#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xre s PHE 4 N 0.00 2.51 0.04 0.66 0.40 -1.26 -5.03 117.98 115.30 1xre s PHE 4 Ca 0.00 1.35 0.07 0.00 -0.60 0.00 0.00 56.93 57.75 1xre s PHE 4 Cb 0.00 -3.79 -0.02 0.00 0.51 0.00 0.00 43.02 39.72 1xre s PHE 4 CO 0.00 -2.64 -0.19 -0.65 0.70 0.00 0.00 175.22 172.45 1xre s GLN 5 N -2.58 1.24 -0.13 0.44 -0.21 -1.26 -4.94 119.66 112.22 1xre s GLN 5 Ca 0.64 -0.88 -0.29 0.00 0.02 0.00 0.00 55.36 54.84 1xre s GLN 5 Cb -0.40 -1.33 -0.04 0.00 1.00 0.00 0.00 33.01 32.24 1xre s GLN 5 CO 0.50 0.34 1.56 -1.17 -2.12 0.00 0.00 175.29 174.40 1xre s LEU 6 N -1.17 4.16 0.45 2.90 2.96 -1.26 -4.99 118.68 121.73 1xre s LEU 6 Ca 0.06 1.93 -0.23 0.00 -0.22 0.00 0.00 54.13 55.66 1xre s LEU 6 Cb -0.08 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 1xre s LEU 6 CO 0.02 -0.99 1.18 -2.16 -1.32 0.00 0.00 176.35 173.07 1xre s PRO 7 N 4.12 3.80 0.37 0.98 0.04 -1.26 -4.99 135.00 138.07 1xre s PRO 7 Ca 0.69 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 63.27 1xre s PRO 7 Cb -0.28 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 1xre s PRO 7 CO 0.26 -0.52 1.23 0.15 0.04 0.00 0.00 177.00 178.16 1xre s LYS 8 N -2.61 4.16 0.63 4.56 1.02 -1.26 -5.02 119.74 121.22 1xre s LYS 8 Ca 0.62 2.00 -0.16 0.00 0.02 0.00 0.00 55.97 58.45 1xre s LYS 8 Cb -0.30 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 1xre s LYS 8 CO 0.36 -0.28 1.12 -0.51 -0.92 0.00 0.00 175.35 175.13 1xre s LEU 9 N -2.21 3.48 0.00 3.17 1.43 -1.26 -4.94 118.68 118.35 1xre s LEU 9 Ca 0.54 2.08 0.30 0.00 -1.03 0.00 0.00 54.13 56.02 1xre s LEU 9 Cb -0.35 -4.56 1.75 0.00 0.03 0.00 0.00 46.19 43.06 1xre s LEU 9 CO 0.45 -1.58 2.11 -1.20 0.23 0.00 0.00 176.35 176.35 1xre n SER 10 N -2.15 0.00 -3.93 2.29 7.64 -1.26 -4.88 113.62 111.33 1xre n SER 10 Ca 0.11 -0.83 -0.09 0.00 1.01 0.00 0.00 58.87 59.07 1xre n SER 10 Cb 0.52 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 1xre n SER 10 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1xre s TYR 11 N -2.08 0.27 0.65 1.43 -0.85 -1.26 -5.04 117.35 110.48 1xre s TYR 11 Ca 0.43 -0.62 -0.10 0.00 -0.52 0.00 0.00 57.07 56.26 1xre s TYR 11 Cb 0.20 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.70 1xre s TYR 11 CO 0.36 -0.89 1.03 -0.51 -1.52 0.00 0.00 175.55 174.01 1xre s ASP 12 N -2.97 5.66 0.61 -0.18 1.11 -1.26 -4.96 116.67 114.68 1xre s ASP 12 Ca 0.18 1.08 0.39 0.00 0.18 0.00 0.00 52.55 54.38 1xre s ASP 12 Cb 0.00 -1.99 1.95 0.00 1.07 0.00 0.00 42.92 43.95 1xre s ASP 12 CO 0.04 -1.16 2.19 1.88 1.18 0.00 0.00 175.17 179.30 1xre h TYR 13 N -0.45 0.00 -0.28 4.23 0.05 -1.96 -0.50 116.97 118.06 1xre h TYR 13 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1xre h TYR 13 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1xre h TYR 13 CO 0.53 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 177.24 1xre n ASP 14 N -3.05 2.77 -0.58 3.88 5.75 -1.26 -4.12 116.55 119.93 1xre n ASP 14 Ca -0.01 -1.89 0.13 0.00 -0.01 0.00 0.00 54.79 53.00 1xre n ASP 14 Cb 0.17 -0.18 0.42 0.00 -1.03 0.00 0.00 41.12 40.50 1xre n ASP 14 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1xre n GLU 15 N 1.05 1.78 -0.28 0.11 1.02 -0.20 -2.95 120.64 121.18 1xre n GLU 15 Ca 0.18 -1.15 0.10 0.00 -0.02 0.00 0.00 57.16 56.27 1xre n GLU 15 Cb 0.50 -1.45 0.25 0.00 -0.02 0.00 0.00 31.44 30.73 1xre n GLU 15 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xre n LEU 16 N 0.38 3.56 -4.77 -4.62 4.77 -1.26 -4.21 117.00 110.86 1xre n LEU 16 Ca 0.18 -1.86 -0.40 0.00 -0.03 0.00 0.00 56.01 53.90 1xre n LEU 16 Cb 0.38 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1xre n LEU 16 CO 0.15 0.86 1.03 -1.61 -1.33 0.00 0.00 177.39 176.49 1xre s GLU 17 N -1.09 3.76 -0.10 3.23 0.41 -1.15 -0.87 118.70 122.89 1xre s GLU 17 Ca 0.40 2.32 0.17 0.00 -0.41 0.00 0.00 54.97 57.44 1xre s GLU 17 Cb 0.21 -2.67 0.66 0.00 -1.78 0.00 0.00 34.13 30.55 1xre s GLU 17 CO 0.28 -0.72 1.56 -0.35 -0.49 0.00 0.00 175.26 175.54 1xre n PRO 18 N -0.12 3.50 0.07 0.39 -0.04 -1.26 -4.89 135.00 132.64 1xre n PRO 18 Ca 0.05 -2.61 -0.21 0.00 -0.04 0.00 0.00 63.50 60.69 1xre n PRO 18 Cb 0.43 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 31.91 1xre n PRO 18 