#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 3.64 0.17 5.58 3.76 -1.26 -5.08 115.29 122.11 1xuq s HIS 4 Ca 0.00 1.35 0.10 0.00 -0.15 0.00 0.00 55.06 56.36 1xuq s HIS 4 Cb 0.00 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1xuq s HIS 4 CO 0.00 0.16 -0.22 -1.21 -0.85 0.00 0.00 174.74 172.62 1xuq s GLU 5 N 0.45 1.39 -0.17 1.40 2.02 -1.26 -4.96 118.70 117.57 1xuq s GLU 5 Ca 0.38 -1.44 -0.29 0.00 0.02 0.00 0.00 54.97 53.64 1xuq s GLU 5 Cb -0.19 -1.63 -0.00 0.00 0.10 0.00 0.00 34.13 32.41 1xuq s GLU 5 CO 0.20 0.35 1.08 -1.17 0.02 0.00 0.00 175.26 175.74 1xuq s LEU 6 N -2.55 4.17 0.40 1.80 2.96 -1.26 -5.03 118.68 119.17 1xuq s LEU 6 Ca 0.17 1.51 -0.25 0.00 -0.22 0.00 0.00 54.13 55.34 1xuq s LEU 6 Cb -0.08 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 1xuq s LEU 6 CO 0.08 -0.61 1.12 -2.16 -1.32 0.00 0.00 176.35 173.46 1xuq s PRO 7 N 2.80 4.08 0.56 0.98 0.04 -1.26 -5.01 135.00 137.19 1xuq s PRO 7 Ca 0.48 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 63.03 1xuq s PRO 7 Cb -0.18 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 1xuq s PRO 7 CO 0.12 -0.26 1.14 -0.80 0.04 0.00 0.00 177.00 177.25 1xuq s ASN 8 N -1.31 5.61 0.59 6.66 0.02 -1.26 -5.01 114.94 120.24 1xuq s ASN 8 Ca 0.58 2.20 -0.19 0.00 -1.02 0.00 0.00 52.86 54.43 1xuq s ASN 8 Cb -0.27 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.38 1xuq s ASN 8 CO 0.34 -1.29 1.22 -0.76 0.02 0.00 0.00 177.10 176.62 1xuq s LEU 9 N -3.89 3.68 0.00 0.60 1.43 -1.26 -4.93 118.68 114.31 1xuq s LEU 9 Ca 0.73 2.42 0.12 0.00 -1.03 0.00 0.00 54.13 56.37 1xuq s LEU 9 Cb -0.25 -4.57 0.72 0.00 0.03 0.00 0.00 46.19 42.11 1xuq s LEU 9 CO 0.28 -1.60 1.46 -0.81 0.23 0.00 0.00 176.35 175.92 1xuq n PRO 10 N -1.54 1.01 -3.93 1.29 -0.05 -1.26 -4.88 135.00 125.64 1xuq n PRO 10 Ca 0.13 -0.01 -0.08 0.00 -0.05 0.00 0.00 63.50 63.49 1xuq n PRO 10 Cb 0.49 -1.19 -0.04 0.00 -0.05 0.00 0.00 33.50 32.72 1xuq n PRO 10 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 175.50 176.97 1xuq s TYR 11 N -2.00 0.10 0.89 0.54 -0.85 -1.26 -5.09 117.35 109.68 1xuq s TYR 11 Ca 0.18 -0.51 -0.10 0.00 -0.52 0.00 0.00 57.07 56.12 1xuq s TYR 11 Cb 0.08 0.43 0.13 0.00 0.38 0.00 0.00 41.96 42.98 1xuq s TYR 11 CO 0.14 -1.10 1.12 0.00 -1.52 0.00 0.00 175.55 174.19 1xuq s ALA 12 N -3.97 1.59 0.35 9.51 0.00 -1.26 -4.92 121.76 123.06 1xuq s ALA 12 Ca 0.17 0.44 0.27 0.00 0.00 0.00 0.00 51.96 52.83 1xuq s ALA 12 Cb -0.03 -3.38 1.34 0.00 0.00 0.00 0.00 23.12 21.05 1xuq s ALA 12 CO 0.08 -2.53 2.02 1.88 0.00 0.00 0.00 175.76 177.21 1xuq h TYR 13 N -1.69 0.00 -0.58 0.00 -1.99 -1.99 -2.57 116.97 108.15 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 1.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 1xuq h TYR 13 CO 0.51 0.14 0.00 -0.40 -0.00 0.00 0.00 178.16 178.41 1xuq n ASP 14 N -3.57 3.72 0.26 3.88 5.75 -1.26 -4.23 116.55 121.10 1xuq n ASP 14 Ca -0.01 -1.99 0.14 0.00 -0.01 0.00 0.00 54.79 52.92 1xuq n ASP 14 Cb 0.28 -0.39 0.62 0.00 -1.03 0.00 0.00 41.12 40.61 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 4.25 1.03 -0.67 2.12 0.00 -1.81 -2.84 119.26 121.33 1xuq h ALA 15 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xuq h ALA 15 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1xuq h ALA 15 CO 0.00 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1xuq n LEU 16 N -3.24 3.94 -4.79 0.00 4.77 -1.26 -4.45 117.00 111.96 1xuq n LEU 16 Ca 0.00 -1.97 -0.35 0.00 -0.03 0.00 0.00 56.01 53.66 1xuq n LEU 16 Cb 0.34 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 1xuq n LEU 16 CO 0.29 0.88 0.72 -1.61 -1.33 0.00 0.00 177.39 176.34 1xuq s GLU 17 N -1.29 3.96 0.00 3.23 0.41 -1.08 -1.15 118.70 122.77 1xuq s GLU 17 Ca 0.47 1.41 0.15 0.00 -0.41 0.00 0.00 54.97 56.59 1xuq s GLU 17 Cb 0.26 -2.27 0.62 0.00 -1.78 0.00 0.00 34.13 30.97 1xuq s GLU 17 CO 0.29 -0.31 1.44 -0.35 -0.49 0.00 0.00 175.26 175.85 1xuq n PRO 18 N -0.61 1.48 0.04 0.39 -0.04 -1.26 -4.90 135.00 130.09 1xuq n PRO 18 Ca 0.08 -0.73 -0.11 0.00 -0.04 0.00 0.00 63.50 62.69 1xuq n PRO 18 Cb 0.51 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.36 -0.15 -3.19 0.54 3.86 -1.49 -3.41 115.15 112.67 1xuq h HIS 19 Ca 0.00 -0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1xuq h HIS 19 Cb 0.30 0.05 -0.33 0.00 1.06 0.00 0.00 27.41 28.49 1xuq h HIS 19 CO 0.10 0.33 -0.84 -0.06 0.86 0.00 0.00 177.93 178.31 1xuq s PHE 20 N -3.52 2.75 0.47 2.45 0.08 -0.30 -4.92 117.98 115.00 1xuq s PHE 20 Ca -0.14 -1.34 -0.20 0.00 0.12 0.00 0.00 56.93 55.37 1xuq s PHE 20 Cb 0.00 -1.89 -0.09 0.00 -0.57 0.00 0.00 43.02 40.48 1xuq s PHE 20 CO 0.53 -0.64 1.02 0.16 -0.10 0.00 0.00 175.22 176.19 1xuq s ASP 21 N 1.02 6.47 0.32 1.36 -4.77 -1.26 -3.23 116.67 116.57 1xuq s ASP 21 Ca -0.02 1.87 0.09 0.00 -3.30 0.00 0.00 52.55 51.19 1xuq s ASP 21 Cb -0.15 -2.56 0.53 0.00 -1.09 0.00 0.00 42.92 39.66 1xuq s ASP 21 CO -0.05 -0.69 1.73 0.07 0.70 0.00 0.00 175.17 176.93 1xuq h LYS 22 N 1.62 0.15 -0.08 2.11 2.10 -1.92 -1.93 116.57 118.62 1xuq h LYS 22 Ca -0.49 -0.07 -0.00 0.00 -2.00 0.00 0.00 60.65 58.09 1xuq h LYS 22 Cb 1.21 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1xuq h LYS 22 CO 0.59 0.54 0.05 0.93 -2.00 0.00 0.00 179.45 179.56 1xuq h GLU 23 N 0.13 0.11 -0.24 0.07 3.07 -1.93 -1.13 114.58 114.65 1xuq h GLU 23 Ca 0.01 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1xuq h GLU 23 Cb 0.78 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1xuq h GLU 23 CO 0.06 0.10 0.15 1.15 -1.40 0.00 0.00 179.01 179.06 1xuq h THR 24 N 0.08 1.04 -0.64 1.13 2.02 -1.91 -1.14 112.91 113.49 1xuq h THR 24 Ca 0.03 -0.10 0.11 0.00 0.77 0.00 0.00 66.41 67.21 1xuq h THR 24 Cb 0.02 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 67.06 1xuq h THR 24 CO -0.01 0.05 0.23 0.24 0.37 0.00 0.00 175.52 176.41 1xuq h MET 25 N 0.30 0.39 0.63 6.66 2.86 -1.11 0.20 114.93 124.87 1xuq h MET 25 Ca 0.09 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1xuq h MET 25 Cb -0.02 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 1xuq h MET 25 CO -0.03 0.26 -0.38 -0.97 1.06 0.00 0.00 176.91 176.85 1xuq h ASN 26 N 0.41 -0.95 -0.52 1.22 -0.00 -0.95 -2.20 115.58 112.59 1xuq h ASN 26 Ca 0.33 0.05 -0.10 0.00 -0.00 0.00 0.00 56.30 56.59 1xuq h ASN 26 Cb 0.44 0.28 -0.02 0.00 -0.00 0.00 0.00 38.32 39.02 1xuq h ASN 26 CO -0.34 -0.60 -0.06 0.40 -0.00 0.00 0.00 177.43 176.83 1xuq h ILE 27 N -0.95 1.27 -0.80 2.57 2.04 -0.84 0.10 117.51 120.89 1xuq h ILE 27 Ca -0.08 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 1xuq h ILE 27 Cb 0.77 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1xuq h ILE 27 CO 0.09 0.42 0.31 -0.74 0.00 0.00 0.00 178.15 178.23 1xuq h HIS 28 N 0.82 1.22 0.00 1.37 2.76 -0.67 -1.30 115.15 119.35 1xuq h HIS 28 Ca 0.14 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1xuq h HIS 28 