#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xil s HIS 2 N 0.00 3.34 0.15 5.64 3.76 -1.26 -5.06 115.29 121.86 1xil s HIS 2 Ca 0.00 1.36 -0.06 0.00 -0.15 0.00 0.00 55.06 56.21 1xil s HIS 2 Cb 0.00 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 30.86 1xil s HIS 2 CO 0.00 -1.00 0.20 -1.54 -0.85 0.00 0.00 174.74 171.55 1xil s SER 3 N -3.97 0.14 -0.39 1.40 1.04 -1.26 -4.96 113.70 105.70 1xil s SER 3 Ca 0.57 -0.99 -0.25 0.00 0.48 0.00 0.00 55.95 55.76 1xil s SER 3 Cb -0.13 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1xil s SER 3 CO 0.55 -0.83 0.87 -0.22 0.98 0.00 0.00 173.24 174.58 1xil s LEU 4 N -3.00 4.06 0.40 2.42 2.96 -1.26 -5.03 118.68 119.23 1xil s LEU 4 Ca 0.20 0.38 -0.26 0.00 -0.22 0.00 0.00 54.13 54.23 1xil s LEU 4 Cb 0.05 -3.15 -0.09 0.00 0.50 0.00 0.00 46.19 43.50 1xil s LEU 4 CO 0.01 -0.85 1.27 -2.16 -1.32 0.00 0.00 176.35 173.29 1xil s PRO 5 N 3.39 4.00 0.55 0.98 0.04 -1.26 -5.01 135.00 137.69 1xil s PRO 5 Ca 0.35 2.07 -0.19 0.00 0.04 0.00 0.00 61.00 63.27 1xil s PRO 5 Cb -0.12 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 1xil s PRO 5 CO 0.20 -0.44 1.13 -0.51 0.04 0.00 0.00 177.00 177.41 1xil s ASP 6 N -0.84 5.66 0.59 6.66 -0.00 -1.26 -5.02 116.67 122.47 1xil s ASP 6 Ca 0.57 2.16 -0.18 0.00 -0.00 0.00 0.00 52.55 55.10 1xil s ASP 6 Cb -0.36 -2.58 -0.03 0.00 -0.00 0.00 0.00 42.92 39.95 1xil s ASP 6 CO 0.46 -1.26 1.13 -0.76 -0.00 0.00 0.00 175.17 174.74 1xil s LEU 7 N -3.90 3.61 0.00 1.23 1.43 -1.26 -5.10 118.68 114.69 1xil s LEU 7 Ca 0.72 2.14 0.03 0.00 -1.03 0.00 0.00 54.13 55.99 1xil s LEU 7 Cb -0.24 -4.57 0.19 0.00 0.03 0.00 0.00 46.19 41.60 1xil s LEU 7 CO 0.28 -1.42 0.55 -2.65 0.23 0.00 0.00 176.35 173.35 1xil n PRO 8 N -1.74 0.33 0.00 1.29 -0.02 -1.26 -5.19 135.00 128.41 1xil n PRO 8 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1xil n PRO 8 Cb 0.51 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 1xil n PRO 8 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xil n ASP 10 N -0.65 0.00 0.00 2.55 -0.08 -1.26 -5.06 116.55 112.05 1xil n ASP 10 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1xil n ASP 10 Cb 0.01 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1xil n ASP 10 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xil n GLY 12 N 5.00 0.00 0.00 0.27 0.00 -1.26 -4.61 105.19 104.59 1xil n GLY 12 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1xil n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xil n ALA 13 N 0.00 2.43 -0.12 4.61 0.00 -1.26 -2.75 120.51 123.42 1xil n ALA 13 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.39 1xil n ALA 13 Cb 0.00 -1.48 0.20 0.00 0.00 0.00 0.00 19.45 18.17 1xil n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xil n LEU 14 N -1.37 3.22 -4.77 0.00 4.77 -1.26 -4.38 117.00 113.20 1xil n LEU 14 Ca 0.11 -1.85 -0.37 0.00 -0.03 0.00 0.00 56.01 53.86 1xil n LEU 14 Cb 0.28 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1xil n LEU 14 CO 0.25 0.78 0.86 -1.61 -1.33 0.00 0.00 177.39 176.34 1xil s GLU 15 N -1.05 3.70 -0.00 3.23 0.41 -1.11 -0.30 118.70 123.58 1xil s GLU 15 Ca 0.32 1.86 0.15 0.00 -0.41 0.00 0.00 54.97 56.89 1xil s GLU 15 Cb 0.17 -2.42 0.42 0.00 -1.78 0.00 0.00 34.13 30.53 1xil s GLU 15 CO 0.23 -0.63 1.35 -0.35 -0.49 0.00 0.00 175.26 175.37 1xil n PRO 16 N -0.50 2.14 0.08 0.39 -0.04 -1.26 -4.89 135.00 130.91 1xil n PRO 16 Ca 0.07 -1.72 -0.20 0.00 -0.04 0.00 0.00 63.50 61.62 1xil n PRO 16 Cb 0.47 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 1xil n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xil h HIS 17 N 2.78 0.91 -3.29 0.54 3.86 -1.00 -3.41 115.15 115.54 1xil h HIS 17 Ca 0.00 -0.55 -0.51 0.00 -1.16 0.00 0.00 60.37 58.16 1xil h HIS 17 Cb 0.66 -0.08 -0.39 0.00 1.06 0.00 0.00 27.41 28.66 1xil h HIS 17 CO 0.33 1.39 -0.77 0.42 0.86 0.00 0.00 177.93 180.15 1xil s ILE 18 N -3.08 0.64 0.84 2.45 1.01 -0.74 -4.80 121.20 117.52 1xil s ILE 18 Ca -0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 1xil s ILE 18 Cb 0.07 -0.97 0.09 0.00 0.01 0.00 0.00 42.46 41.66 1xil s ILE 18 CO 0.92 -0.00 1.11 0.54 0.00 0.00 0.00 174.94 177.50 1xil s ASN 19 N 1.83 4.12 0.24 3.58 2.20 -1.26 -3.36 114.94 122.28 1xil s ASN 19 Ca 0.01 1.22 -0.06 0.00 -0.94 0.00 0.00 52.86 53.08 1xil s ASN 19 Cb -0.15 -1.90 0.24 0.00 -2.00 0.00 0.00 41.25 37.44 1xil s ASN 19 CO -0.07 -2.20 1.89 0.00 -2.94 0.00 0.00 177.10 173.79 1xil h ALA 20 N -1.25 1.22 -0.45 3.54 0.00 -1.96 -2.57 119.26 117.79 1xil h ALA 20 Ca -0.48 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.37 1xil h ALA 20 Cb 1.29 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1xil h ALA 20 CO 0.60 0.67 0.21 0.37 0.00 0.00 0.00 179.25 181.10 1xil h GLN 21 N 1.32 0.41 -0.23 0.00 4.15 -1.99 0.11 115.11 118.87 1xil h GLN 21 Ca 0.34 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 1xil h GLN 21 Cb -0.07 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1xil h GLN 21 CO -0.07 0.27 0.09 0.82 -1.93 0.00 0.00 178.83 178.02 1xil h ILE 22 N 0.43 1.17 -1.01 2.39 2.04 -1.87 -1.46 117.51 119.20 1xil h ILE 22 Ca 0.20 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.61 1xil h ILE 22 Cb 0.12 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 1xil h ILE 22 CO -0.15 0.17 0.65 0.24 0.00 0.00 0.00 178.15 179.06 1xil h MET 23 N 0.22 1.14 0.04 2.37 2.86 -1.04 0.29 114.93 120.81 1xil h MET 23 Ca 0.08 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xil h MET 23 Cb 0.18 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1xil h MET 23 CO -0.01 0.76 -0.02 0.37 1.06 0.00 0.00 176.91 179.07 1xil h GLN 24 N 1.18 -0.05 -0.42 1.72 4.15 -0.56 -1.65 115.11 119.48 1xil h GLN 24 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.86 1xil h GLN 24 Cb 0.17 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 1xil h GLN 24 CO -0.18 0.26 0.28 -0.07 -1.93 0.00 0.00 178.83 177.19 1xil h LEU 25 N -0.36 0.49 -0.45 -2.39 3.38 -1.08 0.14 115.31 115.04 1xil h LEU 25 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xil h LEU 25 Cb 0.33 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xil h LEU 25 CO 0.01 0.36 0.26 -0.74 0.09 0.00 0.00 178.44 178.42 1xil h HIS 26 N 0.57 0.60 0.09 1.13 2.76 -0.34 -0.57 115.15 119.39 1xil h HIS 26 Ca 0.15 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1xil h HIS 26 Cb -0.06 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.71 1xil h HIS 26 CO -0.04 0.43 -0.04 1.25 -1.30 0.00 0.00 177.93 178.22 1xil h HIS 27 N 0.59 -0.11 0.00 5.26 -0.00 -1.26 -0.86 