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1xre h TYR 19 N 3.76 0.81 -3.27 0.54 -1.99 -1.36 -3.42 116.97 112.04 1xre h TYR 19 Ca 0.00 -0.52 -0.58 0.00 2.00 0.00 0.00 58.73 59.63 1xre h TYR 19 Cb 1.35 -0.06 -0.35 0.00 2.00 0.00 0.00 36.73 39.67 1xre h TYR 19 CO 0.71 1.38 -0.83 0.42 -0.00 0.00 0.00 178.16 179.83 1xre s ILE 20 N -2.86 1.44 0.57 -2.88 1.01 -0.70 -4.83 121.20 112.95 1xre s ILE 20 Ca -0.11 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.74 1xre s ILE 20 Cb 0.04 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1xre s ILE 20 CO 0.89 0.43 1.16 1.51 0.00 0.00 0.00 174.94 178.93 1xre s ASP 21 N 1.01 5.49 0.22 3.58 -4.77 -1.26 -2.91 116.67 118.03 1xre s ASP 21 Ca -0.06 2.26 -0.08 0.00 -3.30 0.00 0.00 52.55 51.37 1xre s ASP 21 Cb -0.15 -2.59 0.19 0.00 -1.09 0.00 0.00 42.92 39.28 1xre s ASP 21 CO -0.02 -1.38 1.85 0.28 0.70 0.00 0.00 175.17 176.60 1xre h SER 22 N 1.05 1.05 -0.41 2.11 0.02 -1.91 -1.77 113.55 113.70 1xre h SER 22 Ca -0.50 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.32 1xre h SER 22 Cb 1.28 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1xre h SER 22 CO 0.56 0.85 0.13 -1.13 -1.14 0.00 0.00 176.83 176.09 1xre h ASN 23 N 1.18 0.60 -0.22 3.07 -1.24 -1.94 -2.07 115.58 114.96 1xre h ASN 23 Ca 0.30 -0.21 0.01 0.00 0.71 0.00 0.00 56.30 57.11 1xre h ASN 23 Cb 0.02 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 1xre h ASN 23 CO -0.05 0.64 0.13 0.74 -1.29 0.00 0.00 177.43 177.60 1xre h THR 24 N 0.52 1.04 -0.84 -3.57 2.02 -1.87 -0.86 112.91 109.34 1xre h THR 24 Ca 0.13 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1xre h THR 24 Cb 0.26 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1xre h THR 24 CO -0.00 0.05 0.45 0.25 0.37 0.00 0.00 175.52 176.64 1xre h LEU 25 N 0.27 1.06 -0.52 2.58 5.85 -1.18 0.31 115.31 123.69 1xre h LEU 25 Ca 0.08 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1xre h LEU 25 Cb -0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1xre h LEU 25 CO -0.03 0.86 0.00 0.77 -0.34 0.00 0.00 178.44 179.70 1xre h SER 26 N 1.18 0.89 -0.08 1.25 4.64 -1.02 -1.10 113.55 119.31 1xre h SER 26 Ca 0.30 -0.31 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1xre h SER 26 Cb 0.04 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1xre h SER 26 CO -0.05 0.98 -0.36 0.40 -0.87 0.00 0.00 176.83 176.93 1xre h ILE 27 N 0.78 1.41 -0.64 0.95 2.04 -0.75 -0.26 117.51 121.03 1xre h ILE 27 Ca 0.15 -1.74 0.03 0.00 1.00 0.00 0.00 64.86 64.30 1xre h ILE 27 Cb 0.52 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 1xre h ILE 27 CO 0.03 0.51 0.39 -0.74 0.00 0.00 0.00 178.15 178.33 1xre h HIS 28 N -0.07 0.73 0.02 1.37 2.76 -0.35 0.18 115.15 119.79 1xre h HIS 28 Ca -0.02 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1xre h HIS 28 Cb 1.01 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1xre h HIS 28 CO 0.12 0.40 -0.01 1.25 -1.30 0.00 0.00 177.93 178.40 1xre h HIS 29 N 0.76 -0.02 0.00 5.26 -0.00 -1.30 -1.99 115.15 117.85 1xre h HIS 29 Ca 0.26 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1xre h HIS 29 Cb 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1xre h HIS 29 CO -0.05 0.60 -0.32 0.41 -0.00 0.00 0.00 177.93 178.56 1xre n GLY 30 N 1.51 -1.49 0.76 5.26 0.00 -0.11 -2.62 105.19 108.50 1xre n GLY 30 Ca -0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 1xre n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xre n LYS 31 N -1.96 0.16 0.16 1.61 4.76 0.54 -4.55 118.16 118.88 1xre n LYS 31 Ca 0.05 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.42 1xre n LYS 31 Cb 0.40 -0.78 -0.08 0.00 -1.84 0.00 0.00 35.03 32.73 1xre n LYS 31 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xre h HIS 32 N -0.29 -0.38 -0.36 2.13 3.86 -1.26 -1.29 115.15 117.56 1xre h HIS 32 Ca -0.08 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.04 1xre h HIS 32 Cb 0.62 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 1xre h HIS 32 CO -0.09 -0.05 -0.11 1.25 0.86 0.00 0.00 177.93 179.79 1xre h HIS 33 N -0.74 0.81 -1.00 2.45 -0.00 -1.37 -2.32 115.15 112.98 1xre h HIS 33 Ca -0.04 -0.18 0.12 0.00 -0.00 0.00 0.00 60.37 60.27 1xre h HIS 33 Cb 0.50 -0.19 -0.08 0.00 -0.00 0.00 0.00 27.41 27.63 1xre h HIS 33 CO 0.02 