xuq s ASP 151 Ca 0.45 2.93 0.01 0.00 -0.00 0.00 0.00 52.55 55.93 1xuq s ASP 151 Cb 0.36 -2.65 -0.03 0.00 -0.00 0.00 0.00 42.92 40.61 1xuq s ASP 151 CO 0.09 -0.83 -0.05 -0.55 -0.00 0.00 0.00 175.17 173.83 1xuq s SER 152 N 0.12 4.79 0.43 0.27 0.15 -1.26 -4.74 113.70 113.46 1xuq s SER 152 Ca 0.57 0.00 0.16 0.00 0.70 0.00 0.00 55.95 57.39 1xuq s SER 152 Cb -0.46 -1.23 1.07 0.00 -1.71 0.00 0.00 66.02 63.69 1xuq s SER 152 CO 0.54 0.35 1.91 -0.65 1.20 0.00 0.00 173.24 176.60 1xuq h PRO 153 N 5.11 0.39 -1.08 5.44 0.11 -1.96 -2.09 132.00 137.91 1xuq h PRO 153 Ca -0.49 -0.02 0.29 0.00 0.11 0.00 0.00 66.00 65.89 1xuq h PRO 153 Cb 1.18 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 1xuq h PRO 153 CO 0.53 0.26 0.72 -0.07 -0.21 0.00 0.00 178.00 179.23 1xuq h LEU 154 N 0.40 0.30 -1.36 2.35 3.38 -1.80 -0.05 115.31 118.53 1xuq h LEU 154 Ca 0.38 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.36 1xuq h LEU 154 Cb 0.91 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1xuq h LEU 154 CO -0.12 0.05 -0.27 0.74 0.09 0.00 0.00 178.44 178.93 1xuq h THR 155 N 0.26 0.82 -0.56 0.22 2.02 -1.50 -1.99 112.91 112.18 1xuq h THR 155 Ca 0.59 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1xuq h THR 155 Cb 1.76 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1xuq h THR 155 CO -0.21 0.26 0.00 -0.62 0.37 0.00 0.00 175.52 175.32 1xuq n GLU 156 N -3.68 4.65 -2.32 6.66 1.02 -0.10 -4.90 120.64 121.96 1xuq n GLU 156 Ca -0.01 -3.12 -0.19 0.00 -0.02 0.00 0.00 57.16 53.82 1xuq n GLU 156 Cb 0.38 -2.20 -0.01 0.00 -0.02 0.00 0.00 31.44 29.59 1xuq n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xuq n GLY 157 N 0.57 -0.32 3.51 0.62 0.00 -0.75 -5.01 105.19 103.81 1xuq n GLY 157 Ca 0.27 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1xuq n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xuq s LYS 158 N -4.88 2.39 -0.29 1.61 1.02 -0.80 -4.64 119.74 114.15 1xuq s LYS 158 Ca 0.00 -0.79 -0.09 0.00 0.02 0.00 0.00 55.97 55.11 1xuq s LYS 158 Cb 0.00 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1xuq s LYS 158 CO 0.00 0.59 0.13 0.99 -0.92 0.00 0.00 175.35 176.14 1xuq s THR 159 N -0.89 4.54 0.26 2.17 2.01 -0.61 -2.17 115.64 120.96 1xuq s THR 159 Ca 0.14 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1xuq s THR 159 Cb -0.11 -3.24 -0.11 0.00 0.01 0.00 0.00 72.50 69.05 1xuq s THR 159 CO 0.04 0.17 1.53 -2.84 -0.69 0.00 0.00 174.62 172.84 1xuq s PRO 160 N 1.62 4.19 -0.18 4.92 0.02 -1.26 -1.13 135.00 143.19 1xuq s PRO 160 Ca 0.05 2.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.41 1xuq s PRO 160 Cb -0.16 -3.