115.15 118.76 1xil h HIS 27 Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1xil h HIS 27 Cb 0.02 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1xil h HIS 27 CO -0.03 0.39 -0.49 0.66 -0.00 0.00 0.00 177.93 178.46 1xil h SER 28 N -0.90 0.00 0.00 3.26 4.64 -0.72 -2.75 113.55 117.07 1xil h SER 28 Ca -0.01 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1xil h SER 28 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1xil h SER 28 CO 0.02 0.06 -0.48 0.29 -0.87 0.00 0.00 176.83 175.85 1xil n LYS 29 N -2.28 0.26 0.02 4.77 4.76 -0.30 -4.39 118.16 120.99 1xil n LYS 29 Ca 0.03 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 1xil n LYS 29 Cb 0.46 -0.94 -0.09 0.00 -1.84 0.00 0.00 35.03 32.61 1xil n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xil h HIS 30 N -0.48 -0.04 -0.30 2.13 3.86 -1.30 -2.34 115.15 116.68 1xil h HIS 30 Ca 0.00 -0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 1xil h HIS 30 Cb 0.48 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1xil h HIS 30 CO -0.21 0.31 -0.45 1.25 0.86 0.00 0.00 177.93 179.69 1xil h HIS 31 N -0.39 0.94 -0.91 2.45 -0.00 -1.12 -2.54 115.15 113.58 1xil h HIS 31 Ca -0.00 -0.30 0.13 0.00 -0.00 0.00 0.00 60.37 60.20 1xil h HIS 31 Cb 0.36 -0.19 -0.09 0.00 -0.00 0.00 0.00 27.41 27.49 1xil h HIS 31 CO 0.04 1.08 0.53 0.00 -0.00 0.00 0.00 177.93 179.59 1xil h ALA 32 N 0.87 1.38 -0.37 5.26 0.00 -1.50 -1.21 119.26 123.70 1xil h ALA 32 Ca 0.04 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1xil h ALA 32 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1xil h ALA 32 CO 0.10 0.07 -0.31 0.00 0.00 0.00 0.00 179.25 179.11 1xil h ALA 33 N 1.53 0.77 -0.38 0.00 0.00 -1.20 -1.30 119.26 118.69 1xil h ALA 33 Ca 0.47 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xil h ALA 33 Cb 0.55 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1xil h ALA 33 CO -0.30 0.65 0.16 0.74 0.00 0.00 0.00 179.25 180.50 1xil h PHE 34 N 0.67 0.28 -0.25 0.00 0.05 -0.83 0.40 116.94 117.26 1xil h PHE 34 Ca 0.07 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 1xil h PHE 34 Cb 0.85 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.72 1xil h PHE 34 CO 0.05 0.13 0.13 0.28 -0.18 0.00 0.00 178.31 178.71 1xil h VAL 35 N 0.33 1.14 -0.20 -0.55 2.07 -0.89 0.13 116.25 118.27 1xil h VAL 35 Ca 0.17 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1xil h VAL 35 Cb 0.12 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1xil h VAL 35 CO -0.15 0.14 -0.05 0.78 0.02 0.00 0.00 177.57 178.32 1xil h ASN 36 N 0.28 -0.18 0.19 0.57 2.35 -1.00 -1.26 115.58 116.53 1xil h ASN 36 Ca 0.09 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 1xil h ASN 36 Cb 0.10 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1xil h ASN 36 CO -0.01 -0.06 -0.37 0.78 -1.65 0.00 0.00 177.43 176.11 1xil h ASN 37 N 0.01 0.27 -0.38 5.81 2.35 -0.79 -2.37 115.58 120.47 1xil h ASN 37 Ca 0.10 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1xil h ASN 37 Cb 0.15 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1xil h ASN 37 CO -0.20 0.63 0.23 0.25 -1.65 0.00 0.00 177.43 176.68 1xil h LEU 38 N 0.22 0.46 -0.11 1.61 5.85 -0.40 -0.88 115.31 122.06 1xil h LEU 38 Ca 0.02 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1xil h LEU 38 Cb 0.77 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1xil h LEU 38 CO 0.06 0.38 0.04 0.78 -0.34 0.00 0.00 178.44 179.36 1xil h ASN 39 N 0.49 0.05 -0.20 1.25 2.35 -1.09 0.06 115.58 118.50 1xil h ASN 39 Ca 0.14 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.95 1xil h ASN 39 Cb 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 1xil h ASN 39 CO -0.02 0.05 -0.23 0.58 -1.65 0.00 0.00 177.43 176.15 1xil h VAL 40 N 0.10 0.43 -0.61 2.81 2.07 -1.34 -2.09 116.25 117.62 1xil h VAL 40 Ca 0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1xil h VAL 40 Cb 0.02 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1xil h VAL 40 CO -0.05 0.00 0.24 0.74 0.02 0.00 0.00 177.57 178.52 1xil h THR 41 N -0.26 1.23 -0.72 2.57 2.02 -0.84 -0.63 112.91 116.29 1xil h THR 41 Ca 0.12 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1xil h THR 41 Cb 0.44 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1xil h THR 41 CO -0.34 0.28 0.29 -0.33 0.37 0.00 0.00 175.52 175.79 1xil h GLU 42 N 0.84 1.05 -0.50 6.66 5.08 -0.90 -2.58 114.58 124.24 1xil h GLU 42 Ca 0.20 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1xil h GLU 42 Cb 0.21 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1xil h GLU 42 CO -0.02 0.85 -0.18 0.93 -1.00 0.00 0.00 179.01 179.59 1xil h GLU 43 N 1.03 0.99 -1.67 2.33 5.08 -0.77 -0.16 114.58 121.41 1xil h GLU 43 Ca 0.24 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1xil h GLU 43 Cb 0.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1xil h GLU 43 CO -0.02 1.08 0.00 1.17 -1.00 0.00 0.00 179.01 180.23 1xil n LYS 44 N -4.12 0.33 0.00 2.33 4.81 -0.30 -2.39 118.16 118.83 1xil n LYS 44 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1xil n LYS 44 Cb 0.44 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1xil n LYS 44 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1xil n GLN 46 N 0.83 0.00 -0.25 1.64 -0.06 -0.07 -1.52 117.38 117.95 1xil n GLN 46 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.93 1xil n GLN 46 Cb 0.17 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.39 1xil n GLN 46 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1xil h GLU 47 N 0.00 1.08 -0.39 3.69 5.08 -1.74 0.24 114.58 122.54 1xil h GLU 47 Ca 0.00 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1xil h GLU 47 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1xil h GLU 47 CO 0.00 0.93 0.02 0.00 -1.00 0.00 0.00 179.01 178.97 1xil h ALA 48 N 1.10 0.52 -0.14 3.43 0.00 -1.56 -2.68 119.26 119.93 1xil h ALA 48 Ca 0.22 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xil h ALA 48 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xil h ALA 48 CO -0.01 0.27 0.05 1.25 0.00 0.00 0.00 179.25 180.82 1xil h LEU 49 N 0.50 0.06 -2.04 0.00 5.85 -1.75 -0.39 115.31 117.54 1xil h LEU 49 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xil h LEU 49 Cb 0.43 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1xil h LEU 49 CO 0.02 0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.17 1xil h ALA 50 N 1.08 1.97 -0.00 1.25 0.00 -0.40 -1.57 119.26 121.59 1xil h ALA 50 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xil h ALA 50 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xil h