0.88 0.63 0.00 -0.00 0.00 0.00 177.93 179.46 1xre h ALA 34 N 0.81 1.54 -0.49 5.26 0.00 -1.52 -2.00 119.26 122.86 1xre h ALA 34 Ca 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1xre h ALA 34 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xre h ALA 34 CO 0.04 0.21 -0.02 1.15 0.00 0.00 0.00 179.25 180.64 1xre h THR 35 N 0.98 1.26 -0.55 0.00 2.02 -0.76 -1.48 112.91 114.39 1xre h THR 35 Ca 0.50 -1.10 0.03 0.00 0.77 0.00 0.00 66.41 66.61 1xre h THR 35 Cb 0.51 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1xre h THR 35 CO -0.27 0.38 0.33 1.88 0.37 0.00 0.00 175.52 178.22 1xre h TYR 36 N 0.73 0.61 -0.33 3.16 0.99 -0.96 -0.73 116.97 120.45 1xre h TYR 36 Ca 0.14 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 1xre h TYR 36 Cb 0.53 -0.20 -0.02 0.00 1.00 0.00 0.00 36.73 38.05 1xre h TYR 36 CO 0.04 0.34 0.18 0.28 -0.00 0.00 0.00 178.16 179.00 1xre h VAL 37 N 0.65 1.13 -0.47 -2.88 2.07 -1.17 -0.93 116.25 114.65 1xre h VAL 37 Ca 0.23 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1xre h VAL 37 Cb 0.04 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1xre h VAL 37 CO -0.11 0.14 0.05 0.78 0.02 0.00 0.00 177.57 178.45 1xre h ASN 38 N 0.41 0.76 -0.02 0.57 2.35 -1.14 -1.53 115.58 116.99 1xre h ASN 38 Ca 0.12 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.50 1xre h ASN 38 Cb 0.06 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1xre h ASN 38 CO -0.02 0.85 -0.26 0.78 -1.65 0.00 0.00 177.43 177.13 1xre h ASN 39 N 0.65 0.44 0.28 5.81 2.35 -1.08 -0.55 115.58 123.47 1xre h ASN 39 Ca 0.14 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1xre h ASN 39 Cb 0.43 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1xre h ASN 39 CO 0.01 0.69 -0.13 0.25 -1.65 0.00 0.00 177.43 176.60 1xre h LEU 40 N 0.39 -0.32 -0.96 1.61 5.85 -0.96 -1.00 115.31 119.92 1xre h LEU 40 Ca 0.06 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1xre h LEU 40 Cb 0.66 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 1xre h LEU 40 CO 0.05 -0.13 0.61 0.78 -0.34 0.00 0.00 178.44 179.41 1xre h ASN 41 N -0.49 0.97 -0.53 1.25 2.35 -1.19 -2.42 115.58 115.53 1xre h ASN 41 Ca -0.04 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1xre h ASN 41 Cb 0.37 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1xre h ASN 41 CO 0.06 0.62 0.29 0.00 -1.65 0.00 0.00 177.43 176.75 1xre h ALA 42 N 1.44 0.68 -0.85 -0.83 0.00 -0.93 -0.79 119.26 117.98 1xre h ALA 42 Ca 0.42 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1xre h ALA 42 Cb 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1xre h ALA 42 CO -0.18 0.20 0.56 0.00 0.00 0.00 0.00 179.25 179.83 1xre h ALA 43 N 1.13 1.52 0.00 0.00 0.00 -0.79 -3.17 119.26 117.95 1xre h ALA 43 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xre h ALA 43 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xre h ALA 43 CO -0.03 0.38 -1.04 1.28 0.00 0.00 0.00 179.25 179.84 1xre n LEU 44 N -4.46 0.61 -0.25 0.00 4.77 -0.95 -4.54 117.00 112.17 1xre n LEU 44 Ca 0.12 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1xre n LEU 44 Cb 0.15 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1xre n LEU 44 CO 0.34 0.04 0.35 -0.62 -1.33 0.00 0.00 177.39 176.17 1xre n GLU 45 N -1.99 -0.19 -0.62 3.23 1.02 -0.33 -1.54 120.64 120.23 1xre n GLU 45 Ca 0.02 0.98 0.09 0.00 -0.02 0.00 0.00 57.16 58.23 1xre n GLU 45 Cb 0.44 -1.45 0.35 0.00 -0.02 0.00 0.00 31.44 30.76 1xre n GLU 45 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xre n ASN 46 N -4.90 4.74 -3.60 1.62 3.02 -1.26 -4.53 115.26 110.34 1xre n ASN 46 Ca 0.05 -2.54 -0.27 0.00 -0.03 0.00 0.00 54.58 51.78 1xre n ASN 46 Cb 0.23 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.73 1xre n ASN 46 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1xre n TYR 47 N 0.88 3.08 0.32 3.10 4.02 -0.59 -4.94 117.16 123.03 1xre n TYR 47 Ca 0.25 -4.15 0.14 0.00 -0.01 0.00 0.00 57.90 54.13 1xre n TYR 47 Cb 0.91 -0.54 0.63 0.00 -0.02 0.00 0.00 39.34 40.32 1xre n TYR 47 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1xre h SER 48 N 4.71 0.00 0.24 7.72 4.64 -1.80 -1.05 113.55 128.01 1xre h SER 48 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1xre h SER 48 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1xre