Cb 0.61 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1xuq h HIS 28 CO 0.04 0.92 -0.20 1.25 -1.30 0.00 0.00 177.93 178.65 1xuq h HIS 29 N 1.16 0.00 0.00 5.26 -0.00 -1.23 -0.99 115.15 119.35 1xuq h HIS 29 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 1xuq h HIS 29 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 1xuq h HIS 29 CO 0.02 0.35 -0.06 1.79 -0.00 0.00 0.00 177.93 180.03 1xuq h THR 30 N -1.00 0.00 0.00 6.26 1.35 -0.89 -2.99 112.91 115.64 1xuq h THR 30 Ca -0.03 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1xuq h THR 30 Cb 0.42 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1xuq h THR 30 CO -0.02 0.00 -0.25 0.29 -0.25 0.00 0.00 175.52 175.29 1xuq n LYS 31 N -2.33 0.13 0.26 4.72 4.76 -0.58 -4.56 118.16 120.57 1xuq n LYS 31 Ca 0.05 0.05 -0.16 0.00 -2.87 0.00 0.00 58.31 55.39 1xuq n LYS 31 Cb 0.44 -0.66 -0.08 0.00 -1.84 0.00 0.00 35.03 32.89 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 -0.25 -0.58 -0.19 2.13 3.86 -1.28 -1.04 115.15 117.79 1xuq h HIS 32 Ca 0.00 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1xuq h HIS 32 Cb 0.25 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1xuq h HIS 32 CO -0.11 -0.31 0.04 1.25 0.86 0.00 0.00 177.93 179.66 1xuq h HIS 33 N -0.74 0.33 -0.97 2.45 -0.00 -1.18 -2.52 115.15 112.52 1xuq h HIS 33 Ca -0.06 -0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.40 1xuq h HIS 33 Cb 0.53 -0.09 -0.09 0.00 -0.00 0.00 0.00 27.41 27.76 1xuq h HIS 33 CO -0.02 0.45 0.59 -0.97 -0.00 0.00 0.00 177.93 177.98 1xuq h ASN 34 N 0.11 0.82 -0.47 3.26 -0.00 -1.55 -1.77 115.58 115.98 1xuq h ASN 34 Ca 0.06 0.07 -0.11 0.00 -0.00 0.00 0.00 56.30 56.32 1xuq h ASN 34 Cb 0.29 -0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 38.51 1xuq h ASN 34 CO 0.00 0.39 -0.13 0.74 -0.00 0.00 0.00 177.43 178.43 1xuq h THR 35 N 0.87 1.27 -0.84 -3.57 2.02 -0.92 0.12 112.91 111.86 1xuq h THR 35 Ca 0.51 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 66.48 1xuq h THR 35 Cb 0.62 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 1xuq h THR 35 CO -0.31 0.44 0.52 1.88 0.37 0.00 0.00 175.52 178.42 1xuq h TYR 36 N 0.85 0.97 -0.25 3.16 0.05 -0.93 -1.44 116.97 119.38 1xuq h TYR 36 Ca 0.13 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 1xuq h TYR 36 Cb 0.67 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1xuq h TYR 36 CO 0.04 0.50 0.00 0.82 -1.05 0.00 0.00 178.16 178.48 1xuq h ILE 37 N 0.96 1.25 -0.37 -2.88 2.04 -0.54 0.33 117.51 118.31 1xuq h ILE 37 Ca 0.36 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.38 1xuq h ILE 37 Cb 0.15 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1xuq h ILE 37 CO -0.17 0.28 0.07 0.74 0.00 0.00 0.00 178.15 179.08 1xuq h THR 38 N 0.23 0.80 -0.05 -0.27 2.02 -0.56 -1.20 112.91 113.87 1xuq h THR 38 Ca 0.07 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 1xuq h THR 38 Cb 0.41 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1xuq h THR 38 CO 0.01 0.03 -0.65 0.78 0.37 0.00 0.00 175.52 176.06 1xuq h ASN 39 N 0.19 0.26 0.12 4.18 -0.26 -1.07 -2.20 115.58 116.80 1xuq h ASN 39 Ca 0.18 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1xuq h ASN 39 Cb 0.21 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1xuq h ASN 39 CO -0.24 0.84 -0.06 0.25 -1.06 0.00 0.00 177.43 177.16 1xuq h LEU 40 N 0.16 -0.14 -1.08 1.61 5.85 -0.61 -2.06 115.31 119.03 1xuq h LEU 40 Ca -0.01 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1xuq h LEU 40 Cb 1.18 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1xuq h LEU 40 CO 0.10 0.02 0.62 0.78 -0.34 0.00 0.00 178.44 179.62 1xuq h ASN 41 N -0.29 1.07 -0.52 1.25 2.35 -1.06 -1.22 115.58 117.15 1xuq h ASN 41 Ca -0.02 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1xuq h ASN 41 Cb 0.24 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1xuq h ASN 41 CO 0.03 0.77 0.24 0.00 -1.65 0.00 0.00 177.43 176.81 1xuq h ALA 42 N 1.42 0.67 0.00 -0.83 0.00 -1.40 -2.50 119.26 116.62 1xuq h ALA 42 Ca 0.35 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1xuq h ALA 42 Cb -0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xuq h ALA 42 CO -0.08 0.24 -0.38 0.00 0.00 0.00 0.00 179.25 179.03 1xuq h ALA 43 N 1.08 1.18 -0.01 0.00 0.00 -0.60 -2.21 119.26 118.71 1xuq h ALA 43 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xuq h ALA 43 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xuq h ALA 43 CO -0.02 0.48 -0.02 1.28 0.00 0.00 0.00 179.25 180.97 1xuq n LEU 44 N -3.80 0.52 -4.67 0.00 4.77 -0.54 -4.86 117.00 108.43 1xuq n LEU 44 Ca -0.01 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 1xuq n LEU 44 Cb 0.45 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1xuq n LEU 44 CO 0.38 0.09 1.49 -1.61 -1.33 0.00 0.00 177.39 176.40 1xuq s GLU 45 N -2.09 4.16 0.00 3.23 2.02 -0.83 -1.91 118.70 123.28 1xuq s GLU 45 Ca 0.42 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.86 1xuq s GLU 45 Cb 0.21 -3.99 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1xuq s GLU 45 CO 0.38 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 175.18 1xuq n GLY 46 N 4.33 0.23 2.72 -1.39 0.00 -1.26 -4.95 105.19 104.86 1xuq n GLY 46 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1xuq n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xuq n HIS 47 N -2.00 3.39 0.19 1.61 8.25 -0.80 -4.91 115.22 120.94 1xuq n HIS 47 Ca 0.00 -3.65 0.13 0.00 -0.26 0.00 0.00 57.72 53.93 1xuq n HIS 47 Cb 0.00 -0.35 0.69 0.00 1.12 0.00 0.00 29.99 31.45 1xuq n HIS 47 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xuq h ALA 48 N 2.86 2.09 -0.08 -1.41 0.00 -1.93 0.29 119.26 121.07 1xuq h ALA 48 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xuq h ALA 48 Cb 0.70 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xuq h ALA 48 CO 0.79 -0.20 0.03 1.05 0.00 0.00 0.00 179.25 180.91 1xuq h GLU 49 N 0.00 0.13 -0.78 0.00 -0.00 -1.94 -3.14 114.58 108.85 1xuq h GLU 49 Ca 0.08 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.36 59.36 1xuq h GLU 49 Cb 0.32 -0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 29.02 1xuq h GLU 49 CO -0.00 0.30 0.32 -0.07 -0.00 0.00 0.00 179.01 179.56 1xuq h LEU 50 N -0.06 1.07 -1.09 3.06 3.38 -1.41 -3.08 115.31 117.18 1xuq h LEU 50 Ca 0.03 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xuq h LEU 50 Cb 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1xuq h LEU 50 CO -0.00 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.48 1xuq n ALA 51 N -2.42 1.19 1.17 1.53 0.00 -0.21 -1.69 120.51 120.08 1xuq n ALA 51 Ca 0.07 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1xuq n ALA 51 Cb 0.18 -1.30 0.36 0.00 0.00 0.00 0.00 19.45 18.69 1xuq n ALA 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xuq n ASP 52 N -2.16 2.08 -4.82 0.00 8.00 -1.16 -4.82 116.55 113.67 1xuq n ASP 52 Ca -0.00 -1.72 -0.32 