ALA 50 CO -0.06 -0.01 -0.47 1.63 0.00 0.00 0.00 179.25 180.34 1xil n LYS 51 N -4.48 0.40 -2.55 0.00 5.02 -0.87 -4.94 118.16 110.74 1xil n LYS 51 Ca -0.03 -0.26 -0.21 0.00 -2.02 0.00 0.00 58.31 55.79 1xil n LYS 51 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1xil n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xil n GLY 52 N 1.44 -0.49 3.53 0.72 0.00 -0.29 -4.93 105.19 105.15 1xil n GLY 52 Ca 0.08 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1xil n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xil s ASP 53 N -2.22 6.39 0.16 1.61 3.68 -0.40 -4.85 116.67 121.03 1xil s ASP 53 Ca 0.07 -1.22 -0.02 0.00 2.13 0.00 0.00 52.55 53.51 1xil s ASP 53 Cb -0.03 -2.52 -0.01 0.00 -1.45 0.00 0.00 42.92 38.91 1xil s ASP 53 CO 0.09 -1.52 1.38 0.58 0.13 0.00 0.00 175.17 175.84 1xil h VAL 54 N 6.33 1.39 -0.66 1.11 2.07 -1.92 -2.15 116.25 122.42 1xil h VAL 54 Ca 0.00 -2.28 0.01 0.00 0.82 0.00 0.00 66.70 65.24 1xil h VAL 54 Cb 1.03 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 1xil h VAL 54 CO 1.30 0.68 0.44 0.74 0.02 0.00 0.00 177.57 180.75 1xil h THR 55 N 0.25 1.17 -0.49 2.57 2.02 -1.98 0.85 112.91 117.29 1xil h THR 55 Ca -0.05 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 66.71 1xil h THR 55 Cb 1.42 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1xil h THR 55 CO 0.14 0.17 -0.10 0.00 0.37 0.00 0.00 175.52 176.10 1xil h ALA 56 N 1.24 0.89 -0.41 6.16 0.00 -1.95 -0.91 119.26 124.29 1xil h ALA 56 Ca 0.24 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xil h ALA 56 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1xil h ALA 56 CO -0.05 0.64 0.17 1.96 0.00 0.00 0.00 179.25 181.97 1xil h GLN 57 N 0.81 0.35 -0.35 0.00 4.20 -0.80 -1.35 115.11 117.97 1xil h GLN 57 Ca 0.13 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 1xil h GLN 57 Cb 0.62 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1xil h GLN 57 CO 0.04 0.23 -0.34 0.82 -0.67 0.00 0.00 178.83 178.92 1xil h ILE 58 N 0.36 1.28 0.00 2.54 2.04 -0.66 -2.87 117.51 120.20 1xil h ILE 58 Ca 0.18 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 1xil h ILE 58 Cb 0.13 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1xil h ILE 58 CO -0.16 0.49 -0.12 0.00 0.00 0.00 0.00 178.15 178.36 1xil h ALA 59 N 0.95 1.34 0.00 1.87 0.00 -0.69 -1.98 119.26 120.76 1xil h ALA 59 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xil h ALA 59 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xil h ALA 59 CO 0.08 0.15 -0.14 1.28 0.00 0.00 0.00 179.25 180.62 1xil n LEU 60 N -3.73 0.32 -0.18 0.00 4.77 -0.55 -4.34 117.00 113.30 1xil n LEU 60 Ca -0.02 0.40 -0.08 0.00 -0.03 0.00 0.00 56.01 56.29 1xil n LEU 60 Cb 0.23 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1xil n LEU 60 CO 0.31 -0.02 1.00 1.56 -1.33 0.00 0.00 177.39 178.90 1xil h GLN 61 N 0.00 0.73 -0.80 3.23 4.20 -1.27 -1.35 115.11 119.85 1xil h GLN 61 Ca 0.00 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.66 1xil h GLN 61 Cb 0.57 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 1xil h GLN 61 CO 0.00 0.60 0.49 -1.35 -0.67 0.00 0.00 178.83 177.90 1xil h PRO 62 N 0.67 0.88 -0.41 1.46 0.11 -1.78 0.21 132.00 133.13 1xil h PRO 62 Ca 0.18 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 1xil h PRO 62 Cb 0.11 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 1xil h PRO 62 CO -0.02 0.58 -0.17 0.00 -0.21 0.00 0.00 178.00 178.18 1xil h ALA 63 N 1.38 0.92 -0.27 -0.75 0.00 -1.79 -1.11 119.26 117.64 1xil h ALA 63 Ca 0.35 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xil h ALA 63 Cb 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xil h ALA 63 CO -0.17 0.62 -0.29 1.25 0.00 0.00 0.00 179.25 180.66 1xil h LEU 64 N 0.70 0.73 -0.52 0.00 7.12 -0.67 -1.46 115.31 121.21 1xil h LEU 64 Ca 0.11 -0.48 -0.09 0.00 0.13 0.00 0.00 57.88 57.54 1xil h LEU 64 Cb 0.67 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 1xil h LEU 64 CO 0.05 1.06 -0.04 0.50 -0.13 0.00 0.00 178.44 179.88 1xil h LYS 65 N 0.41 0.94 -0.01 1.25 3.64 -0.87 0.16 116.57 122.09 1xil h LYS 65 Ca 0.04 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1xil h LYS 65 Cb 0.86 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1xil h LYS 65 CO 0.07 0.98 -0.01 0.35 -2.27 0.00 0.00 179.45 178.57 1xil h PHE 66 N 0.81 0.03 0.13 1.91 3.04 -1.20 0.18 116.94 121.84 1xil h PHE 66 Ca 0.14 -0.01 -0.22 0.00 3.98 0.00 0.00 57.97 61.87 1xil h PHE 66 Cb 0.58 -0.01 0.02 0.00 2.56 0.00 0.00 35.95 39.10 1xil h PHE 66 CO 0.04 0.43 -0.93 -0.91 -2.02 0.00 0.00 178.31 174.93 1xil h ASN 67 N -0.38 0.59 -0.04 0.41 2.35 -1.32 0.73 115.58 117.92 1xil h ASN 67 Ca 0.00 -0.90 0.01 0.00 -0.55 0.00 0.00 56.30 54.87 1xil h ASN 67 Cb 0.42 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1xil h ASN 67 CO 0.00 1.44 -0.04 1.23 -1.65 0.00 0.00 177.43 178.41 1xil h GLY 68 N -0.17 -0.00 1.01 2.83 0.00 -0.80 -0.77 103.07 105.16 1xil h GLY 68 Ca -0.15 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1xil h GLY 68 CO 0.18 -0.05 0.45 -1.33 0.00 0.00 0.00 176.54 175.79 1xil h GLY 69 N -0.05 1.03 1.15 4.60 0.00 -0.69 -0.61 103.07 108.50 1xil h GLY 69 Ca 0.03 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.96 1xil h GLY 69 CO -0.07 0.40 0.56 -1.33 0.00 0.00 0.00 176.54 176.10 1xil h GLY 70 N 0.98 1.20 0.88 4.60 0.00 -0.54 0.49 103.07 110.67 1xil h GLY 70 Ca 0.26 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1xil h GLY 70 CO -0.05 0.42 0.07 0.84 0.00 0.00 0.00 176.54 177.82 1xil h HIS 71 N 1.14 0.28 0.11 5.60 2.76 -0.58 -1.76 115.15 122.70 1xil h HIS 71 Ca 0.32 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1xil h HIS 71 Cb -0.11 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.77 1xil h HIS 71 CO -0.00 0.35 -0.05 0.82 -1.30 0.00 0.00 177.93 177.74 1xil h ILE 72 N 0.13 0.91 -0.08 6.26 2.04 -0.66 -2.31 117.51 123.81 1xil h ILE 72 Ca 0.06 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1xil h ILE 72 Cb 0.19 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1xil h ILE 72 CO -0.00 0.02 0.04 0.78 0.00 0.00 0.00 178.15 178.98 1xil h ASN 73 N -0.18 0.10 -0.46 1.72 2.35 -0.89 -2.08 115.58 116.14 1xil h ASN 73 Ca -0.01 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.51 1xil h ASN 73 Cb 0.14 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1xil h ASN 73 CO 0.02 0.20 -0.09 0.45 -1.65 0.00 0.00 177.43 176.36 1xil h HIS 74 N -0.00 0.99 -0.57 1.19 3.86 -1.36 -0.88 115.15 118.36 1xil h HIS 74 Ca 0.03 -0.20 0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1xil