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.21 1xuq s PRO 160 CO 0.06 -0.55 -0.26 0.28 -0.33 0.00 0.00 177.00 176.20 1xuq n VAL 161 N 2.45 1.21 -4.25 3.83 0.31 0.71 -4.87 118.33 117.71 1xuq n VAL 161 Ca 0.08 -0.14 -0.14 0.00 -0.01 0.00 0.00 64.34 64.13 1xuq n VAL 161 Cb 0.39 -1.88 -0.10 0.00 -0.91 0.00 0.00 33.84 31.33 1xuq n VAL 161 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1xuq s ILE 162 N -2.46 1.06 0.13 2.52 -4.36 -1.10 -4.61 121.20 112.38 1xuq s ILE 162 Ca -0.26 -2.04 -0.23 0.00 -0.26 0.00 0.00 60.65 57.86 1xuq s ILE 162 Cb 0.09 -1.94 0.07 0.00 1.25 0.00 0.00 42.46 41.93 1xuq s ILE 162 CO 0.35 -0.67 0.59 -0.83 0.24 0.00 0.00 174.94 174.61 1xuq s GLY 163 N -3.18 -0.57 -0.04 6.27 0.00 -1.26 -1.05 107.32 107.49 1xuq s GLY 163 Ca 0.19 0.53 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 1xuq s GLY 163 CO 0.02 0.20 0.02 -2.27 0.00 0.00 0.00 173.10 171.06 1xuq s LEU 164 N -2.56 0.74 -0.21 0.66 2.96 0.20 -4.94 118.68 115.53 1xuq s LEU 164 Ca -0.00 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.60 1xuq s LEU 164 Cb -0.01 -0.27 -0.02 0.00 0.50 0.00 0.00 46.19 46.40 1xuq s LEU 164 CO -0.10 -0.16 1.51 -0.62 -1.32 0.00 0.00 176.35 175.65 1xuq s ASP 165 N 1.58 6.54 -0.11 3.68 2.15 -1.26 -1.39 116.67 127.86 1xuq s ASP 165 Ca -0.02 1.60 0.15 0.00 0.43 0.00 0.00 52.55 54.71 1xuq s ASP 165 Cb -0.13 -2.53 0.47 0.00 -0.30 0.00 0.00 42.92 40.43 1xuq s ASP 165 CO -0.03 -1.12 1.39 1.33 -0.17 0.00 0.00 175.17 176.57 1xuq n VAL 166 N 6.13 1.79 -1.75 1.11 0.24 0.26 -4.83 118.33 121.29 1xuq n VAL 166 Ca 0.17 -1.48 -0.42 0.00 -2.04 0.00 0.00 64.34 60.58 1xuq n VAL 166 Cb 0.45 0.06 -0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1xuq n VAL 166 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1xuq n TRP 167 N 0.05 2.75 0.12 6.34 7.02 -1.12 -4.38 117.44 128.22 1xuq n TRP 167 Ca 0.18 0.45 0.14 0.00 -1.02 0.00 0.00 57.50 57.26 1xuq n TRP 167 Cb 0.73 -2.50 0.65 0.00 -2.42 0.00 0.00 31.31 27.77 1xuq n TRP 167 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1xuq h GLU 168 N 3.09 0.03 -0.12 -0.99 5.08 -1.93 -1.40 114.58 118.33 1xuq h GLU 168 Ca -0.49 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1xuq h GLU 168 Cb 1.25 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1xuq h GLU 168 CO 0.66 0.02 0.11 1.12 -1.00 0.00 0.00 179.01 179.92 1xuq h HIS 169 N 0.03 0.00 0.00 4.33 2.07 -1.98 0.11 115.15 119.70 1xuq h HIS 169 Ca 0.13 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.64 1xuq h HIS 169 Cb 0.50 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.48 1xuq h HIS 169 CO -0.00 0.00 -0.05 0.00 -3.07 0.00 0.00 177.93 174.81 1xuq h ALA 170 N 1.89 1.00 0.00 6.11 0.00 -1.57 -3.39 119.26 123.30 1xuq h ALA 170 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xuq h ALA 170 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xuq h ALA 170 CO -0.00 0.07 -0.02 2.48 0.00 0.00 0.00 179.25 181.78 1xuq n TYR 171 N -3.16 0.00 -0.23 0.00 4.11 -0.80 -4.95 117.16 112.13 1xuq n TYR 171 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.87 1xuq n TYR 171 Cb 0.37 0.00 0.14 0.00 -0.00 0.00 0.00 39.34 39.85 1xuq n TYR 171 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1xuq h TYR 172 