0.00 0.71 0.00 0.00 54.79 53.45 1xuq n ASP 52 Cb 0.08 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1xuq n ASP 52 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xuq s LYS 53 N -1.87 3.57 0.58 -1.24 1.02 -0.68 -5.05 119.74 116.07 1xuq s LYS 53 Ca 0.35 1.10 -0.19 0.00 0.02 0.00 0.00 55.97 57.25 1xuq s LYS 53 Cb 0.20 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1xuq s LYS 53 CO 0.30 -0.59 1.16 -1.54 -0.92 0.00 0.00 175.35 173.76 1xuq s SER 54 N -2.90 5.41 0.31 2.83 1.04 -1.26 -4.87 113.70 114.24 1xuq s SER 54 Ca 0.62 2.24 0.02 0.00 0.48 0.00 0.00 55.95 59.31 1xuq s SER 54 Cb -0.14 -2.58 0.49 0.00 0.10 0.00 0.00 66.02 63.89 1xuq s SER 54 CO 0.35 -1.44 1.83 1.62 0.98 0.00 0.00 173.24 176.58 1xuq h VAL 55 N 0.90 1.22 -0.14 5.02 3.04 -1.96 -0.24 116.25 124.09 1xuq h VAL 55 Ca -0.50 -0.86 0.01 0.00 -1.01 0.00 0.00 66.70 64.34 1xuq h VAL 55 Cb 1.27 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.44 1xuq h VAL 55 CO 0.56 0.30 0.07 -0.33 -1.01 0.00 0.00 177.57 177.15 1xuq h GLU 56 N 0.61 0.14 -0.79 4.17 3.07 -1.92 -0.87 114.58 118.99 1xuq h GLU 56 Ca 0.13 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 1xuq h GLU 56 Cb 0.37 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 1xuq h GLU 56 CO 0.01 0.09 0.34 1.49 -1.40 0.00 0.00 179.01 179.54 1xuq h GLU 57 N 0.15 1.16 -0.58 2.33 4.81 -1.86 -1.15 114.58 119.44 1xuq h GLU 57 Ca 0.05 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1xuq h GLU 57 Cb 0.01 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.13 1xuq h GLU 57 CO -0.04 0.93 0.25 1.25 -0.73 0.00 0.00 179.01 180.67 1xuq h LEU 58 N 1.13 0.31 -0.01 1.64 5.85 -0.52 -2.72 115.31 120.99 1xuq h LEU 58 Ca 0.27 0.06 -0.23 0.00 0.84 0.00 0.00 57.88 58.81 1xuq h LEU 58 Cb 0.18 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1xuq h LEU 58 CO -0.03 0.20 -1.06 0.58 -0.34 0.00 0.00 178.44 177.79 1xuq h VAL 59 N 0.47 1.61 -0.12 1.05 2.07 -1.01 -3.20 116.25 117.12 1xuq h VAL 59 Ca 0.28 -3.18 -0.04 0.00 0.82 0.00 0.00 66.70 64.58 1xuq h VAL 59 Cb 0.27 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1xuq h VAL 59 CO -0.24 0.92 -0.09 0.00 0.02 0.00 0.00 177.57 178.18 1xuq h ALA 60 N 0.86 1.64 -1.62 1.67 0.00 -1.01 -3.21 119.26 117.59 1xuq h ALA 60 Ca -0.06 -0.15 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 1xuq h ALA 60 Cb 1.79 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 19.11 1xuq h ALA 60 CO 0.15 0.27 -0.60 0.09 0.00 0.00 0.00 179.25 179.16 1xuq n ASN 61 N -4.34 4.86 -0.33 0.00 3.02 -1.04 -4.55 115.26 112.87 1xuq n ASN 61 Ca -0.01 -3.72 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1xuq n ASN 61 Cb 0.22 -0.52 0.14 0.00 -0.61 0.00 0.00 39.78 39.01 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 2.69 0.93 -1.13 3.41 7.12 -1.56 -2.50 115.31 124.27 1xuq h LEU 62 Ca 0.29 0.00 0.43 0.00 0.13 0.00 0.00 57.88 58.73 1xuq h LEU 62 Cb 0.79 -0.20 -0.16 0.00 -0.53 0.00 0.00 40.66 40.57 1xuq h LEU 62 CO 0.88 0.62 0.65 -0.55 -0.13 0.00 0.00 178.44 179.91 1xuq h ASN 63 N 1.08 0.30 -0.09 1.25 -0.00 -1.90 -0.55 115.58 115.67 1xuq h ASN 63 Ca 0.38 0.22 0.00 0.00 -0.00 0.00 0.00 56.30 56.90 1xuq h ASN 63 Cb 0.09 0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 1xuq h ASN 63 CO -0.15 -0.36 0.00 -0.62 -0.00 0.00 0.00 177.43 176.31 1xuq n GLU 64 N -5.08 1.66 -2.70 4.14 1.02 -0.94 -4.84 120.64 113.91 1xuq n GLU 64 Ca 0.38 -0.98 -0.42 0.00 -0.02 0.00 0.00 57.16 56.12 1xuq n GLU 64 Cb 1.35 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 31.31 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 -1.90 4.83 0.04 2.62 1.01 -0.22 -4.98 120.40 121.80 1xuq s VAL 65 Ca 0.35 2.05 -0.38 0.00 0.00 0.00 0.00 61.98 64.00 1xuq s VAL 65 Cb 0.19 -4.32 -0.18 0.00 0.00 0.00 0.00 36.38 32.07 1xuq s VAL 65 CO 0.30 0.08 1.25 -2.65 0.00 0.00 0.00 175.10 174.09 1xuq n PRO 66 N 4.44 0.71 -0.32 2.72 -0.02 -1.26 -4.64 135.00 136.63 1xuq n PRO 66 Ca 0.07 0.26 0.19 0.00 -2.02 0.00 0.00 63.50 62.00 1xuq n PRO 66 Cb 0.50 -1.84 0.38 0.00 -0.02 0.00 0.00 33.50 32.52 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 4.06 0.24 -0.94 -0.52 4.22 -1.93 -0.71 114.58 118.99 1xuq h GLU 67 Ca -0.49 -0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.09 1xuq h GLU 67 Cb 1.37 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.49 1xuq h GLU 67 CO 0.74 0.16 0.60 0.00 -2.18 0.00 0.00 179.01 178.32 1xuq h ALA 68 N 1.83 1.76 -0.24 2.92 0.00 -2.04 -2.48 119.26 121.02 1xuq h ALA 68 Ca 0.65 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1xuq h ALA 68 Cb 1.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xuq h ALA 68 CO -0.65 -0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.00 1xuq n ILE 69 N -4.61 0.80 -0.12 0.00 -5.35 -0.33 -4.76 119.36 104.99 1xuq n ILE 69 Ca 0.19 -0.90 -0.09 0.00 -0.27 0.00 0.00 62.75 61.68 1xuq n ILE 69 Cb 0.48 0.64 -0.02 0.00 -1.74 0.00 0.00 39.64 39.01 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 1.75 0.55 -0.81 6.28 2.43 -0.92 -1.62 114.38 122.04 1xuq h ARG 70 Ca 0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1xuq h ARG 70 Cb 0.64 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1xuq h ARG 70 CO 0.00 0.55 0.47 1.15 -1.51 0.00 0.00 179.97 180.63 1xuq h THR 71 N 0.43 1.23 -0.31 0.20 2.02 -1.86 0.13 112.91 114.76 1xuq h THR 71 Ca 0.12 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 1xuq h THR 71 Cb 0.22 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1xuq h THR 71 CO -0.01 0.25 -0.09 0.00 0.37 0.00 0.00 175.52 176.05 1xuq h ALA 72 N 1.25 1.28 -0.05 6.16 0.00 -1.83 -1.07 119.26 125.00 1xuq h ALA 72 Ca 0.29 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1xuq h ALA 72 Cb -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xuq h ALA 72 CO -0.05 0.48 -0.59 0.28 0.00 0.00 0.00 179.25 179.36 1xuq h VAL 73 N 0.47 1.38 -0.38 0.00 2.07 -0.63 -1.10 116.25 118.07 1xuq h VAL 73 Ca 0.09 -1.97 0.08 0.00 0.82 0.00 0.00 66.70 65.72 1xuq h VAL 73 Cb 0.44 2.37 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 1xuq h VAL 73 CO 0.02 0.59 -0.07 -0.09 0.02 0.00 0.00 177.57 178.04 1xuq h ARG 74 N 0.06 0.03 0.05 1.57 2.43 -0.60 0.27 114.38 118.19 1xuq h ARG 74 Ca -0.06 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1xuq h ARG 74 Cb 1.27 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1xuq h ARG 74 CO 0.12 0.02 -0.32 -0.91 -1.51 0.00 0.00 179.97 177.37 1xuq h ASN 75 N 0.03 0.19 0.22 -3.80 2.35 -1.22 -2.05 115.58 111.30 1xuq h ASN 75 Ca 0.19 -0.96 -0.35 0.00 -0.55 0.00 0.00 56.30 54.63 1xuq h ASN 75 Cb 0.28 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1xuq h ASN 75 CO -0.37 1.14 -1.77 0.78 -1.65 0.00 0.00 177.43 175.56 1xuq h ASN 76 N -0.72 0.54 -0.62 5.81 2.35 -1.25 -1.75 115.58 119.95 1xuq h ASN 76 Ca -0.05 -0.86 -0.01 0.00 -0.55 0.00 0.00 56.30 54.82 1xuq h ASN 