h HIS 74 Cb 0.12 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.29 1xil h HIS 74 CO -0.03 0.96 0.23 0.77 0.86 0.00 0.00 177.93 180.72 1xil h SER 75 N 0.73 0.25 -0.26 2.45 0.02 -1.33 -1.05 113.55 114.36 1xil h SER 75 Ca 0.12 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1xil h SER 75 Cb 0.63 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1xil h SER 75 CO 0.04 0.16 -0.03 0.40 -1.14 0.00 0.00 176.83 176.26 1xil h ILE 76 N 0.42 1.27 -0.55 3.27 2.04 -1.14 -3.26 117.51 119.57 1xil h ILE 76 Ca 0.28 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 65.22 1xil h ILE 76 Cb 0.31 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 1xil h ILE 76 CO -0.27 0.31 0.23 0.15 0.00 0.00 0.00 178.15 178.58 1xil h PHE 77 N 0.25 0.42 -0.50 1.37 3.57 -0.36 -1.18 116.94 120.52 1xil h PHE 77 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1xil h PHE 77 Cb 0.47 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1xil h PHE 77 CO 0.04 0.16 0.27 -1.49 -2.23 0.00 0.00 178.31 175.06 1xil h TRP 78 N 0.44 0.66 0.00 0.41 -0.00 -1.28 -1.64 115.95 114.54 1xil h TRP 78 Ca 0.26 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 59.14 1xil h TRP 78 Cb 0.25 -0.22 -0.00 0.00 -0.00 0.00 0.00 29.16 29.19 1xil h TRP 78 CO -0.14 0.47 -0.02 1.79 -0.00 0.00 0.00 178.44 180.55 1xil h THR 79 N 0.69 0.04 -0.00 1.49 1.35 -1.30 -2.96 112.91 112.22 1xil h THR 79 Ca 0.18 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1xil h THR 79 Cb 0.03 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1xil h THR 79 CO -0.03 0.02 -0.12 0.59 -0.25 0.00 0.00 175.52 175.73 1xil n ASN 80 N -3.11 0.21 -4.42 5.36 5.03 -0.63 -4.68 115.26 113.02 1xil n ASN 80 Ca 0.02 -0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.17 1xil n ASN 80 Cb 0.40 -0.22 -0.13 0.00 -1.02 0.00 0.00 39.78 38.81 1xil n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xil s LEU 81 N -2.80 2.44 -0.25 3.41 1.43 -1.11 0.51 118.68 122.31 1xil s LEU 81 Ca 0.19 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.48 1xil s LEU 81 Cb 0.19 -1.40 0.11 0.00 0.03 0.00 0.00 46.19 45.12 1xil s LEU 81 CO 0.54 0.23 0.94 -0.55 0.23 0.00 0.00 176.35 177.73 1xil s SER 82 N -1.60 -0.52 0.57 2.29 0.15 0.02 -4.67 113.70 109.95 1xil s SER 82 Ca 0.14 0.92 0.33 0.00 0.70 0.00 0.00 55.95 58.04 1xil s SER 82 Cb -0.10 0.91 1.76 0.00 -1.71 0.00 0.00 66.02 66.87 1xil s SER 82 CO 0.05 -0.23 2.17 1.55 1.20 0.00 0.00 173.24 177.98 1xil h PRO 83 N 4.07 0.00 -0.08 5.44 0.13 -1.85 -0.65 132.00 139.06 1xil h PRO 83 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xil h PRO 83 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xil h PRO 83 CO 0.14 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.05 1xil n ASN 84 N -3.48 1.82 -2.10 1.44 3.02 -1.26 -4.94 115.26 109.77 1xil n ASN 84 Ca -0.02 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.89 1xil n ASN 84 Cb 0.18 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1xil n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xil n GLY 85 N 1.20 -1.00 1.41 7.41 0.00 -0.25 -4.98 105.19 108.98 1xil n GLY 85 Ca 0.18 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1xil n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xil n GLY 86 N 5.00 -2.56 7.00 -0.02 0.00 0.41 -4.70 105.19 110.32 1xil n GLY 86 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1xil n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xil n GLY 87 N -0.13 1.42 3.25 -0.02 0.00 -1.26 -4.78 105.19 103.68 1xil n GLY 87 Ca 0.00 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 1xil n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xil s GLU 88 N 0.00 1.16 0.86 1.61 2.02 -1.26 -4.99 118.70 118.10 1xil s GLU 88 Ca 0.00 -1.04 -0.12 0.00 0.02 0.00 0.00 54.97 53.83 1xil s GLU 88 Cb 0.00 -1.33 0.11 0.00 0.10 0.00 0.00 34.13 33.00 1xil s GLU 88 CO 0.00 0.32 1.09 -1.25 0.02 0.00 0.00 175.26 175.44 1xil s PRO 89 N -1.62 1.55 0.36 0.39 0.04 -1.26 -5.02 135.00 129.44 1xil s PRO 89 Ca 0.06 0.75 0.04 0.00 0.04 0.00 0.00 61.00 61.89 1xil s PRO 89 Cb -0.09 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1xil s PRO 89 CO 0.03 -2.02 0.16 1.63 0.04 0.00 0.00 177.00 176.84 1xil n LYS 90 N -3.72 0.56 0.00 4.56 4.01 -1.26 -4.68 118.16 117.64 1xil n LYS 90 Ca 0.07 -3.09 0.00 0.00 -0.51 0.00 0.00 58.31 54.78 1xil n LYS 90 Cb 0.56 1.84 0.00 0.00 -0.51 0.00 0.00 35.03 36.92 1xil n LYS 90 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xil n GLY 91 N -0.52 1.52 0.27 0.72 0.00 -1.26 -3.36 105.19 102.56 1xil n GLY 91 Ca -0.03 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.47 1xil n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xil h GLU 92 N 0.00 0.34 -0.45 1.61 5.08 -1.99 -1.92 114.58 117.26 1xil h GLU 92 Ca 0.00 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1xil h GLU 92 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1xil h GLU 92 CO 0.00 0.36 -0.27 1.25 -1.00 0.00 0.00 179.01 179.35 1xil h LEU 93 N 0.34 1.01 -0.83 1.33 7.12 -1.95 0.30 115.31 122.63 1xil h LEU 93 Ca 0.08 -0.42 -0.06 0.00 0.13 0.00 0.00 57.88 57.61 1xil h LEU 93 Cb 0.21 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.03 1xil h LEU 93 CO 0.00 1.21 0.21 0.25 -0.13 0.00 0.00 178.44 179.99 1xil h LEU 94 N 0.81 1.01 -0.80 2.25 5.85 -1.45 -0.34 115.31 122.65 1xil h LEU 94 Ca 0.09 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1xil h LEU 94 Cb 0.86 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1xil h LEU 94 CO 0.08 0.94 0.48 -0.33 -0.34 0.00 0.00 178.44 179.27 1xil h GLU 95 N 1.04 1.08 -0.29 1.25 5.08 -0.87 -1.05 114.58 120.83 1xil h GLU 95 Ca 0.23 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1xil h GLU 95 Cb 0.30 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xil h GLU 95 CO -0.01 0.76 0.11 0.00 -1.00 0.00 0.00 179.01 178.87 1xil h ALA 96 N 1.26 0.38 -0.55 3.43 0.00 0.08 -2.06 119.26 121.79 1xil h ALA 96 Ca 0.29 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xil h ALA 96 Cb -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1xil h ALA 96 CO -0.05 -0.01 0.36 0.82 0.00 0.00 0.00 179.25 180.36 1xil h ILE 97 N 0.32 1.12 -0.71 0.00 2.04 -0.85 -0.52 117.51 118.91 1xil h ILE 97 Ca 0.10 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1xil h ILE 97 Cb 0.20 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1xil h ILE 97 CO -0.01 0.13 0.38 0.11 0.00 0.00 0.00 178.15 178.76 1xil h LYS 98 N 0.72 0.99 -0.31 2.37 1.57 -1.05 0.10 116.57 120.97 1xil h LYS 98 Ca 0.21 