N 0.00 1.06 -0.45 -3.48 3.20 -1.02 0.17 116.97 116.44 1xuq h TYR 172 Ca 0.00 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 1xuq h TYR 172 Cb 0.00 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1xuq h TYR 172 CO 0.00 0.79 0.15 -0.07 -1.64 0.00 0.00 178.16 177.39 1xuq h LEU 173 N 1.03 0.65 0.02 2.82 3.38 -1.86 -0.26 115.31 121.10 1xuq h LEU 173 Ca 0.24 -0.20 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 1xuq h LEU 173 Cb 0.17 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1xuq h LEU 173 CO -0.02 0.68 -1.68 -1.13 0.09 0.00 0.00 178.44 176.37 1xuq h ASN 174 N 0.59 0.06 -0.00 -0.43 -0.00 -1.93 -3.42 115.58 110.46 1xuq h ASN 174 Ca 0.15 -0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 1xuq h ASN 174 Cb 0.25 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 1xuq h ASN 174 CO -0.01 1.12 -0.03 -1.22 -0.00 0.00 0.00 177.43 177.29 1xuq n TYR 175 N -3.13 0.00 0.00 0.67 4.02 0.58 -5.09 117.16 114.21 1xuq n TYR 175 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1xuq n TYR 175 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.36 1xuq n TYR 175 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1xuq n GLN 176 N -0.95 0.00 0.00 -0.72 3.00 -0.11 -1.05 117.38 117.55 1xuq n GLN 176 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1xuq n GLN 176 Cb 0.01 0.00 0.70 0.00 0.00 0.00 0.00 30.24 30.95 1xuq n GLN 176 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1xuq n ASN 177 N 2.63 0.00 -3.44 1.08 0.23 -1.26 -4.44 115.26 110.06 1xuq n ASN 177 Ca 0.00 -0.04 -0.40 0.00 -0.53 0.00 0.00 54.58 53.61 1xuq n ASN 177 Cb 0.00 -0.31 -0.02 0.00 -2.08 0.00 0.00 39.78 37.37 1xuq n ASN 177 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1xuq n ARG 178 N -1.31 3.79 -0.27 -3.83 1.74 -0.22 -4.71 116.66 111.86 1xuq n ARG 178 Ca 0.13 -2.64 0.01 0.00 -0.77 0.00 0.00 57.85 54.58 1xuq n ARG 178 Cb 0.24 -2.84 0.14 0.00 -1.02 0.00 0.00 32.46 28.98 1xuq n ARG 178 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1xuq h ARG 179 N 5.09 0.73 -0.76 5.56 2.43 -1.83 -1.75 114.38 123.85 1xuq h ARG 179 Ca 0.76 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.99 1xuq h ARG 179 Cb 0.36 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1xuq h ARG 179 CO 1.72 0.48 0.50 -1.35 -1.51 0.00 0.00 179.97 179.81 1xuq h PRO 180 N 0.75 0.63 -0.53 0.20 0.11 -1.96 -0.91 132.00 130.29 1xuq h PRO 180 Ca 0.36 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.31 1xuq h PRO 180 Cb 0.29 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1xuq h PRO 180 CO -0.22 0.42 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.42 1xuq h ASP 181 N 0.65 1.02 -0.38 -2.05 3.32 -1.72 -1.84 116.42 115.42 1xuq h ASP 181 Ca 0.35 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1xuq h ASP 181 Cb 0.49 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1xuq h ASP 181 CO -0.13 1.15 0.16 0.22 -1.72 0.00 0.00 179.24 