h SER 48 CO 0.75 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.87 1xre n GLU 49 N -2.55 0.09 -0.01 4.77 0.00 -1.26 -2.61 120.64 119.07 1xre n GLU 49 Ca 0.01 0.49 0.07 0.00 0.00 0.00 0.00 57.16 57.72 1xre n GLU 49 Cb 0.21 -1.73 0.06 0.00 0.00 0.00 0.00 31.44 29.97 1xre n GLU 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xre n LEU 50 N -1.91 2.13 0.20 -1.84 4.77 -0.40 -4.71 117.00 115.25 1xre n LEU 50 Ca 0.01 -1.04 0.14 0.00 -0.03 0.00 0.00 56.01 55.09 1xre n LEU 50 Cb 0.09 -0.01 0.60 0.00 -2.33 0.00 0.00 43.42 41.77 1xre n LEU 50 CO 0.10 0.40 0.92 0.45 -1.33 0.00 0.00 177.39 177.93 1xre h HIS 51 N 2.58 0.00 -0.08 -1.77 3.86 -1.61 -2.36 115.15 115.76 1xre h HIS 51 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xre h HIS 51 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1xre h HIS 51 CO 0.01 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.89 1xre n ASN 52 N -2.58 2.77 -4.76 2.45 3.02 -1.26 -4.95 115.26 109.95 1xre n ASN 52 Ca 0.01 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.30 1xre n ASN 52 Cb 0.23 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1xre n ASN 52 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xre s LYS 53 N -1.62 4.41 0.72 3.52 -0.14 -0.89 -5.02 119.74 120.72 1xre s LYS 53 Ca 0.25 2.10 -0.11 0.00 -1.36 0.00 0.00 55.97 56.85 1xre s LYS 53 Cb 0.17 -3.13 0.02 0.00 -1.68 0.00 0.00 37.83 33.22 1xre s LYS 53 CO 0.26 -0.16 1.10 -1.54 -0.76 0.00 0.00 175.35 174.25 1xre s SER 54 N -0.24 5.28 0.21 2.83 1.04 -1.26 -4.89 113.70 116.67 1xre s SER 54 Ca 0.51 1.16 -0.09 0.00 0.48 0.00 0.00 55.95 58.01 1xre s SER 54 Cb -0.38 -1.94 0.26 0.00 0.10 0.00 0.00 66.02 64.06 1xre s SER 54 CO 0.46 -1.45 1.81 0.25 0.98 0.00 0.00 173.24 175.28 1xre h LEU 55 N -0.73 0.55 -0.73 2.42 5.85 -2.00 -1.99 115.31 118.68 1xre h LEU 55 Ca -0.45 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1xre h LEU 55 Cb 1.26 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1xre h LEU 55 CO 0.63 0.35 0.45 -0.33 -0.34 0.00 0.00 178.44 179.20 1xre h GLU 56 N 0.68 0.84 -0.49 1.25 3.07 -1.98 -1.90 114.58 116.05 1xre h GLU 56 Ca 0.31 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.09 1xre h GLU 56 Cb 0.21 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1xre h GLU 56 CO -0.19 0.56 0.19 0.93 -1.40 0.00 0.00 179.01 179.10 1xre h GLU 57 N 0.87 0.74 -0.09 2.33 5.08 -1.75 0.19 114.58 121.94 1xre h GLU 57 Ca 0.30 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1xre h GLU 57 Cb 0.07 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1xre h GLU 57 CO -0.13 0.66 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.37 1xre h LEU 58 N 0.66 -0.30 -0.78 1.33 4.07 -1.18 -2.48 115.31 116.63 1xre h LEU 58 Ca 0.16 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 1xre h LEU 58 Cb 0.20 0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.09 1xre h LEU 58 CO -0.01 -0.14 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.02 1xre h LEU 59 N -0.13 0.00 0.00 1.67 3.38 -0.96 -2.52 115.31 116.75 1xre h LEU 59 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xre h LEU 59 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xre h LEU 59 CO -0.16 0.12 -0.15 0.00 0.09 0.00 0.00 178.44 178.34 1xre n ASN 61 N -1.87 2.16 0.13 0.00 4.13 -0.95 -4.91 115.26 113.95 1xre n ASN 61 Ca 0.06 -2.40 0.02 0.00 1.68 0.00 0.00 54.58 53.94 1xre n ASN 61 Cb 0.39 -0.46 0.39 0.00 -1.54 0.00 0.00 39.78 38.56 1xre n ASN 61 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1xre h LEU 62 N 2.58 0.20 -2.12 3.41 3.38 -1.75 -2.37 115.31 118.63 1xre h LEU 62 Ca -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xre h LEU 62 Cb 1.30 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1xre h LEU 62 CO 0.32 0.37 -0.04 -0.33 0.09 0.00 0.00 178.44 178.86 1xre h GLU 63 N 0.21 0.00 -0.01 1.13 3.07 -1.92 -2.91 114.58 114.15 1xre h GLU 63 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1xre h GLU 63 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1xre h GLU 63 CO 0.02 0.04 -0.18 0.25 -1.40 0.00 0.00 179.01 177.74 1xre n THR 64 N -4.16 0.00 -2.47 1.13 -2.24 -0.89 -4.88 114.28 100.77 1xre n THR 64 Ca -0.03 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 