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1xil h LYS 98 Cb -0.06 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.02 1xil h LYS 98 CO -0.06 0.75 0.06 -0.09 -0.57 0.00 0.00 179.45 179.55 1xil h ARG 99 N 0.98 0.17 0.00 3.15 2.43 -1.12 0.26 114.38 120.25 1xil h ARG 99 Ca 0.25 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.25 1xil h ARG 99 Cb 0.05 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1xil h ARG 99 CO -0.04 0.11 -1.63 -0.25 -1.51 0.00 0.00 179.97 176.65 1xil n ASP 100 N -5.09 0.57 0.00 -3.80 8.00 -0.23 -4.39 116.55 111.62 1xil n ASP 100 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1xil n ASP 100 Cb 0.13 0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 1xil n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xil n PHE 101 N -2.74 0.00 0.00 1.24 3.01 0.32 -5.03 117.46 114.27 1xil n PHE 101 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1xil n PHE 101 Cb 0.82 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.29 1xil n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xil n GLY 102 N 0.44 3.06 3.73 1.37 0.00 0.91 -4.42 105.19 110.28 1xil n GLY 102 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1xil n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xil s SER 103 N 0.00 -0.11 0.20 1.61 1.04 -1.24 -4.71 113.70 110.50 1xil s SER 103 Ca 0.00 -0.34 -0.10 0.00 0.48 0.00 0.00 55.95 55.99 1xil s SER 103 Cb 0.00 0.37 0.21 0.00 0.10 0.00 0.00 66.02 66.71 1xil s SER 103 CO 0.00 -0.69 1.80 0.15 0.98 0.00 0.00 173.24 175.48 1xil h PHE 104 N 2.00 0.64 -0.19 5.02 3.57 -1.91 0.45 116.94 126.52 1xil h PHE 104 Ca -0.27 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.12 1xil h PHE 104 Cb 1.22 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1xil h PHE 104 CO 0.49 0.31 -0.47 -0.44 -2.23 0.00 0.00 178.31 175.96 1xil h ASP 105 N 0.65 0.54 -0.48 0.41 3.32 -1.96 0.14 116.42 119.04 1xil h ASP 105 Ca 0.28 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xil h ASP 105 Cb 0.17 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1xil h ASP 105 CO -0.17 0.93 0.27 0.11 -1.72 0.00 0.00 179.24 178.66 1xil h LYS 106 N 0.40 0.66 -0.55 3.56 1.57 -1.79 -1.37 116.57 119.05 1xil h LYS 106 Ca 0.02 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1xil h LYS 106 Cb 0.98 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 1xil h LYS 106 CO 0.09 0.51 0.26 0.35 -0.57 0.00 0.00 179.45 180.09 1xil h PHE 107 N 0.63 0.48 -0.61 -1.35 3.57 -0.44 -1.32 116.94 117.90 1xil h PHE 107 Ca 0.17 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1xil h PHE 107 Cb 0.03 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1xil h PHE 107 CO -0.02 0.21 0.30 0.87 -2.23 0.00 0.00 178.31 177.43 1xil h LYS 108 N 0.50 0.88 -0.49 1.11 1.57 -0.58 -0.63 116.57 118.93 1xil h LYS 108 Ca 0.25 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1xil h LYS 108 Cb 0.20 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1xil h LYS 108 CO -0.20 0.71 0.19 0.93 -0.57 0.00 0.00 179.45 180.52 1xil h GLU 109 N 0.84 0.37 -0.29 3.15 5.08 -1.03 0.45 114.58 123.16 1xil h GLU 109 Ca 0.21 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1xil h GLU 109 Cb 0.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1xil h GLU 109 CO -0.03 0.24 -0.13 0.87 -1.00 0.00 0.00 179.01 178.97 1xil h LYS 110 N 0.38 0.60 -0.17 2.33 1.57 -0.49 -1.17 116.57 119.62 1xil h LYS 110 Ca 0.23 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1xil h LYS 110 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1xil h LYS 110 CO -0.22 0.83 -0.48 1.25 -0.57 0.00 0.00 179.45 180.25 1xil h LEU 111 N 0.35 0.50 -0.17 2.94 5.85 -0.98 -1.40 115.31 122.39 1xil h LEU 111 Ca 0.07 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1xil h LEU 111 Cb 0.65 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1xil h LEU 111 CO 0.04 0.90 0.03 0.74 -0.34 0.00 0.00 178.44 179.81 1xil h THR 112 N 0.37 0.91 -0.52 1.05 2.02 -0.84 -0.76 112.91 115.14 1xil h THR 112 Ca 0.02 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1xil h THR 112 Cb 0.99 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1xil h THR 112 CO 0.09 0.02 0.34 0.00 0.37 0.00 0.00 175.52 176.34 1xil h ALA 113 N 1.13 0.65 -0.66 6.16 0.00 -1.04 0.14 119.26 125.65 1xil h ALA 113 Ca 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xil h ALA 113 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xil h ALA 113 CO -0.11 0.10 0.20 0.00 0.00 0.00 0.00 179.25 179.44 1xil h ALA 114 N 1.19 1.12 -0.18 0.00 0.00 -1.07 0.15 119.26 120.47 1xil h ALA 114 Ca 0.19 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1xil h ALA 114 Cb -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1xil h ALA 114 CO -0.04 0.60 -0.34 0.77 0.00 0.00 0.00 179.25 180.24 1xil h SER 115 N 0.97 0.60 0.75 0.00 0.02 -0.57 -3.16 113.55 112.17 1xil h SER 115 Ca 0.21 -0.55 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 1xil h SER 115 Cb 0.28 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1xil h SER 115 CO -0.01 1.04 -0.33 0.58 -1.14 0.00 0.00 176.83 176.98 1xil h VAL 116 N 0.19 0.84 0.00 2.27 2.07 -0.64 -2.93 116.25 118.05 1xil h VAL 116 Ca 0.01 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1xil h VAL 116 Cb 0.94 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1xil h VAL 116 CO 0.08 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.60 1xil n GLY 117 N 0.05 -1.31 3.66 2.17 0.00 0.03 -4.77 105.19 105.02 1xil n GLY 117 Ca -0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1xil n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xil s VAL 118 N -2.85 3.58 -0.60 1.61 1.01 -1.11 -4.93 120.40 117.12 1xil s VAL 118 Ca 0.17 0.70 -0.18 0.00 0.00 0.00 0.00 61.98 62.66 1xil s VAL 118 Cb 0.17 -3.46 0.11 0.00 0.00 0.00 0.00 36.38 33.20 1xil s VAL 118 CO 0.45 -0.07 0.69 -1.10 0.00 0.00 0.00 175.10 175.06 1xil s GLN 119 N 4.09 3.05 0.00 2.72 -0.21 -1.26 -4.80 119.66 123.26 1xil s GLN 119 Ca 0.74 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1xil s GLN 119 Cb -0.33 -4.28 0.00 0.00 1.00 0.00 0.00 33.01 29.40 1xil s GLN 119 CO 0.30 -1.52 0.00 0.41 -2.12 0.00 0.00 175.29 172.36 1xil n GLY 120 N 5.26 0.09 3.87 3.09 0.00 -1.26 -5.04 105.19 111.21 1xil n GLY 120 Ca -0.09 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 1xil n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xil s SER 121 N -4.00 6.63 0.00 1.61 0.01 -1.26 -4.85 113.70 111.84 1xil s SER 121 Ca 0.00 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1xil s SER 121 Cb 