178.92 1xuq h TYR 182 N 0.88 0.30 -0.64 4.55 3.20 -1.08 -1.60 116.97 122.58 1xuq h TYR 182 Ca 0.13 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.07 1xuq h TYR 182 Cb 0.70 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 1xuq h TYR 182 CO 0.05 0.14 0.37 0.82 -1.64 0.00 0.00 178.16 177.90 1xuq h ILE 183 N 0.34 1.01 -0.62 1.81 2.04 -1.07 -1.44 117.51 119.59 1xuq h ILE 183 Ca 0.17 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.91 1xuq h ILE 183 Cb 0.11 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.34 1xuq h ILE 183 CO -0.14 0.13 0.10 1.23 0.00 0.00 0.00 178.15 179.46 1xuq h GLY 184 N 0.71 0.76 1.91 5.37 0.00 -1.10 -2.41 103.07 108.31 1xuq h GLY 184 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 1xuq h GLY 184 CO -0.15 -0.15 -0.30 0.00 0.00 0.00 0.00 176.54 175.94 1xuq h ALA 185 N 1.51 1.39 -0.66 3.60 0.00 -0.51 -2.94 119.26 121.65 1xuq h ALA 185 Ca 0.33 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xuq h ALA 185 Cb 0.51 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1xuq h ALA 185 CO -0.45 0.44 0.44 0.35 0.00 0.00 0.00 179.25 180.03 1xuq h PHE 186 N 0.09 0.83 -0.04 0.00 3.57 -0.76 -2.09 116.94 118.54 1xuq h PHE 186 Ca 0.01 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1xuq h PHE 186 Cb 0.59 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1xuq h PHE 186 CO 0.00 0.52 0.08 -1.49 -2.23 0.00 0.00 178.31 175.19 1xuq h TRP 187 N 0.89 0.00 0.00 0.41 -0.00 -1.51 -0.04 115.95 115.70 1xuq h TRP 187 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.13 1xuq h TRP 187 Cb -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.06 1xuq h TRP 187 CO -0.00 0.00 -0.35 -0.91 -0.00 0.00 0.00 178.44 177.18 1xuq h ASN 188 N 0.00 0.00 -0.00 -3.49 2.35 -1.54 -3.34 115.58 109.55 1xuq h ASN 188 Ca 0.02 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1xuq h ASN 188 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1xuq h ASN 188 CO -0.00 0.04 -0.01 1.33 -1.65 0.00 0.00 177.43 177.14 1xuq n VAL 189 N -2.43 0.00 -1.94 2.81 0.24 -0.71 -3.20 118.33 113.10 1xuq n VAL 189 Ca 0.04 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.43 1xuq n VAL 189 Cb 0.47 1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.83 1xuq n VAL 189 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xuq s VAL 190 N -0.81 2.39 -0.55 3.34 0.11 -0.11 -0.94 120.40 123.84 1xuq s VAL 190 Ca 0.00 0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 59.26 1xuq s VAL 190 Cb 0.00 -3.23 0.13 0.00 -1.53 0.00 0.00 36.38 31.75 1xuq s VAL 190 CO 0.01 0.08 0.50 -0.62 -3.33 0.00 0.00 175.10 171.73 1xuq s ASP 191 N 0.00 6.18 0.44 3.54 -1.08 0.27 0.04 116.67 126.06 1xuq s ASP 191 Ca 0.55 -1.83 0.24 0.00 -0.52 0.00 0.00 52.55 51.00 1xuq s ASP 191 Cb -0.44 -2.20 0.78 0.00 -1.46 0.00 0.00 42.92 39.61 1xuq s ASP 191 CO 0.53 -0.84 1.76 -0.50 0.52 0.00 0.00 175.17 176.64 1xuq h TRP 192 N 8.82 0.00 -0.45 -5.34 