1xre n THR 64 Cb 0.12 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1xre n THR 64 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xre s LEU 65 N -2.43 3.74 0.15 3.22 1.43 -1.10 -5.00 118.68 118.69 1xre s LEU 65 Ca 0.28 1.75 -0.34 0.00 -1.03 0.00 0.00 54.13 54.79 1xre s LEU 65 Cb 0.20 -4.54 -0.16 0.00 0.03 0.00 0.00 46.19 41.72 1xre s LEU 65 CO 0.48 -0.70 1.22 -2.65 0.23 0.00 0.00 176.35 174.93 1xre n PRO 66 N -1.27 1.21 0.10 1.29 -0.02 -1.26 -4.78 135.00 130.27 1xre n PRO 66 Ca 0.08 0.43 0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1xre n PRO 66 Cb 0.53 -1.97 0.50 0.00 -0.02 0.00 0.00 33.50 32.54 1xre n PRO 66 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1xre h LYS 67 N 3.71 0.33 -0.37 -0.52 1.79 -1.94 -0.94 116.57 118.63 1xre h LYS 67 Ca -0.44 -0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.11 1xre h LYS 67 Cb 1.34 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1xre h LYS 67 CO 0.72 0.23 0.36 0.93 -1.08 0.00 0.00 179.45 180.62 1xre h GLU 68 N 0.34 0.00 0.00 3.15 3.07 -2.04 -3.29 114.58 115.82 1xre h GLU 68 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1xre h GLU 68 Cb -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1xre h GLU 68 CO -0.02 0.00 0.00 0.44 -1.40 0.00 0.00 179.01 178.03 1xre n ILE 69 N -3.89 0.00 -0.19 3.13 -5.35 -0.41 -4.81 119.36 107.84 1xre n ILE 69 Ca 0.06 -0.40 0.01 0.00 -0.27 0.00 0.00 62.75 62.15 1xre n ILE 69 Cb 0.53 1.08 0.10 0.00 -1.74 0.00 0.00 39.64 39.61 1xre n ILE 69 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1xre h VAL 70 N 0.08 0.59 -0.03 7.28 3.04 -1.48 -0.10 116.25 125.62 1xre h VAL 70 Ca 0.00 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1xre h VAL 70 Cb 0.04 0.38 -0.00 0.00 -2.01 0.00 0.00 31.29 29.69 1xre h VAL 70 CO 0.00 0.04 0.01 0.74 -1.01 0.00 0.00 177.57 177.35 1xre h THR 71 N 0.19 1.15 -1.00 3.17 2.02 -1.87 0.15 112.91 116.72 1xre h THR 71 Ca 0.31 -0.43 0.11 0.00 0.77 0.00 0.00 66.41 67.16 1xre h THR 71 Cb 0.48 1.38 -0.08 0.00 -1.74 0.00 0.00 68.15 68.20 1xre h THR 71 CO -0.45 0.12 0.63 0.00 0.37 0.00 0.00 175.52 176.20 1xre h ALA 72 N 0.84 1.51 0.02 6.16 0.00 -1.79 0.47 119.26 126.46 1xre h ALA 72 Ca 0.01 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1xre h ALA 72 Cb 0.18 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xre h ALA 72 CO -0.00 0.28 -1.07 0.28 0.00 0.00 0.00 179.25 178.74 1xre h VAL 73 N 1.03 1.28 -0.17 0.00 2.07 -0.70 0.24 116.25 120.01 1xre h VAL 73 Ca 0.48 -2.29 0.04 0.00 0.82 0.00 0.00 66.70 65.75 1xre h VAL 73 Cb 0.41 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.55 1xre h VAL 73 CO -0.23 0.70 -0.13 -0.09 0.02 0.00 0.00 177.57 177.84 1xre h ARG 74 N 0.37 -0.13 -0.00 1.57 2.43 -0.12 0.43 114.38 118.93 1xre h ARG 74 Ca -0.14 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1xre h ARG 74 Cb 1.72 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 1xre h ARG 74 CO 0.21 -0.08 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.62 1xre h ASN 75 N -0.13 0.05 0.40 -3.80 2.35 -0.95 -1.36 115.58 112.13 1xre h ASN 75 Ca 0.10 -0.77 -0.32 0.00 -0.55 0.00 0.00 56.30 54.77 1xre h ASN 75 Cb 0.29 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1xre h ASN 75 CO -0.25 0.81 -1.54 0.78 -1.65 0.00 0.00 177.43 175.58 1xre h ASN 76 N -0.71 0.49 -0.35 5.81 2.35 -1.01 -0.92 115.58 121.24 1xre h ASN 76 Ca -0.01 -0.65 0.03 0.00 -0.55 0.00 0.00 56.30 55.12 1xre h ASN 76 Cb 0.82 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1xre h ASN 76 CO 0.01 1.54 0.17 1.23 -1.65 0.00 0.00 177.43 178.73 1xre h GLY 77 N 1.29 0.48 0.66 2.83 0.00 -1.02 0.14 103.07 107.44 1xre h GLY 77 Ca -0.25 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.01 1xre h GLY 77 CO 0.18 0.09 0.30 -1.33 0.00 0.00 0.00 176.54 175.78 1xre h GLY 78 N 0.36 0.83 1.00 4.60 0.00 -1.26 -0.10 103.07 108.50 1xre h GLY 78 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1xre h GLY 78 CO -0.11 0.11 0.21 -1.33 0.00 0.00 0.00 176.54 175.42 1xre h GLY 79 N 0.56 0.99 0.93 4.60 0.00 -0.79 0.08 103.07 109.44 1xre h GLY 79 Ca 0.27 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1xre h GLY 79 CO -0.19 0.53 0.03 0.84 0.00 0.00 0.00 176.54 177.75 