0.00 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1xil s SER 121 CO 0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1xil n GLY 122 N 0.11 -0.56 2.94 3.44 0.00 -1.25 -0.77 105.19 109.09 1xil n GLY 122 Ca -0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1xil n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xil s TRP 123 N -3.00 0.23 0.00 1.61 0.52 0.04 -0.55 118.94 117.79 1xil s TRP 123 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 56.10 55.91 1xil s TRP 123 Cb 0.00 -0.15 -0.04 0.00 -1.15 0.00 0.00 33.47 32.13 1xil s TRP 123 CO 0.00 -0.06 0.11 0.20 0.02 0.00 0.00 176.95 177.22 1xil s GLY 124 N -0.56 2.06 -0.01 0.98 0.00 -0.19 -0.89 107.32 108.72 1xil s GLY 124 Ca -0.05 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.84 1xil s GLY 124 CO -0.00 -0.74 -0.06 -0.98 0.00 0.00 0.00 173.10 171.31 1xil s TRP 125 N -1.25 0.61 -0.24 1.90 0.52 0.89 -0.41 118.94 120.96 1xil s TRP 125 Ca 0.25 -0.12 -0.19 0.00 0.02 0.00 0.00 56.10 56.06 1xil s TRP 125 Cb -0.12 -0.42 -0.03 0.00 -1.15 0.00 0.00 33.47 31.75 1xil s TRP 125 CO 0.16 -0.03 0.54 -1.17 0.02 0.00 0.00 176.95 176.47 1xil s LEU 126 N -0.01 4.08 0.42 2.99 2.96 0.80 -1.72 118.68 128.20 1xil s LEU 126 Ca 0.01 0.60 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 1xil s LEU 126 Cb -0.04 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.88 1xil s LEU 126 CO -0.00 -0.27 0.04 -0.83 -1.32 0.00 0.00 176.35 173.96 1xil s GLY 127 N 1.42 2.56 -0.16 7.98 0.00 0.66 -0.88 107.32 118.90 1xil s GLY 127 Ca 0.23 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.40 1xil s GLY 127 CO 0.09 -2.01 -0.10 -0.12 0.00 0.00 0.00 173.10 170.96 1xil s PHE 128 N -2.99 2.88 -0.45 1.90 5.36 0.11 -1.20 117.98 123.59 1xil s PHE 128 Ca 0.25 -0.67 -0.18 0.00 -0.96 0.00 0.00 56.93 55.38 1xil s PHE 128 Cb 0.06 -1.92 0.04 0.00 -0.34 0.00 0.00 43.02 40.86 1xil s PHE 128 CO 0.13 -0.27 0.49 1.21 -1.46 0.00 0.00 175.22 175.32 1xil s ASN 129 N 0.62 6.20 0.22 6.13 3.84 0.54 -1.42 114.94 131.08 1xil s ASN 129 Ca -0.06 -0.83 -0.08 0.00 0.21 0.00 0.00 52.86 52.11 1xil s ASN 129 Cb -0.15 -2.24 0.20 0.00 -0.55 0.00 0.00 41.25 38.51 1xil s ASN 129 CO 0.03 -0.68 1.88 0.11 -2.79 0.00 0.00 177.10 175.65 1xil h LYS 130 N 8.81 1.16 0.00 0.43 1.57 -1.86 0.53 116.57 127.21 1xil h LYS 130 Ca -0.27 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.25 1xil h LYS 130 Cb 1.11 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1xil h LYS 130 CO 0.85 0.80 -0.87 1.05 -0.57 0.00 0.00 179.45 180.72 1xil h GLU 131 N 1.18 0.00 0.00 3.15 4.11 -1.96 -3.13 114.58 117.93 1xil h GLU 131 Ca 0.31 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.69 1xil h GLU 131 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1xil h GLU 131 CO -0.06 0.64 -1.08 0.00 0.07 0.00 0.00 179.01 178.59 1xil h ARG 132 N 0.00 0.00 -2.51 1.06 2.47 -1.94 -3.48 114.38 109.97 1xil h ARG 132 Ca -0.05 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.51 1xil h ARG 132 Cb 1.58 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.94 1xil h ARG 132 CO 0.09 0.09 -0.26 0.41 0.56 0.00 0.00 179.97 180.86 1xil n GLY 133 N 1.24 0.25 3.60 0.04 0.00 0.18 -5.03 105.19 105.47 1xil n GLY 133 Ca -0.03 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 1xil n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xil s HIS 134 N -2.94 0.31 0.66 1.61 -3.43 -1.06 -4.98 115.29 105.46 1xil s HIS 134 Ca 0.18 -0.68 -0.13 0.00 -0.80 0.00 0.00 55.06 53.63 1xil s HIS 134 Cb -0.08 0.23 -0.01 0.00 -1.43 0.00 0.00 32.58 31.30 1xil s HIS 134 CO 0.22 -1.01 1.07 -0.51 -2.00 0.00 0.00 174.74 172.51 1xil s LEU 135 N -3.01 3.30 -0.22 5.38 1.43 -1.26 -0.34 118.68 123.96 1xil s LEU 135 Ca 0.21 1.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.94 1xil s LEU 135 Cb -0.01 -4.52 0.07 0.00 0.03 0.00 0.00 46.19 41.76 1xil s LEU 135 CO 0.08 -1.40 0.53 -1.58 0.23 0.00 0.00 176.35 174.22 1xil s GLN 136 N -4.54 0.53 -0.06 1.70 0.74 -0.34 -4.79 119.66 112.90 1xil s GLN 136 Ca 0.61 0.98 -0.13 0.00 0.05 0.00 0.00 55.36 56.87 1xil s GLN 136 Cb -0.16 0.05 -0.05 0.00 1.10 0.00 0.00 33.01 33.96 1xil s GLN 136 CO 0.46 -0.15 0.33 0.42 -0.55 0.00 0.00 175.29 175.80 1xil s ILE 137 N 1.48 5.20 0.03 -2.34 1.01 -1.26 -0.25 121.20 125.07 1xil s ILE 137 Ca -0.10 0.65 -0.07 0.00 0.00 0.00 0.00 60.65 61.13 1xil s ILE 137 Cb -0.07 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 1xil s ILE 137 CO -0.16 0.54 0.15 0.00 0.00 0.00 0.00 174.94 175.46 1xil s ALA 138 N -0.66 -0.23 0.01 9.38 0.00 -0.70 -4.99 121.76 124.58 1xil s ALA 138 Ca 0.21 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.85 1xil s ALA 138 Cb -0.15 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1xil s ALA 138 CO 0.09 -0.32 -0.16 0.00 0.00 0.00 0.00 175.76 175.37 1xil s ALA 139 N -2.41 2.66 -0.02 0.00 0.00 -1.26 -0.08 121.76 120.64 1xil s ALA 139 Ca -0.06 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1xil s ALA 139 Cb -0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1xil s ALA 139 CO -0.03 0.57 -0.17 0.00 0.00 0.00 0.00 175.76 176.13 1xil s PRO 141 N -0.25 4.26 5.56 0.00 0.04 -1.26 -0.78 135.00 142.58 1xil s PRO 141 Ca 0.03 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1xil s PRO 141 Cb -0.08 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1xil s PRO 141 CO 0.00 0.12 0.00 0.09 0.04 0.00 0.00 177.00 177.25 1xil n ASN 142 N -0.18 0.00 -0.84 6.66 3.02 0.05 -0.98 115.26 122.99 1xil n ASN 142 Ca 0.04 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.66 1xil n ASN 142 Cb 0.53 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.92 1xil n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xil n GLN 143 N 14.00 2.99 -1.65 3.52 1.13 -1.26 -3.97 117.38 132.14 1xil n GLN 143 Ca 0.00 -2.47 -0.47 0.00 -1.94 0.00 0.00 57.00 52.12 1xil n GLN 143 Cb 0.00 -1.58 -0.05 0.00 0.11 0.00 0.00 30.24 28.73 1xil n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xil n ASP 144 N 0.13 3.40 -4.82 1.08 10.43 -0.15 -3.94 116.55 122.68 1xil n ASP 144 Ca 0.17 0.83 -0.33 0.00 2.57 0.00 0.00 54.79 58.03 1xil n ASP 144 Cb 0.67 -1.40 -0.07 0.00 1.84 0.00 0.00 41.12 42.17 1xil n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1xil s PRO 145 N 4.58 4.20 0.07 -0.24 0.04 -1.26 -4.65 135.00 137.74 1xil s PRO 145 Ca 0.95 1.