4.06 -1.88 -1.29 115.95 119.88 1xuq h TRP 192 Ca -0.28 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.61 1xuq h TRP 192 Cb 1.10 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.24 1xuq h TRP 192 CO 0.73 0.18 0.04 -0.91 -3.56 0.00 0.00 178.44 174.92 1xuq h ASN 193 N 0.00 0.74 -0.53 -3.49 2.35 -1.94 -0.51 115.58 112.20 1xuq h ASN 193 Ca -0.00 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.37 1xuq h ASN 193 Cb 0.84 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1xuq h ASN 193 CO 0.02 0.84 -0.05 0.00 -1.65 0.00 0.00 177.43 176.60 1xuq h ALA 194 N 0.93 0.87 -0.62 -0.83 0.00 -1.82 -2.50 119.26 115.28 1xuq h ALA 194 Ca 0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1xuq h ALA 194 Cb 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xuq h ALA 194 CO 0.02 0.65 0.11 0.00 0.00 0.00 0.00 179.25 180.03 1xuq h ALA 195 N 1.04 0.83 -0.45 0.00 0.00 -1.13 -2.29 119.26 117.25 1xuq h ALA 195 Ca 0.15 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xuq h ALA 195 Cb 0.59 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1xuq h ALA 195 CO 0.04 0.58 0.21 1.49 0.00 0.00 0.00 179.25 181.57 1xuq h GLU 196 N 0.94 0.41 -1.00 0.00 4.57 -0.83 -1.11 114.58 117.56 1xuq h GLU 196 Ca 0.19 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1xuq h GLU 196 Cb 0.42 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 1xuq h GLU 196 CO 0.01 0.27 0.66 -0.22 -1.18 0.00 0.00 179.01 178.55 1xuq h LYS 197 N 0.43 1.27 -0.15 1.92 3.64 -1.08 -0.55 116.57 122.04 1xuq h LYS 197 Ca 0.20 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1xuq h LYS 197 Cb 0.13 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1xuq h LYS 197 CO -0.15 0.84 -0.33 0.00 -2.27 0.00 0.00 179.45 177.53 1xuq h ARG 198 N 1.31 0.31 -0.14 1.90 3.08 -0.94 -1.48 114.38 118.41 1xuq h ARG 198 Ca 0.39 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1xuq h ARG 198 Cb -0.06 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1xuq h ARG 198 CO -0.11 0.61 -0.08 -0.92 -1.07 0.00 0.00 179.97 178.41 1xuq h TYR 199 N 0.27 0.35 -0.81 3.04 3.20 -0.72 -2.05 116.97 120.25 1xuq h TYR 199 Ca 0.03 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 61.88 1xuq h TYR 199 Cb 0.72 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 1xuq h TYR 199 CO 0.02 0.64 0.53 1.96 -1.64 0.00 0.00 178.16 179.66 1xuq h GLN 200 N -0.03 0.84 0.00 1.82 1.08 -0.94 -2.85 115.11 115.03 1xuq h GLN 200 Ca 0.03 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1xuq h GLN 200 Cb 0.55 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1xuq h GLN 200 CO 0.02 0.56 -0.36 0.39 -0.95 0.00 0.00 178.83 178.49 1xuq n GLU 201 N -4.49 0.15 0.00 1.46 1.02 -0.57 -5.10 120.64 113.11 1xuq n GLU 201 Ca 0.12 0.07 0.14 0.00 -0.02 0.00 0.00 57.16 57.47 1xuq n GLU 201 Cb 0.23 -1.62 0.47 0.00 -0.02 0.00 0.00 31.44 30.49 1xuq n GLU 201 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31