1xre h HIS 80 N 0.85 0.08 0.13 5.60 2.76 -0.60 -2.56 115.15 121.41 1xre h HIS 80 Ca 0.20 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1xre h HIS 80 Cb 0.25 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1xre h HIS 80 CO 0.02 0.13 -0.06 -0.92 -1.30 0.00 0.00 177.93 175.79 1xre h TYR 81 N 0.01 -0.16 -0.54 5.26 3.20 -0.62 -2.05 116.97 122.07 1xre h TYR 81 Ca 0.02 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1xre h TYR 81 Cb 0.07 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1xre h TYR 81 CO -0.05 -0.07 0.13 0.00 -1.64 0.00 0.00 178.16 176.52 1xre h HIS 83 N 0.77 0.91 -0.60 0.00 3.86 -1.47 -1.54 115.15 117.09 1xre h HIS 83 Ca 0.17 -0.37 0.02 0.00 -1.16 0.00 0.00 60.37 59.02 1xre h HIS 83 Cb 0.35 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1xre h HIS 83 CO 0.02 1.18 0.38 0.77 0.86 0.00 0.00 177.93 181.14 1xre h SER 84 N 0.50 0.64 -0.37 2.45 0.02 -1.25 -0.94 113.55 114.59 1xre h SER 84 Ca -0.02 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 1xre h SER 84 Cb 1.29 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1xre h SER 84 CO 0.14 0.45 -0.26 0.25 -1.14 0.00 0.00 176.83 176.27 1xre h LEU 85 N 0.76 0.88 -0.55 5.07 6.46 -1.37 -3.06 115.31 123.50 1xre h LEU 85 Ca 0.23 -0.43 0.09 0.00 -0.12 0.00 0.00 57.88 57.65 1xre h LEU 85 Cb -0.03 -0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 39.59 1xre h LEU 85 CO -0.08 1.12 0.17 0.15 -0.62 0.00 0.00 178.44 179.19 1xre h PHE 86 N 0.64 0.29 -0.31 1.25 3.57 -0.68 -1.88 116.94 119.82 1xre h PHE 86 Ca 0.07 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1xre h PHE 86 Cb 0.83 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1xre h PHE 86 CO 0.06 0.06 -0.11 -1.49 -2.23 0.00 0.00 178.31 174.60 1xre h TRP 87 N 0.33 0.57 -0.13 0.41 -0.00 -1.18 -2.96 115.95 112.99 1xre h TRP 87 Ca 0.28 -0.08 -0.14 0.00 -0.00 0.00 0.00 58.89 58.95 1xre h TRP 87 Cb 0.35 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.35 1xre h TRP 87 CO -0.19 0.62 -0.51 0.93 -0.00 0.00 0.00 178.44 179.29 1xre h GLU 88 N 0.49 0.36 -0.39 0.49 5.08 -1.26 -3.16 114.58 116.19 1xre h GLU 88 Ca 0.09 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1xre h GLU 88 Cb 0.48 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1xre h GLU 88 CO 0.03 0.79 0.00 1.33 -1.00 0.00 0.00 179.01 180.16 1xre n VAL 89 N -3.95 0.52 -4.36 3.13 0.24 -0.84 -4.80 118.33 108.26 1xre n VAL 89 Ca -0.02 -0.53 -0.25 0.00 -2.04 0.00 0.00 64.34 61.50 1xre n VAL 89 Cb 0.56 0.27 -0.09 0.00 -1.47 0.00 0.00 33.84 33.11 1xre n VAL 89 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1xre s MET 90 N -1.48 1.93 -0.10 7.34 -1.94 -1.19 -0.21 119.30 123.64 1xre s MET 90 Ca 0.27 -1.47 -0.21 0.00 -1.71 0.00 0.00 55.69 52.56 1xre s MET 90 Cb 0.14 -2.01 0.05 0.00 2.01 0.00 0.00 34.83 35.02 1xre s MET 90 CO 0.18 0.39 0.51 0.45 -0.01 0.00 0.00 175.02 176.54 1xre s SER 91 N -3.18 -0.48 0.53 3.03 0.15 0.27 -4.70 113.70 109.32 1xre s SER 91 Ca 0.27 0.68 0.35 0.00 0.70 0.00 0.00 55.95 57.95 1xre s SER 91 Cb -0.07 0.70 1.80 0.00 -1.71 0.00 0.00 66.02 66.74 1xre s SER 91 CO 0.15 -0.39 2.07 1.55 1.20 0.00 0.00 173.24 177.83 1xre h PRO 92 N 4.18 0.00 -1.90 5.44 0.13 -1.86 -3.07 132.00 134.92 1xre h PRO 92 Ca -0.28 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.31 1xre h PRO 92 Cb 1.16 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.88 1xre h PRO 92 CO 0.30 0.00 -0.85 2.89 -0.23 0.00 0.00 178.00 180.12 1xre n ARG 93 N -2.81 2.55 0.00 0.86 1.85 -1.26 -5.03 116.66 112.83 1xre n ARG 93 Ca -0.01 -4.28 0.00 0.00 -1.00 0.00 0.00 57.85 52.56 1xre n ARG 93 Cb 0.12 -2.01 0.00 0.00 -1.05 0.00 0.00 32.46 29.52 1xre n ARG 93 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xre n GLY 94 N -0.17 3.90 3.91 2.89 0.00 -1.16 -5.00 105.19 109.56 1xre n GLY 94 Ca 0.29 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1xre n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xre n GLY 95 N 5.00 -1.86 7.00 -0.02 0.00 0.42 -4.72 105.19 111.01 1xre n GLY 95 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1xre n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xre n GLY 96 N 0.00 -0.17 3.92 -0.02 0.00 -1.26 -4.83 105.19 102.83 1xre n GLY 96 Ca 0.00 