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.73 1xil s PRO 145 Cb -0.64 -2.32 -0.16 0.00 0.04 0.00 0.00 34.50 31.41 1xil s PRO 145 CO 0.49 0.06 1.65 1.25 0.04 0.00 0.00 177.00 180.49 1xil h LEU 146 N 2.16 -0.22 -0.22 -3.56 5.85 -1.90 -2.22 115.31 115.20 1xil h LEU 146 Ca -0.48 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.12 1xil h LEU 146 Cb 1.18 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1xil h LEU 146 CO 0.63 -0.11 -0.18 -0.61 -0.34 0.00 0.00 178.44 177.82 1xil h GLN 147 N -0.31 0.52 -0.24 1.25 4.15 -1.89 0.19 115.11 118.78 1xil h GLN 147 Ca -0.03 -0.26 0.04 0.00 0.77 0.00 0.00 58.65 59.18 1xil h GLN 147 Cb 0.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1xil h GLN 147 CO 0.04 0.83 0.16 0.78 -1.93 0.00 0.00 178.83 178.72 1xil h GLY 148 N 0.21 0.14 0.00 2.39 0.00 -1.86 0.49 103.07 104.43 1xil h GLY 148 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1xil h GLY 148 CO 0.05 0.04 -1.15 -1.30 0.00 0.00 0.00 176.54 174.18 1xil n THR 149 N -4.49 0.00 0.00 4.70 -2.24 -0.84 -4.74 114.28 106.68 1xil n THR 149 Ca 0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1xil n THR 149 Cb 0.23 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1xil n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xil n THR 150 N -1.65 0.00 0.00 4.28 -2.24 0.64 -5.02 114.28 110.29 1xil n THR 150 Ca -0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1xil n THR 150 Cb 0.21 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1xil n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xil n GLY 151 N 1.97 2.75 3.77 3.38 0.00 0.16 -5.01 105.19 112.21 1xil n GLY 151 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1xil n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xil s LEU 152 N 0.00 4.21 -0.17 0.99 1.43 -1.26 -4.78 118.68 119.10 1xil s LEU 152 Ca 0.00 2.44 -0.25 0.00 -1.03 0.00 0.00 54.13 55.28 1xil s LEU 152 Cb 0.00 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 1xil s LEU 152 CO 0.00 -0.71 0.84 -0.63 0.23 0.00 0.00 176.35 176.07 1xil s ILE 153 N -1.36 4.87 0.16 -0.59 -1.09 -0.50 -3.14 121.20 119.56 1xil s ILE 153 Ca 0.57 1.64 -0.30 0.00 -2.23 0.00 0.00 60.65 60.32 1xil s ILE 153 Cb -0.33 -4.14 -0.08 0.00 -1.58 0.00 0.00 42.46 36.33 1xil s ILE 153 CO 0.42 0.02 1.27 -2.16 -1.23 0.00 0.00 174.94 173.26 1xil s PRO 154 N 2.19 4.42 -0.09 2.79 0.04 -1.26 0.08 135.00 143.17 1xil s PRO 154 Ca 0.38 1.96 -0.02 0.00 0.04 0.00 0.00 61.00 63.36 1xil s PRO 154 Cb -0.16 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1xil s PRO 154 CO 0.12 -0.23 -0.10 1.28 0.04 0.00 0.00 177.00 178.11 1xil n LEU 155 N 2.97 1.85 -3.70 -3.56 4.77 -0.05 -4.90 117.00 114.37 1xil n LEU 155 Ca 0.07 0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 1xil n LEU 155 Cb 0.44 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 1xil n LEU 155 CO 0.57 0.43 -0.16 -0.22 -1.33 0.00 0.00 177.39 176.67 1xil s LEU 156 N -6.00 0.10 -0.05 2.23 2.96 -0.91 -4.55 118.68 112.46 1xil s LEU 156 Ca -0.12 0.49 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 1xil s LEU 156 Cb 0.04 0.59 -0.03 0.00 0.50 0.00 0.00 46.19 47.29 1xil s LEU 156 CO 0.18 -0.20 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.04 1xil s GLY 157 N 1.86 1.53 -0.26 7.98 0.00 -1.26 -0.14 107.32 117.03 1xil s GLY 157 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1xil s GLY 157 CO -0.08 -0.77 -0.08 -0.42 0.00 0.00 0.00 173.10 171.75 1xil s ILE 158 N -0.74 2.53 -0.08 0.90 1.01 0.46 -4.89 121.20 120.39 1xil s ILE 158 Ca 0.12 -1.37 -0.30 0.00 0.00 0.00 0.00 60.65 59.10 1xil s ILE 158 Cb -0.11 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1xil s ILE 158 CO 0.01 0.06 1.51 -0.62 0.00 0.00 0.00 174.94 175.89 1xil s ASP 159 N 1.21 6.77 -0.20 3.58 3.68 -1.26 -1.02 116.67 129.42 1xil s ASP 159 Ca -0.05 2.06 0.12 0.00 2.13 0.00 0.00 52.55 56.81 1xil s ASP 159 Cb -0.18 -2.54 0.43 0.00 -1.45 0.00 0.00 42.92 39.17 1xil s ASP 159 CO -0.05 -0.85 1.21 1.33 0.13 0.00 0.00 175.17 176.95 1xil n VAL 160 N 5.33 2.09 -2.00 1.11 0.24 0.28 -4.86 118.33 120.52 1xil n VAL 160 Ca 0.16 -3.19 -0.38 0.00 -2.04 0.00 0.00 64.34 58.88 1xil n VAL 160 Cb 0.43 -0.23 0.02 0.00 -1.47 0.00 0.00 33.84 32.59 1xil n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1xil s TRP 161 N -3.06 2.58 0.43 6.34 0.52 -1.15 -4.19 118.94 120.40 1xil s TRP 161 Ca 0.39 1.44 0.09 0.00 0.02 0.00 0.00 56.10 58.04 1xil s TRP 161 Cb 0.37 -3.62 0.92 0.00 -1.15 0.00 0.00 33.47 30.00 1xil s TRP 161 CO -0.07 -2.26 2.06 0.93 0.02 0.00 0.00 176.95 177.64 1xil h GLU 162 N 1.82 0.42 0.00 4.98 5.08 -1.94 -1.16 114.58 123.79 1xil h GLU 162 Ca -0.50 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1xil h GLU 162 Cb 1.27 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1xil h GLU 162 CO 0.59 0.30 -0.00 1.12 -1.00 0.00 0.00 179.01 180.02 1xil h HIS 163 N 0.43 0.00 0.00 4.33 2.07 -1.99 -3.43 115.15 116.57 1xil h HIS 163 Ca 0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 1xil h HIS 163 Cb -0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.97 1xil h HIS 163 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1xil n ALA 164 N -2.10 2.05 0.00 6.11 0.00 -0.44 -4.93 120.51 121.20 1xil n ALA 164 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xil n ALA 164 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1xil n ALA 164 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xil n LEU 167 N 0.70 0.00 -0.87 0.00 4.77 -1.26 -5.03 117.00 115.31 1xil n LEU 167 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1xil n LEU 167 Cb 0.27 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1xil n LEU 167 CO 0.00 0.00 0.59 1.67 -1.33 0.00 0.00 177.39 178.32 1xil n GLN 168 N -1.20 2.03 0.00 3.23 7.27 -1.26 -5.12 117.38 122.33 1xil n GLN 168 Ca 0.00 -1.78 0.00 0.00 0.07 0.00 0.00 57.00 55.29 1xil n GLN 168 Cb 0.00 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.23 1xil n GLN 168 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1xil n LYS 170 N 1.19 0.00 0.00 3.69 5.02 -1.26 -5.10 118.16 121.70 1xil n LYS 170 Ca 0.13 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 1xil n LYS 170 Cb 0.55 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 36.26 1xil n LYS 170 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xil n ASN 171 N 0.00 0.00 -4.34 4.39 6.94 -1.26 -4.56 115.26 116.43 1xil n ASN 171 Ca 0.00 -0.29 -0.44 0.00 -0.02 0.00 0.00 54.58 53.83 1xil n ASN 171 Cb 0.00 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 1xil n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1xil n VAL 172 N -1.21 4.47 -0.26 3.53 0.31 -1.26 -4.84 118.33 119.07 1xil n VAL 172 Ca 0.15 -5.06 0.02 0.00 -0.01 0.00 0.00 64.34 59.43 1xil n VAL 172 