76 Cb 1.23 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 1xuq h ASN 76 CO 0.06 1.74 0.36 1.23 -1.65 0.00 0.00 177.43 179.17 1xuq h GLY 77 N 0.94 0.91 0.20 2.83 0.00 -0.56 -1.24 103.07 106.15 1xuq h GLY 77 Ca -0.34 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 46.64 1xuq h GLY 77 CO 0.16 0.38 -0.28 -1.33 0.00 0.00 0.00 176.54 175.47 1xuq h GLY 78 N 0.84 -0.32 0.49 4.60 0.00 -1.14 0.02 103.07 107.55 1xuq h GLY 78 Ca 0.22 0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.97 1xuq h GLY 78 CO -0.04 -0.21 0.26 -1.33 0.00 0.00 0.00 176.54 175.22 1xuq h GLY 79 N -0.34 0.86 0.75 4.60 0.00 -1.16 0.89 103.07 108.68 1xuq h GLY 79 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xuq h GLY 79 CO -0.34 0.03 0.00 0.84 0.00 0.00 0.00 176.54 177.07 1xuq h HIS 80 N 0.47 0.00 -0.21 5.60 6.17 -0.98 -1.65 115.15 124.55 1xuq h HIS 80 Ca 0.30 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.38 1xuq h HIS 80 Cb 0.32 -0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.23 1xuq h HIS 80 CO -0.14 0.25 0.13 0.00 0.71 0.00 0.00 177.93 178.88 1xuq h ALA 81 N 0.75 0.26 -0.37 5.26 0.00 -0.75 -0.93 119.26 123.48 1xuq h ALA 81 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xuq h ALA 81 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xuq h ALA 81 CO 0.00 -0.27 0.13 -0.91 0.00 0.00 0.00 179.25 178.20 1xuq h ASN 82 N 0.26 0.53 0.22 0.00 2.35 -0.77 -2.23 115.58 115.94 1xuq h ASN 82 Ca 0.08 -0.19 -0.22 0.00 -0.55 0.00 0.00 56.30 55.42 1xuq h ASN 82 Cb -0.02 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1xuq h ASN 82 CO -0.03 0.58 -0.89 0.45 -1.65 0.00 0.00 177.43 175.90 1xuq h HIS 83 N 0.46 0.71 -0.02 1.19 3.86 -1.27 -1.35 115.15 118.72 1xuq h HIS 83 Ca 0.12 -0.36 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1xuq h HIS 83 Cb 0.23 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 1xuq h HIS 83 CO 0.00 1.17 -0.23 1.15 0.86 0.00 0.00 177.93 180.89 1xuq h THR 84 N 0.30 0.47 -0.37 2.45 2.02 -1.11 -2.22 112.91 114.45 1xuq h THR 84 Ca -0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.18 1xuq h THR 84 Cb 1.51 0.47 -0.09 0.00 -1.74 0.00 0.00 68.15 68.30 1xuq h THR 84 CO 0.16 0.00 -0.34 0.15 0.37 0.00 0.00 175.52 175.86 1xuq h PHE 85 N -0.35 -0.95 -0.36 3.16 3.57 -1.40 -3.19 116.94 117.42 1xuq h PHE 85 Ca 0.07 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.70 1xuq h PHE 85 Cb 0.44 0.47 -0.08 0.00 2.79 0.00 0.00 35.95 39.57 1xuq h PHE 85 CO -0.28 -0.39 -0.16 0.35 -2.23 0.00 0.00 178.31 175.59 1xuq h PHE 86 N -0.28 -0.40 -0.26 0.41 3.57 -0.80 -0.56 116.94 118.62 1xuq h PHE 86 Ca 0.16 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1xuq h PHE 86 Cb 0.55 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1xuq h PHE 86 CO -0.54 -0.24 0.18 -1.49 -2.23 0.00 0.00 178.31 173.99 1xuq h TRP 87 N -0.10 0.16 -0.01 0.41 -0.00 -1.40 -1.81 115.95 113.20 1xuq h TRP 87 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.08 1xuq h TRP 87 Cb 0.38 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.48 1xuq h TRP 87 CO -0.39 0.09 -0.13 0.25 -0.00 0.00 0.00 178.44 178.27 1xuq n THR 88 N -4.49 0.00 -0.61 1.49 -2.24 -0.24 -3.53 114.28 104.66 1xuq n THR 88 Ca 0.02 -0.16 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 1xuq n THR 88 Cb 0.21 0.34 0.25 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.37 1.73 -4.39 2.28 -6.64 -0.68 -4.89 119.36 106.38 1xuq n ILE 89 Ca 0.16 -1.39 -0.25 0.00 -1.77 0.00 0.00 62.75 59.49 1xuq n ILE 89 Cb 0.33 0.11 -0.10 0.00 -1.44 0.00 0.00 39.64 38.54 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 -1.93 2.71 -0.17 7.28 1.43 -1.22 -0.56 118.68 126.22 1xuq s LEU 90 Ca 0.38 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 1xuq s LEU 90 Cb 0.26 -1.32 0.11 0.00 0.03 0.00 0.00 46.19 45.27 1xuq s LEU 90 CO 0.15 0.07 0.93 -0.55 0.23 0.00 0.00 176.35 177.18 1xuq s SER 91 N -3.15 -0.47 0.31 2.29 0.15 -0.17 -4.75 113.70 107.90 1xuq s SER 91 Ca 0.26 0.64 0.25 0.00 0.70 0.00 0.00 55.95 57.81 1xuq s SER 91 Cb -0.07 0.56 1.04 0.00 -1.71 0.00 0.00 66.02 65.85 1xuq s SER 91 CO 0.14 -0.34 1.76 1.55 1.20 0.00 0.00 173.24 177.55 1xuq h PRO 92 N 3.19 0.00 -0.67 5.44 0.13 -1.86 -1.84 132.00 136.39 1xuq h PRO 92 Ca -0.23 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.26 0.00 0.19 -1.71 -0.23 0.00 0.00 178.00 176.51 1xuq n ASN 93 N -2.39 4.90 -1.09 1.44 4.05 -1.26 -4.99 115.26 115.92 1xuq n ASN 93 Ca 0.02 -3.18 0.00 0.00 0.45 0.00 0.00 54.58 51.87 1xuq n ASN 93 Cb 0.25 -0.72 0.00 0.00 1.23 0.00 0.00 39.78 40.54 1xuq n ASN 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xuq n GLY 94 N -0.06 0.96 0.40 8.20 0.00 -0.69 -4.93 105.19 109.06 1xuq n GLY 94 Ca 0.37 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.49 7.00 -0.02 0.00 0.13 -4.70 105.19 110.10 1xuq n GLY 95 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.83 -1.27 3.83 -0.02 0.00 -1.25 -4.71 105.19 100.95 1xuq n GLY 96 Ca 0.00 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 4.10 0.79 1.61 -1.52 -1.26 -5.00 119.66 118.38 1xuq s GLN 97 Ca 0.00 1.01 -0.14 0.00 -1.95 0.00 0.00 55.36 54.28 1xuq s GLN 97 Cb 0.00 -2.19 0.07 0.00 -0.22 0.00 0.00 33.01 30.67 1xuq s GLN 97 CO 0.00 -0.10 1.17 -2.30 -0.25 0.00 0.00 175.29 173.81 1xuq n PRO 98 N -0.97 0.28 -4.48 2.91 -0.02 -1.26 -4.90 135.00 126.57 1xuq n PRO 98 Ca 0.06 0.17 -0.23 0.00 -2.02 0.00 0.00 63.50 61.48 1xuq n PRO 98 Cb 0.54 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 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 -2.04 1.64 0.00 -1.45 -7.23 -1.26 -4.80 120.40 105.27 1xuq s VAL 99 Ca 0.74 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1xuq s VAL 99 Cb -0.30 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1xuq s VAL 99 CO 0.50 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 1xuq n GLY 100 N -0.70 -0.14 0.15 2.32 0.00 -1.26 -2.11 105.19 103.45 1xuq n GLY 100 Ca -0.04 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.91 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 0.13 -0.71 1.61 5.08 -2.00 -2.51 114.58 116.19 1xuq h GLU 101 Ca 0.00 -0.09 0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1xuq h GLU 101 Cb 0.00 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 1xuq h GLU 101 CO 0.00 0.71 0.30 1.25 -1.00 0.00 0.00 179.01 180.26 1xuq h LEU 102 N 0.10 0.31 -0.41 1.33 5.85 -1.91 0.27 115.31 120.85 1xuq h LEU 102 Ca -0.01 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1xuq h LEU 102 Cb 1.11 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1xuq h LEU 102 CO 0.09 0.16 0.19 0.00 -0.34 0.00 0.00 178.44 178.54 1xuq h ALA 103 N 1.48 0.51 -0.61 1.25 0.00 -0.97 0.25 119.26 121.17 1xuq h ALA 103 Ca 0.37 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 1xuq h ALA 103 Cb 0.49 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1xuq