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 1xre n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xre s GLU 97 N 0.00 3.58 0.64 1.61 2.02 -1.26 -5.03 118.70 120.25 1xre s GLU 97 Ca 0.00 -0.07 -0.18 0.00 0.02 0.00 0.00 54.97 54.74 1xre s GLU 97 Cb 0.00 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.59 1xre s GLU 97 CO 0.00 0.14 1.16 -2.30 0.02 0.00 0.00 175.26 174.28 1xre n PRO 98 N -1.35 1.01 -4.52 0.39 -0.02 -1.26 -4.97 135.00 124.28 1xre n PRO 98 Ca -0.02 0.40 -0.25 0.00 -2.02 0.00 0.00 63.50 61.61 1xre n PRO 98 Cb 0.55 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 1xre n PRO 98 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xre s ASN 99 N -1.34 2.86 0.41 2.55 2.20 -1.26 -4.78 114.94 115.58 1xre s ASN 99 Ca 0.80 -1.47 0.00 0.00 -0.94 0.00 0.00 52.86 51.26 1xre s ASN 99 Cb -0.39 0.06 0.00 0.00 -2.00 0.00 0.00 41.25 38.91 1xre s ASN 99 CO 0.43 -0.68 0.00 0.61 -2.94 0.00 0.00 177.10 174.52 1xre n GLY 100 N -0.84 -0.88 0.29 0.45 0.00 -1.26 -3.56 105.19 99.39 1xre n GLY 100 Ca -0.05 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.84 1xre n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xre h ASP 101 N 0.00 0.43 0.99 1.61 3.32 -1.99 -2.54 116.42 118.25 1xre h ASP 101 Ca 0.00 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1xre h ASP 101 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1xre h ASP 101 CO 0.00 0.38 -0.40 1.62 -1.72 0.00 0.00 179.24 179.12 1xre h VAL 102 N 0.49 0.86 -0.88 -1.35 3.04 -1.90 -2.67 116.25 113.84 1xre h VAL 102 Ca 0.13 -1.67 0.08 0.00 -1.01 0.00 0.00 66.70 64.22 1xre h VAL 102 Cb 0.06 2.04 -0.06 0.00 -2.01 0.00 0.00 31.29 31.31 1xre h VAL 102 CO -0.02 0.39 0.57 0.00 -1.01 0.00 0.00 177.57 177.51 1xre h ALA 103 N 1.60 1.58 -0.21 3.17 0.00 -1.50 0.33 119.26 124.23 1xre h ALA 103 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1xre h ALA 103 Cb 1.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xre h ALA 103 CO 0.05 0.27 -0.25 0.87 0.00 0.00 0.00 179.25 180.19 1xre h LYS 104 N 0.95 0.54 -0.02 0.00 1.57 -1.58 -2.01 116.57 116.03 1xre h LYS 104 Ca 0.39 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1xre h LYS 104 Cb 0.28 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1xre h LYS 104 CO -0.15 0.90 -0.52 -0.24 -0.57 0.00 0.00 179.45 178.86 1xre h VAL 105 N 0.22 1.37 0.01 0.50 3.04 -1.42 -1.36 116.25 118.62 1xre h VAL 105 Ca 0.03 -1.79 -0.00 0.00 -1.01 0.00 0.00 66.70 63.93 1xre h VAL 105 Cb 0.82 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 1xre h VAL 105 CO 0.06 0.52 -0.00 0.40 -1.01 0.00 0.00 177.57 177.53 1xre h ILE 106 N 0.04 1.08 -0.73 3.17 2.04 -0.83 -2.00 117.51 120.30 1xre h ILE 106 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1xre h ILE 106 Cb 0.94 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 1xre h ILE 106 CO 0.07 0.07 0.47 0.44 0.00 0.00 0.00 178.15 179.20 1xre h ASP 107 N -0.12 0.84 -0.34 1.72 3.32 -1.11 0.33 116.42 121.06 1xre h ASP 107 Ca -0.00 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1xre h ASP 107 Cb 0.12 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1xre h ASP 107 CO 0.00 0.62 0.19 0.22 -1.72 0.00 0.00 179.24 178.55 1xre h TYR 108 N 0.99 0.35 0.00 4.55 3.20 -0.87 0.15 116.97 125.33 1xre h TYR 108 Ca 0.27 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.01 1xre h TYR 108 Cb -0.09 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1xre h TYR 108 CO 0.00 0.20 -1.44 0.66 -1.64 0.00 0.00 178.16 175.94 1xre n TYR 109 N -4.91 0.84 0.13 -3.82 4.02 -0.78 -4.35 117.16 108.28 1xre n TYR 109 Ca -0.00 0.27 0.02 0.00 -0.01 0.00 0.00 57.90 58.18 1xre n TYR 109 Cb 0.06 -1.01 0.01 0.00 -0.02 0.00 0.00 39.34 38.38 1xre n TYR 109 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1xre n PHE 110 N -2.79 0.00 0.00 -0.72 3.01 0.07 -5.04 117.46 112.00 1xre n PHE 110 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1xre n PHE 110 Cb 0.78 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.25 1xre n PHE 110 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1xre n ASN 111 N 0.03 0.00 -4.25 4.37 2.85 0.51 -4.56 115.26 114.22 1xre n ASN 111 Ca 0.02 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.32 1xre n ASN 111 Cb 