Cb 0.18 -2.48 0.15 0.00 -0.91 0.00 0.00 33.84 30.77 1xil n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1xil h ARG 173 N 6.71 0.64 -0.10 5.55 2.43 -2.01 -2.38 114.38 125.22 1xil h ARG 173 Ca 0.26 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1xil h ARG 173 Cb 0.84 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1xil h ARG 173 CO 1.18 0.42 0.08 -1.35 -1.51 0.00 0.00 179.97 178.80 1xil h PRO 174 N 0.66 0.00 -1.42 0.20 0.11 -1.98 -1.30 132.00 128.27 1xil h PRO 174 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1xil h PRO 174 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1xil h PRO 174 CO -0.26 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.28 1xil n ASP 175 N -4.24 1.10 0.00 -2.05 8.00 -0.90 -1.68 116.55 116.78 1xil n ASP 175 Ca -0.01 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1xil n ASP 175 Cb 0.20 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1xil n ASP 175 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xil n LEU 177 N 0.72 0.00 -0.23 0.64 7.99 -0.49 -1.55 117.00 124.08 1xil n LEU 177 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.92 1xil n LEU 177 Cb 0.19 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.53 1xil n LEU 177 CO 0.00 0.00 0.96 0.50 -1.51 0.00 0.00 177.39 177.34 1xil h LYS 178 N 0.00 1.00 -0.10 3.23 3.64 -1.58 -3.01 116.57 119.74 1xil h LYS 178 Ca 0.00 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.04 1xil h LYS 178 Cb 0.00 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1xil h LYS 178 CO 0.00 0.88 -0.47 0.00 -2.27 0.00 0.00 179.45 177.58 1xil h ALA 179 N 1.08 1.01 0.00 5.00 0.00 -1.56 -3.23 119.26 121.55 1xil h ALA 179 Ca 0.21 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1xil h ALA 179 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xil h ALA 179 CO -0.01 0.64 -0.10 0.97 0.00 0.00 0.00 179.25 180.75 1xil h ILE 180 N 0.21 0.31 0.00 0.00 2.10 -1.80 -2.07 117.51 116.26 1xil h ILE 180 Ca 0.01 -0.70 -0.00 0.00 1.08 0.00 0.00 64.86 65.25 1xil h ILE 180 Cb 0.92 1.54 -0.00 0.00 -1.09 0.00 0.00 36.82 38.18 1xil h ILE 180 CO 0.07 0.10 -0.00 -0.50 -1.08 0.00 0.00 178.15 176.74 1xil h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.64 -1.39 115.95 119.17 1xil h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1xil h TRP 181 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1xil h TRP 181 CO 0.00 0.00 0.00 -0.91 -3.56 0.00 0.00 178.44 173.97 1xil h ASN 182 N 0.00 0.00 0.00 -3.49 2.35 -1.59 -3.21 115.58 109.65 1xil h ASN 182 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xil h ASN 182 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1xil h ASN 182 CO 0.00 0.00 -0.00 1.33 -1.65 0.00 0.00 177.43 177.11 1xil n VAL 183 N -2.52 1.11 -2.06 2.81 0.24 -0.53 -2.77 118.33 114.60 1xil n VAL 183 Ca 0.02 -1.16 -0.42 0.00 -2.04 0.00 0.00 64.34 60.74 1xil n VAL 183 Cb 0.28 0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 33.02 1xil n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xil s ILE 184 N -1.24 2.94 -1.11 1.34 -1.09 -1.15 -0.80 121.20 120.09 1xil s ILE 184 Ca 0.04 0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 58.99 1xil s ILE 184 Cb 0.04 -3.44 0.14 0.00 -1.58 0.00 0.00 42.46 37.61 1xil s ILE 184 CO 0.00 0.07 1.36 0.21 -1.23 0.00 0.00 174.94 175.35 1xil s ASN 185 N 0.95 6.85 0.54 3.58 3.84 0.18 -0.44 114.94 130.43 1xil s ASN 185 Ca 0.65 -2.48 0.30 0.00 0.21 0.00 0.00 52.86 51.54 1xil s ASN 185 Cb -0.40 -2.43 1.53 0.00 -0.55 0.00 0.00 41.25 39.40 1xil s ASN 185 CO 0.33 -0.96 2.09 -0.50 -2.79 0.00 0.00 177.10 175.26 1xil h TRP 186 N 7.99 0.00 -0.50 0.43 4.06 -1.86 -0.48 115.95 125.59 1xil h TRP 186 Ca 0.27 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.23 1xil h TRP 186 Cb 0.94 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.07 1xil h TRP 186 CO 1.18 0.09 0.32 1.49 -3.56 0.00 0.00 178.44 177.96 1xil h GLU 187 N 0.00 0.64 -0.39 0.49 4.81 -1.96 0.32 114.58 118.49 1xil h GLU 187 Ca -0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1xil h GLU 187 Cb 0.33 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1xil h GLU 187 CO 0.01 0.42 -0.15 -0.97 -0.73 0.00 0.00 179.01 177.60 1xil h ASN 188 N 0.66 0.81 -0.77 1.04 -0.73 -1.38 -1.77 115.58 113.44 1xil h ASN 188 Ca 0.19 -0.39 -0.04 0.00 1.87 0.00 0.00 56.30 57.93 1xil h ASN 188 Cb -0.05 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.28 1xil h ASN 188 CO -0.05 1.01 0.33 0.58 -0.37 0.00 0.00 177.43 178.93 1xil h VAL 189 N 0.60 1.25 -0.77 2.57 2.07 -1.20 -1.05 116.25 119.72 1xil h VAL 189 Ca 0.09 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1xil h VAL 189 Cb 0.69 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1xil h VAL 189 CO 0.05 0.32 0.35 0.74 0.02 0.00 0.00 177.57 179.04 1xil h THR 190 N 1.10 1.25 -0.64 2.57 2.02 -0.78 -2.57 112.91 115.86 1xil h THR 190 Ca 0.26 -0.74 0.03 0.00 0.77 0.00 0.00 66.41 66.73 1xil h THR 190 Cb 0.19 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1xil h THR 190 CO -0.02 0.31 0.39 -0.33 0.37 0.00 0.00 175.52 176.23 1xil h GLU 191 N 1.10 0.74 -0.08 6.66 5.08 -0.61 0.25 114.58 127.73 1xil h GLU 191 Ca 0.26 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xil h GLU 191 Cb 0.16 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xil h GLU 191 CO -0.03 0.49 0.00 0.54 -1.00 0.00 0.00 179.01 179.01 1xil n ARG 192 N -4.72 0.09 0.00 2.33 1.74 -0.46 -1.43 116.66 114.21 1xil n ARG 192 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1xil n ARG 192 Cb 0.09 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1xil n ARG 192 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1xil n MET 194 N 0.29 0.00 0.23 5.56 2.81 0.88 -3.13 117.12 123.77 1xil n MET 194 Ca 0.00 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.05 1xil n MET 194 Cb 0.02 0.00 0.66 0.00 -0.71 0.00 0.00 33.22 33.19 1xil n MET 194 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xil h ALA 195 N 0.00 1.00 0.00 3.04 0.00 -1.47 -2.97 119.26 118.86 1xil h ALA 195 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xil h ALA 195 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xil h ALA 195 CO 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 179.25 178.59 1xil n LYS 197 N -2.59 0.00 -0.15 0.00 4.76 -1.12 -5.06 118.16 114.01 1xil n LYS 197 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1xil n LYS 197 Cb 0.51 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1xil n LYS 197 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66