h ALA 103 CO -0.34 -0.17 0.21 1.15 0.00 0.00 0.00 179.25 180.10 1xuq h THR 104 N 0.40 1.24 -0.34 0.00 2.02 -1.34 -1.63 112.91 113.26 1xuq h THR 104 Ca 0.18 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 1xuq h THR 104 Cb 0.10 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1xuq h THR 104 CO -0.13 0.30 -0.07 0.00 0.37 0.00 0.00 175.52 175.99 1xuq h ALA 105 N 1.07 1.25 -0.12 6.16 0.00 -0.52 -1.71 119.26 125.40 1xuq h ALA 105 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xuq h ALA 105 Cb 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xuq h ALA 105 CO -0.01 0.49 -0.01 0.82 0.00 0.00 0.00 179.25 180.54 1xuq h ILE 106 N 0.52 1.27 -0.63 0.00 2.04 -0.67 -0.28 117.51 119.77 1xuq h ILE 106 Ca 0.10 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.18 1xuq h ILE 106 Cb 0.44 1.62 -0.08 0.00 -0.74 0.00 0.00 36.82 38.06 1xuq h ILE 106 CO 0.02 0.26 0.24 -0.33 0.00 0.00 0.00 178.15 178.33 1xuq h GLU 107 N -0.07 0.40 0.09 2.37 5.08 -1.10 0.20 114.58 121.56 1xuq h GLU 107 Ca 0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xuq h GLU 107 Cb 0.40 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xuq h GLU 107 CO 0.01 0.27 -0.04 0.00 -1.00 0.00 0.00 179.01 178.24 1xuq h ALA 108 N 1.44 -0.12 -0.13 3.43 0.00 -1.10 0.22 119.26 122.99 1xuq h ALA 108 Ca 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xuq h ALA 108 Cb 0.41 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xuq h ALA 108 CO -0.32 -0.40 -0.02 -0.22 0.00 0.00 0.00 179.25 178.29 1xuq h LYS 109 N -0.45 0.25 -0.00 0.00 3.11 -0.93 -3.34 116.57 115.20 1xuq h LYS 109 Ca -0.01 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1xuq h LYS 109 Cb 0.38 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1xuq h LYS 109 CO 0.02 0.53 -0.93 1.19 -2.81 0.00 0.00 179.45 177.45 1xuq n PHE 110 N -4.73 0.00 0.00 1.91 3.01 0.70 -4.99 117.46 113.35 1xuq n PHE 110 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1xuq n PHE 110 Cb 0.24 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 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 1.49 2.71 3.67 1.37 0.00 0.77 -4.53 105.19 110.66 1xuq n GLY 111 Ca 0.05 -0.64 -0.08 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 -0.18 0.16 1.61 1.04 -1.24 -4.67 113.70 110.41 1xuq s SER 112 Ca 0.00 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.59 1xuq s SER 112 Cb 0.00 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1xuq s SER 112 CO 0.00 -1.20 1.59 0.15 0.98 0.00 0.00 173.24 174.76 1xuq h PHE 113 N 2.15 1.06 -1.00 5.02 3.57 -1.92 -1.84 116.94 123.98 1xuq h PHE 113 Ca -0.24 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.09 1xuq h PHE 113 Cb 1.25 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 1xuq h PHE 113 CO 0.40 1.00 0.66 -0.44 -2.23 0.00 0.00 178.31 177.69 1xuq h ASP 114 N 0.82 1.09 -0.38 0.41 3.32 -1.97 -0.06 116.42 119.65 1xuq h ASP 114 Ca 0.14 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1xuq h ASP 114 Cb 0.62 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1xuq h ASP 114 CO 0.04 0.74 -0.28 0.00 -1.72 0.00 0.00 179.24 178.02 1xuq h ALA 115 N 1.42 0.54 -0.23 3.45 0.00 -1.79 -1.80 119.26 120.86 1xuq h ALA 115 Ca 0.40 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xuq h ALA 115 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xuq h ALA 115 CO -0.13 0.57 0.03 0.35 0.00 0.00 0.00 179.25 180.07 1xuq h PHE 116 N 0.67 0.04 -0.85 0.00 3.57 -1.11 -1.79 116.94 117.47 1xuq h PHE 116 Ca 0.07 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1xuq h PHE 116 Cb 0.86 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 1xuq h PHE 116 CO 0.06 0.00 0.52 0.87 -2.23 0.00 0.00 178.31 177.53 1xuq h LYS 117 N 0.11 0.88 -0.55 1.11 1.57 -0.79 -0.18 116.57 118.72 1xuq h LYS 117 Ca 0.11 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1xuq h LYS 117 Cb 0.12 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1xuq h LYS 117 CO -0.16 0.58 0.31 0.93 -0.57 0.00 0.00 179.45 180.55 1xuq h GLU 118 N 0.91 0.77 -0.50 3.15 5.08 -0.90 0.18 114.58 123.27 1xuq h GLU 118 Ca 0.39 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1xuq h GLU 118 Cb 0.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1xuq h GLU 118 CO -0.20 0.58 -0.05 1.49 -1.00 0.00 0.00 179.01 179.83 1xuq h GLU 119 N 0.74 0.91 -0.43 2.33 4.81 -0.57 -1.41 114.58 120.96 1xuq h GLU 119 Ca 0.20 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1xuq h GLU 119 Cb 0.03 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1xuq h GLU 119 CO -0.03 0.96 0.18 0.35 -0.73 0.00 0.00 179.01 179.74 1xuq h PHE 120 N 0.77 0.65 -0.53 0.92 3.57 -0.82 -1.13 116.94 120.37 1xuq h PHE 120 Ca 0.14 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1xuq h PHE 120 Cb 0.58 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1xuq h PHE 120 CO 0.04 0.55 0.13 0.00 -2.23 0.00 0.00 178.31 176.81 1xuq h ALA 121 N 1.03 1.24 -0.47 2.41 0.00 -0.87 -0.14 119.26 122.46 1xuq h ALA 121 Ca 0.15 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1xuq h ALA 121 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xuq h ALA 121 CO -0.01 0.53 -0.15 -0.22 0.00 0.00 0.00 179.25 179.39 1xuq h LYS 122 N 0.77 0.94 -0.68 0.00 1.63 -1.09 0.59 116.57 118.74 1xuq h LYS 122 Ca 0.17 -0.38 -0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1xuq h LYS 122 Cb 0.28 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1xuq h LYS 122 CO -0.00 1.04 0.42 0.00 -3.45 0.00 0.00 179.45 177.45 1xuq h ALA 123 N 0.87 0.86 -0.36 5.00 0.00 -0.84 -1.73 119.26 123.07 1xuq h ALA 123 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xuq h ALA 123 Cb 0.71 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xuq h ALA 123 CO 0.05 0.32 0.12 0.78 0.00 0.00 0.00 179.25 180.53 1xuq h GLY 124 N 0.92 0.60 1.46 0.00 0.00 -0.91 -2.84 103.07 102.30 1xuq h GLY 124 Ca 0.24 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 1xuq h GLY 124 CO -0.05 0.33 -0.25 0.00 0.00 0.00 0.00 176.54 176.57 1xuq h ALA 125 N 0.96 0.98 0.00 3.60 0.00 -0.76 -3.25 119.26 120.80 1xuq h ALA 125 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xuq h ALA 125 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xuq h ALA 125 CO -0.00 0.60 -0.19 2.41 0.00 0.00 0.00 179.25 182.07 1xuq n THR 126 N -4.11 0.19 -2.29 0.00 -1.04 -0.66 -4.75 114.28 101.61 1xuq n THR 126 Ca -0.00 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.05 61.49 1xuq n THR 126 Cb 0.43 -0.32 -0.03 0.00 -1.82 0.00 0.00 70.33 68.59 1xuq n THR 126 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1xuq s ARG 127 N -3.05 3.22 -0.11 -2.82 6.06 -1.08 -4.96 118.95 116.22 1xuq s ARG 127 Ca 0.12 0.62 -0.24 0.00 -2.50 0.00 0.00 55.73 53.72 1xuq s ARG 127 Cb 0.16 -4.16 -0.03 0.00 0.06 0.00 0.00 34.95 30.98 1xuq s ARG 127 CO 0.61 -2.02 0.76 0.12 -2.50 0.00 0.00 175.30 172.26 1xuq s PHE 128 N 6.55 3.51 0.00 5.12 5.36 -1.26 -4.76 117.98 132.50 1xuq s PHE 128 Ca 0.58 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 1xuq s PHE 128 Cb -0.13 -2.90 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 1xuq s PHE 128 CO 0.26 -0.06 0.00 0.41 -1.46 0.00 0.00 175.22 174.37 1xuq n GLY 129 N 3.28 -0.69 3.81 13.12 0.00 -1.26 -4.92 105.19 118.53 1xuq n GLY 129 Ca 0.01 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 7.08 0.00 1.61 0.01 -1.26 -4.82 113.70 112.32 1xuq s SER 130 Ca 0.00 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.85 1xuq s SER 130 Cb 0.00 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1xuq s SER 130 CO 0.00 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1xuq n GLY 131 N 0.20 -0.53 3.01 3.44 0.00 -1.26 -1.63 105.19 108.42 1xuq n GLY 131 Ca 0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.17 0.46 -0.02 1.61 0.52 -0.42 -0.72 118.94 117.19 1xuq s TRP 132 Ca 0.00 -0.42 0.03 0.00 0.02 0.00 0.00 56.10 55.73 1xuq s TRP 132 Cb 0.00 -0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 32.00 1xuq s TRP 132 CO 0.00 -0.10 -0.08 0.00 0.02 0.00 0.00 176.95 176.79 1xuq s ALA 133 N -1.14 2.96 0.02 0.98 0.00 0.26 -1.47 121.76 123.38 1xuq s ALA 133 Ca -0.10 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1xuq s ALA 133 Cb -0.08 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1xuq s ALA 133 CO -0.00 0.59 -0.04 -1.58 0.00 0.00 0.00 175.76 174.73 1xuq s TRP 134 N -0.91 0.36 -0.24 0.00 0.52 -0.21 0.03 118.94 118.49 1xuq s TRP 134 Ca 0.15 -0.49 -0.08 0.00 0.02 0.00 0.00 56.10 55.70 1xuq s TRP 134 Cb -0.11 -0.24 -0.03 0.00 -1.15 0.00 0.00 33.47 31.94 1xuq s TRP 134 CO 0.05 -0.15 0.08 -1.17 0.02 0.00 0.00 176.95 175.77 1xuq s LEU 135 N -1.41 3.55 0.28 2.99 2.96 -0.33 -1.28 118.68 125.44 1xuq s LEU 135 Ca -0.14 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1xuq s LEU 135 Cb -0.09 -1.95 -0.06 0.00 0.50 0.00 0.00 46.19 44.59 1xuq s LEU 135 CO -0.01 -0.00 -0.06 0.68 -1.32 0.00 0.00 176.35 175.64 1xuq s VAL 136 N 1.43 1.63 -0.27 1.68 -7.23 0.20 -0.44 120.40 117.40 1xuq s VAL 136 Ca 0.06 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 58.02 1xuq s VAL 136 Cb -0.15 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 1xuq s VAL 136 CO 0.04 -0.30 0.10 -0.69 -0.31 0.00 0.00 175.10 173.94 1xuq s VAL 137 N -3.02 4.45 -0.26 1.32 1.01 0.20 -0.92 120.40 123.18 1xuq s VAL 137 Ca 0.29 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1xuq s VAL 137 Cb 0.04 -3.14 0.06 0.00 0.00 0.00 0.00 36.38 33.34 1xuq s VAL 137 CO 0.12 0.26 -0.11 0.21 0.00 0.00 0.00 175.10 175.58 1xuq s ASN 138 N 1.62 4.41 -1.47 3.32 2.47 0.12 -1.45 114.94 123.96 1xuq s ASN 138 Ca 0.06 -1.38 -0.05 0.00 0.42 0.00 0.00 52.86 51.91 1xuq s ASN 138 Cb -0.16 -1.53 0.01 0.00 -1.45 0.00 0.00 41.25 38.12 1xuq s ASN 138 CO 0.05 -0.19 0.61 0.59 -3.72 0.00 0.00 177.10 174.44 1xuq n ASN 139 N 4.45 -5.94 0.00 -4.21 3.02 -1.26 -1.71 115.26 109.60 1xuq n ASN 139 Ca -0.14 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 1xuq n ASN 139 Cb 0.42 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 34.85 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 -1.52 1.69 3.55 7.41 0.00 -1.26 -5.03 105.19 110.03 1xuq n GLY 140 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.27 2.51 0.12 1.61 0.41 -0.70 -5.06 118.70 117.33 1xuq s GLU 141 Ca 0.00 -0.72 -0.30 0.00 -0.41 0.00 0.00 54.97 53.54 1xuq s GLU 141 Cb 0.00 -2.45 -0.07 0.00 -1.78 0.00 0.00 34.13 29.83 1xuq s GLU 141 CO 0.00 0.61 1.11 -0.51 -0.49 0.00 0.00 175.26 175.98 1xuq s LEU 142 N -1.18 4.44 -0.00 1.80 1.43 -1.26 0.15 118.68 124.06 1xuq s LEU 142 Ca 0.15 2.02 0.01 0.00 -1.03 0.00 0.00 54.13 55.28 1xuq s LEU 142 Cb -0.11 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1xuq s LEU 142 CO 0.05 -0.29 -0.04 -1.61 0.23 0.00 0.00 176.35 174.69 1xuq s GLU 143 N 0.20 0.29 -0.13 1.70 2.02 -0.10 -4.94 118.70 117.74 1xuq s GLU 143 Ca 0.52 -0.14 -0.20 0.00 0.02 0.00 0.00 54.97 55.18 1xuq s GLU 143 Cb -0.28 -0.28 -0.04 0.00 0.10 0.00 0.00 34.13 33.63 1xuq s GLU 143 CO 0.32 0.08 0.55 0.08 0.02 0.00 0.00 175.26 176.31 1xuq s VAL 144 N -0.10 5.13 0.28 2.63 1.01 -1.26 -0.63 120.40 127.45 1xuq s VAL 144 Ca 0.01 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.10 1xuq s VAL 144 Cb -0.02 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1xuq s VAL 144 CO -0.00 0.27 0.17 0.42 0.00 0.00 0.00 175.10 175.95 1xuq s THR 145 N 0.94 0.21 0.04 3.92 -4.23 -0.41 -5.01 115.64 111.11 1xuq s THR 145 Ca 0.29 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1xuq s THR 145 Cb -0.16 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 1xuq s THR 145 CO 0.12 0.00 -0.05 -0.94 -0.54 0.00 0.00 174.62 173.21 1xuq s SER 146 N -3.31 0.63 0.06 3.99 1.04 -1.26 -1.04 113.70 113.79 1xuq s SER 146 Ca 0.37 -0.65 0.06 0.00 0.48 0.00 0.00 55.95 56.21 1xuq s SER 146 Cb 0.05 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 1xuq s SER 146 CO 0.17 -0.33 -0.16 0.42 0.98 0.00 0.00 173.24 174.32 1xuq s THR 147 N -2.05 1.31 0.41 2.02 -4.23 -0.54 -4.98 115.64 107.59 1xuq s THR 147 Ca -0.07 -1.19 -0.23 0.00 -1.18 0.00 0.00 61.69 59.02 1xuq s THR 147 Cb -0.06 -1.19 -0.09 0.00 1.34 0.00 0.00 72.50 72.50 1xuq s THR 147 CO -0.02 -0.02 1.04 -2.16 -0.54 0.00 0.00 174.62 172.92 1xuq s PRO 148 N -1.40 4.12 6.53 3.99 0.04 -1.26 -1.30 135.00 145.72 1xuq s PRO 148 Ca 0.03 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1xuq s PRO 148 Cb -0.09 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1xuq s PRO 148 CO 0.02 -0.17 0.00 0.09 0.04 0.00 0.00 177.00 176.98 1xuq n ASN 149 N -0.25 0.00 -1.06 6.66 5.03 -0.65 -0.72 115.26 124.27 1xuq n ASN 149 Ca 0.06 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.54 1xuq n ASN 149 Cb 0.50 0.00 0.24 0.00 -1.02 0.00 0.00 39.78 39.50 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 2.59 -1.90 3.52 1.13 -1.26 -4.23 117.38 131.23 1xuq n GLN 150 Ca 0.00 -2.96 -0.39 0.00 -1.94 0.00 0.00 57.00 51.71 1xuq n GLN 150 Cb 0.00 -1.86 0.02 0.00 0.11 0.00 0.00 30.24 28.51 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 -2.07 5.78 -0.06 1.08 -0.00 0.10 -4.31 116.67 117.18 1xuq s ASP 151 Ca 0.44 2.74 0.03 0.00 -0.00 0.00 0.00 52.55 55.75 1xuq s ASP 151 Cb 0.37 -2.64 -0.03 0.00 -0.00 0.00 0.00 42.92 40.62 1xuq s ASP 151 CO 0.06 -1.22 -0.12 -0.55 -0.00 0.00 0.00 175.17 173.34 1xuq s SER 152 N -0.81 4.23 0.38 0.27 0.15 -1.26 -4.78 113.70 111.88 1xuq s SER 152 Ca 0.64 -0.14 0.09 0.00 0.70 0.00 0.00 55.95 57.24 1xuq s SER 152 Cb -0.40 -0.98 0.84 0.00 -1.71 0.00 0.00 66.02 63.78 1xuq s SER 152 CO 0.49 0.35 1.95 -0.65 1.20 0.00 0.00 173.24 176.57 1xuq h PRO 153 N 5.36 0.62 -1.29 5.44 0.11 -1.95 -2.44 132.00 137.85 1xuq h PRO 153 Ca -0.47 -0.04 0.37 0.00 0.11 0.00 0.00 66.00 65.98 1xuq h PRO 153 Cb 1.16 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.05 1xuq h PRO 153 CO 0.51 0.41 0.89 -0.07 -0.21 0.00 0.00 178.00 179.54 1xuq h LEU 154 N 0.64 0.14 -0.89 2.35 3.38 -1.82 0.20 115.31 119.31 1xuq h LEU 154 Ca 0.33 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.22 1xuq h LEU 154 Cb 0.44 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1xuq h LEU 154 CO -0.12 -0.01 -0.54 0.74 0.09 0.00 0.00 178.44 178.60 1xuq h THR 155 N 0.10 1.39 -0.24 0.22 2.02 -1.61 -2.61 112.91 112.17 1xuq h THR 155 Ca 0.67 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1xuq h THR 155 Cb 2.36 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 70.76 1xuq h THR 155 CO -0.14 0.53 0.00 -0.62 0.37 0.00 0.00 175.52 175.67 1xuq n GLU 156 N -3.90 1.62 -1.26 6.66 1.02 0.65 -4.91 120.64 120.52 1xuq n GLU 156 Ca -0.01 -0.96 -0.06 0.00 -0.02 0.00 0.00 57.16 56.10 1xuq n GLU 156 Cb 0.55 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.97 0.81 3.61 0.62 0.00 -0.98 -5.03 105.19 105.19 1xuq n GLY 157 Ca 0.11 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.69 2.46 -0.24 1.61 1.02 -0.77 -4.77 119.74 116.35 1xuq s LYS 158 Ca 0.00 -0.82 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 1xuq s LYS 158 Cb 0.00 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1xuq s LYS 158 CO 0.00 0.57 0.00 0.99 -0.92 0.00 0.00 175.35 175.99 1xuq s THR 159 N -1.12 3.67 0.18 2.17 2.01 -0.53 -2.23 115.64 119.79 1xuq s THR 159 Ca 0.20 -0.47 -0.32 0.00 0.31 0.00 0.00 61.69 61.42 1xuq s THR 159 Cb -0.11 -2.73 -0.11 0.00 0.01 0.00 0.00 72.50 69.57 1xuq s THR 159 CO 0.11 0.34 1.60 -2.84 -0.69 0.00 0.00 174.62 173.15 1xuq s PRO 160 N 1.51 4.19 -0.17 4.92 0.02 -1.26 -0.63 135.00 143.58 1xuq s PRO 160 Ca 0.05 2.42 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 1xuq s PRO 160 Cb -0.15 -3.13 -0.07 0.00 0.02 0.00 0.00 34.50 31.17 1xuq s PRO 160 CO -0.01 -0.64 -0.25 0.28 -0.33 0.00 0.00 177.00 176.05 1xuq n VAL 161 N 3.91 1.17 -4.26 3.83 0.31 0.42 -4.88 118.33 118.83 1xuq n VAL 161 Ca 0.14 -0.13 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 1xuq n VAL 161 Cb 0.38 -1.87 -0.10 0.00 -0.91 0.00 0.00 33.84 31.34 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 -2.44 0.57 0.03 2.52 -4.36 -1.06 -4.66 121.20 111.81 1xuq s ILE 162 Ca -0.25 -1.98 -0.27 0.00 -0.26 0.00 0.00 60.65 57.88 1xuq s ILE 162 Cb 0.08 -2.31 0.08 0.00 1.25 0.00 0.00 42.46 41.56 1xuq s ILE 162 CO 0.33 -0.29 0.73 -0.83 0.24 0.00 0.00 174.94 175.12 1xuq s GLY 163 N -3.21 -0.54 -0.03 6.27 0.00 -1.26 -1.19 107.32 107.36 1xuq s GLY 163 Ca 0.29 0.99 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1xuq s GLY 163 CO 0.08 0.50 -0.00 -2.27 0.00 0.00 0.00 173.10 171.40 1xuq s LEU 164 N -2.10 1.16 -0.33 0.66 2.96 0.10 -4.95 118.68 116.19 1xuq s LEU 164 Ca -0.02 -0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 1xuq s LEU 164 Cb -0.01 -0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.43 1xuq s LEU 164 CO -0.04 -0.10 1.35 -0.62 -1.32 0.00 0.00 176.35 175.62 1xuq s ASP 165 N 1.05 6.56 -0.23 3.68 2.15 -1.26 -0.57 116.67 128.04 1xuq s ASP 165 Ca -0.09 1.13 0.14 0.00 0.43 0.00 0.00 52.55 54.16 1xuq s ASP 165 Cb -0.14 -2.54 0.64 0.00 -0.30 0.00 0.00 42.92 40.58 1xuq s ASP 165 CO -0.02 -1.19 1.57 1.33 -0.17 0.00 0.00 175.17 176.69 1xuq n VAL 166 N 6.47 2.54 -1.99 1.11 0.24 0.10 -4.82 118.33 121.98 1xuq n VAL 166 Ca 0.15 -1.80 -0.41 0.00 -2.04 0.00 0.00 64.34 60.25 1xuq n VAL 166 Cb 0.47 -0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 32.54 1xuq n VAL 166 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1xuq s TRP 167 N -2.88 2.85 0.49 6.34 0.52 -1.16 -4.38 118.94 120.71 1xuq s TRP 167 Ca 0.48 1.32 0.25 0.00 0.02 0.00 0.00 56.10 58.17 1xuq s TRP 167 Cb 0.38 -3.82 1.32 0.00 -1.15 0.00 0.00 33.47 30.21 1xuq s TRP 167 CO 0.11 -2.32 1.90 0.93 0.02 0.00 0.00 176.95 177.58 1xuq h GLU 168 N 3.18 0.15 -0.15 4.98 5.08 -1.93 -1.02 114.58 124.86 1xuq h GLU 168 Ca -0.50 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1xuq h GLU 168 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1xuq h GLU 168 CO 0.65 0.10 0.13 1.12 -1.00 0.00 0.00 179.01 180.00 1xuq h HIS 169 N 0.15 0.00 0.00 4.33 2.07 -1.98 0.17 115.15 119.89 1xuq h HIS 169 Ca 0.41 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.88 1xuq h HIS 169 Cb 1.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.36 1xuq h HIS 169 CO -0.00 0.00 -0.22 0.00 -3.07 0.00 0.00 177.93 174.64 1xuq h ALA 170 N 1.88 1.05 0.00 6.11 0.00 -1.50 -3.39 119.26 123.42 1xuq h ALA 170 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xuq h ALA 170 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xuq h ALA 170 CO -0.00 0.28 0.00 2.48 0.00 0.00 0.00 179.25 182.00 1xuq n TYR 171 N -3.43 0.00 -0.22 0.00 0.18 -0.82 -4.93 117.16 107.95 1xuq n TYR 171 Ca -0.00 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.69 1xuq n TYR 171 Cb 0.41 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.41 1xuq n TYR 171 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1xuq h TYR 172 N 0.00 1.16 -0.94 -3.48 3.20 -0.88 0.31 116.97 116.34 1xuq h TYR 172 Ca 0.00 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1xuq h TYR 172 Cb 0.01 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.93 1xuq h TYR 172 CO 0.00 1.01 0.59 -0.07 -1.64 0.00 0.00 178.16 178.05 1xuq h LEU 173 N 0.99 1.11 0.00 2.82 3.38 -1.86 -0.02 115.31 121.73 1xuq h LEU 173 Ca 0.18 -0.05 -0.32 0.00 0.09 0.00 0.00 57.88 57.78 1xuq h LEU 173 Cb 0.52 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1xuq h LEU 173 CO 0.03 0.83 -2.01 -3.20 0.09 0.00 0.00 178.44 174.17 1xuq n ASN 174 N -4.39 0.47 0.00 -0.43 4.05 -1.06 -4.63 115.26 109.27 1xuq n ASN 174 Ca 0.11 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.36 1xuq n ASN 174 Cb 0.04 0.43 0.00 0.00 1.23 0.00 0.00 39.78 41.48 1xuq n ASN 174 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1xuq n TYR 175 N -2.91 0.00 0.00 1.20 4.01 0.07 -5.08 117.16 114.45 1xuq n TYR 175 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1xuq n TYR 175 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.13 1xuq n TYR 175 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1xuq n GLN 176 N -0.72 0.00 0.00 -0.72 3.00 -0.02 -0.73 117.38 118.18 1xuq n GLN 176 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1xuq n GLN 176 Cb 0.01 0.00 0.66 0.00 0.00 0.00 0.00 30.24 30.91 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 2.24 0.00 -3.46 1.08 6.94 -1.26 -4.46 115.26 116.34 1xuq n ASN 177 Ca 0.00 -0.24 -0.39 0.00 -0.02 0.00 0.00 54.58 53.92 1xuq n ASN 177 Cb 0.00 -0.22 -0.02 0.00 -2.36 0.00 0.00 39.78 37.18 1xuq n ASN 177 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xuq n ARG 178 N -1.22 3.25 -0.14 -3.83 1.74 0.09 -4.73 116.66 111.82 1xuq n ARG 178 Ca 0.14 -2.28 -0.04 0.00 -0.77 0.00 0.00 57.85 54.90 1xuq n ARG 178 Cb 0.17 -2.95 0.04 0.00 -1.02 0.00 0.00 32.46 28.71 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 5.52 0.23 -0.92 5.56 2.43 -1.84 -2.30 114.38 123.07 1xuq h ARG 179 Ca 0.74 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.99 1xuq h ARG 179 Cb 0.41 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 1xuq h ARG 179 CO 1.81 0.16 0.59 -1.35 -1.51 0.00 0.00 179.97 179.67 1xuq h PRO 180 N 0.24 0.90 -0.48 0.20 0.11 -1.96 -0.21 132.00 130.80 1xuq h PRO 180 Ca 0.21 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 1xuq h PRO 180 Cb 0.26 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1xuq h PRO 180 CO -0.27 0.60 0.08 -0.44 -0.21 0.00 0.00 178.00 177.76 1xuq h ASP 181 N 0.93 0.77 -0.11 -2.05 3.32 -1.83 -1.28 116.42 116.16 1xuq h ASP 181 Ca 0.42 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1xuq h ASP 181 Cb 0.39 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 1xuq h ASP 181 CO -0.19 0.83 -0.16 0.22 -1.72 0.00 0.00 179.24 178.22 1xuq h TYR 182 N 0.67 -0.42 -0.99 4.55 3.20 -0.98 -0.59 116.97 122.42 1xuq h TYR 182 Ca 0.15 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.12 1xuq h TYR 182 Cb 0.39 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.79 1xuq h TYR 182 CO 0.03 -0.24 0.63 0.82 -1.64 0.00 0.00 178.16 177.77 1xuq h ILE 183 N -0.21 1.05 -0.73 1.81 2.04 -0.85 -1.02 117.51 119.59 1xuq h ILE 183 Ca 0.09 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1xuq h ILE 183 Cb 0.34 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 1xuq h ILE 183 CO -0.24 0.20 0.48 1.23 0.00 0.00 0.00 178.15 179.82 1xuq h GLY 184 N 1.12 1.03 1.87 5.37 0.00 -0.92 -2.54 103.07 108.99 1xuq h GLY 184 Ca 0.44 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 1xuq h GLY 184 CO -0.19 0.36 -0.22 0.00 0.00 0.00 0.00 176.54 176.48 1xuq h ALA 185 N 1.27 1.45 -0.26 3.60 0.00 0.11 -2.85 119.26 122.59 1xuq h ALA 185 Ca 0.27 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1xuq h ALA 185 Cb -0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xuq h ALA 185 CO -0.07 0.39 0.19 0.35 0.00 0.00 0.00 179.25 180.11 1xuq h PHE 186 N 0.15 0.00 0.00 0.00 3.57 -0.83 -2.10 116.94 117.73 1xuq h PHE 186 Ca 0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1xuq h PHE 186 Cb 0.48 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1xuq h PHE 186 CO 0.01 0.00 -0.13 -1.49 -2.23 0.00 0.00 178.31 174.46 1xuq h TRP 187 N 0.00 0.00 -0.00 0.41 -0.00 -1.55 -0.82 115.95 113.99 1xuq h TRP 187 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.02 1xuq h TRP 187 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.66 1xuq h TRP 187 CO 0.00 0.13 -0.12 0.09 -0.00 0.00 0.00 178.44 178.55 1xuq n ASN 188 N -3.43 0.31 0.00 -3.49 3.02 -0.79 -3.94 115.26 106.94 1xuq n ASN 188 Ca -0.01 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 1xuq n ASN 188 Cb 0.31 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1xuq n ASN 188 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1xuq n VAL 189 N -1.17 0.00 -2.08 2.41 0.24 -0.94 -3.52 118.33 113.27 1xuq n VAL 189 Ca 0.12 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.76 1xuq n VAL 189 Cb 0.29 1.10 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.40 2.74 -0.55 3.34 0.11 -0.36 -1.00 120.40 124.28 1xuq s VAL 190 Ca 0.00 0.68 -0.15 0.00 -2.93 0.00 0.00 61.98 59.57 1xuq s VAL 190 Cb 0.00 -3.43 0.14 0.00 -1.53 0.00 0.00 36.38 31.55 1xuq s VAL 190 CO 0.00 0.14 0.51 -0.62 -3.33 0.00 0.00 175.10 171.79 1xuq s ASP 191 N -0.07 6.19 0.48 3.54 -1.08 0.28 0.18 116.67 126.20 1xuq s ASP 191 Ca 0.54 -1.86 0.27 0.00 -0.52 0.00 0.00 52.55 50.98 1xuq s ASP 191 Cb -0.40 -2.20 1.16 0.00 -1.46 0.00 0.00 42.92 40.02 1xuq s ASP 191 CO 0.48 -0.83 1.92 -0.50 0.52 0.00 0.00 175.17 176.76 1xuq h TRP 192 N 8.79 0.00 -0.02 -5.34 4.06 -1.88 -0.88 115.95 120.69 1xuq h TRP 192 Ca -0.27 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.68 1xuq h TRP 192 Cb 1.09 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.25 1xuq h TRP 192 CO 0.74 0.16 0.00 -0.91 -3.56 0.00 0.00 178.44 174.87 1xuq h ASN 193 N 0.00 0.02 -0.90 -3.49 2.35 -1.94 0.20 115.58 111.82 1xuq h ASN 193 Ca -0.00 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1xuq h ASN 193 Cb 0.60 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1xuq h ASN 193 CO 0.02 0.28 0.49 0.00 -1.65 0.00 0.00 177.43 176.57 1xuq h ALA 194 N 0.74 1.17 -0.58 -0.83 0.00 -1.86 -2.44 119.26 115.46 1xuq h ALA 194 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xuq h ALA 194 Cb 0.27 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xuq h ALA 194 CO 0.00 0.67 0.38 0.00 0.00 0.00 0.00 179.25 180.29 1xuq h ALA 195 N 1.28 0.74 -0.35 0.00 0.00 -0.98 -1.72 119.26 118.24 1xuq h ALA 195 Ca 0.32 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1xuq h ALA 195 Cb 0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1xuq h ALA 195 CO -0.05 0.19 -0.00 1.49 0.00 0.00 0.00 179.25 180.88 1xuq h GLU 196 N 0.79 0.09 -0.30 0.00 4.57 -0.63 0.10 114.58 119.20 1xuq h GLU 196 Ca 0.21 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.44 1xuq h GLU 196 Cb -0.07 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.45 1xuq h GLU 196 CO -0.04 0.06 -0.00 0.87 -1.18 0.00 0.00 179.01 178.71 1xuq h LYS 197 N 0.09 0.08 -0.49 1.92 1.57 -1.08 0.36 116.57 119.03 1xuq h LYS 197 Ca 0.17 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1xuq h LYS 197 Cb 0.23 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1xuq h LYS 197 CO -0.29 0.05 0.25 0.00 -0.57 0.00 0.00 179.45 178.90 1xuq h ARG 198 N 0.09 0.68 0.15 3.15 3.08 -0.85 0.92 114.38 121.60 1xuq h ARG 198 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1xuq h ARG 198 Cb 0.20 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1xuq h ARG 198 CO -0.25 0.52 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.18 1xuq h TYR 199 N 0.69 -0.19 -0.52 3.04 3.20 0.44 -3.19 116.97 120.43 1xuq h TYR 199 Ca 0.17 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.09 1xuq h TYR 199 Cb 0.05 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 1xuq h TYR 199 CO 0.00 0.16 0.26 1.96 -1.64 0.00 0.00 178.16 178.91 1xuq h GLN 200 N -0.57 0.49 -0.96 1.82 1.08 -0.11 -2.97 115.11 113.88 1xuq h GLN 200 Ca -0.02 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1xuq h GLN 200 Cb 0.44 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1xuq h GLN 200 CO 0.03 0.32 0.00 0.39 -0.95 0.00 0.00 178.83 178.63 1xuq n GLU 201 N -4.89 0.83 0.00 1.46 1.02 0.32 -5.08 120.64 114.30 1xuq n GLU 201 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1xuq n GLU 201 Cb 0.14 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1xuq n GLU 201 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31