0.07 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.99 1xre n ASN 111 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1xre s THR 112 N 0.00 1.29 0.24 -0.44 -4.23 -1.26 -4.65 115.64 106.60 1xre s THR 112 Ca 0.00 -1.84 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 1xre s THR 112 Cb 0.00 -1.64 0.22 0.00 1.34 0.00 0.00 72.50 72.42 1xre s THR 112 CO 0.00 -0.53 1.85 0.15 -0.54 0.00 0.00 174.62 175.55 1xre h PHE 113 N 3.24 1.00 -0.71 3.99 3.57 -1.89 -2.54 116.94 123.61 1xre h PHE 113 Ca -0.39 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.21 1xre h PHE 113 Cb 1.20 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1xre h PHE 113 CO 0.66 0.50 0.46 -0.44 -2.23 0.00 0.00 178.31 177.26 1xre h ASP 114 N 0.98 0.64 -0.38 0.41 3.32 -1.96 -0.32 116.42 119.10 1xre h ASP 114 Ca 0.38 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.27 1xre h ASP 114 Cb 0.18 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1xre h ASP 114 CO -0.18 0.41 -0.40 -1.13 -1.72 0.00 0.00 179.24 176.22 1xre h ASN 115 N 0.72 1.00 -0.24 6.45 -1.24 -1.73 -0.81 115.58 119.74 1xre h ASN 115 Ca 0.31 -0.47 0.03 0.00 0.71 0.00 0.00 56.30 56.88 1xre h ASN 115 Cb 0.27 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 1xre h ASN 115 CO -0.10 1.27 0.04 0.25 -1.29 0.00 0.00 177.43 177.60 1xre h LEU 116 N 0.76 -0.01 -0.42 0.34 5.85 -1.05 -1.34 115.31 119.44 1xre h LEU 116 Ca 0.06 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1xre h LEU 116 Cb 1.00 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1xre h LEU 116 CO 0.10 0.03 0.12 0.11 -0.34 0.00 0.00 178.44 178.46 1xre h LYS 117 N 0.13 0.27 -0.46 1.25 1.57 -0.90 -0.62 116.57 117.80 1xre h LYS 117 Ca 0.11 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1xre h LYS 117 Cb 0.12 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1xre h LYS 117 CO -0.16 0.18 0.19 -0.44 -0.57 0.00 0.00 179.45 178.65 1xre h ASP 118 N 0.28 0.23 -0.28 0.86 3.32 -0.91 -1.20 116.42 118.72 1xre h ASP 118 Ca 0.20 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 1xre h ASP 118 Cb 0.21 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1xre h ASP 118 CO -0.23 0.17 -0.19 1.56 -1.72 0.00 0.00 179.24 178.83 1xre h GLN 119 N 0.38 0.62 -0.41 3.56 4.20 -0.77 -1.65 115.11 121.04 1xre h GLN 119 Ca 0.21 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 1xre h GLN 119 Cb 0.18 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1xre h GLN 119 CO -0.19 0.88 -0.22 1.25 -0.67 0.00 0.00 178.83 179.88 1xre h LEU 120 N 0.35 0.91 -0.55 1.46 5.85 -1.12 -1.95 115.31 120.27 1xre h LEU 120 Ca 0.05 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.43 1xre h LEU 120 Cb 0.73 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1xre h LEU 120 CO 0.05 1.13 0.25 0.28 -0.34 0.00 0.00 178.44 179.81 1xre h SER 121 N 0.70 0.33 -0.29 1.25 0.02 -1.18 -0.85 113.55 113.53 1xre h SER 121 Ca 0.09 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1xre h SER 121 Cb 0.79 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1xre h SER 121 CO 0.07 0.22 0.11 0.50 -1.14 0.00 0.00 176.83 176.58 1xre h LYS 122 N 0.48 0.44 -0.93 3.45 3.64 -1.18 -0.17 116.57 122.29 1xre h LYS 122 Ca 0.26 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1xre h LYS 122 Cb 0.22 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1xre h LYS 122 CO -0.21 0.48 0.59 0.00 -2.27 0.00 0.00 179.45 178.04 1xre h ALA 123 N 0.94 1.28 -0.10 5.00 0.00 -1.02 0.13 119.26 125.49 1xre h ALA 123 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xre h ALA 123 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xre h ALA 123 CO -0.01 0.38 -0.41 0.00 0.00 0.00 0.00 179.25 179.22 1xre h ALA 124 N 1.42 0.18 -0.42 0.00 0.00 -0.99 -2.85 119.26 116.60 1xre h ALA 124 Ca 0.40 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1xre h ALA 124 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xre h ALA 124 CO -0.16 0.30 -0.19 0.82 0.00 0.00 0.00 179.25 180.02 1xre h ILE 125 N 0.02 1.27 0.00 0.00 2.04 -0.81 -2.98 117.51 117.05 1xre h ILE 125 Ca -0.02 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1xre h ILE 125 Cb 1.05 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1xre h ILE 125 CO 0.09 0.44 0.00 -1.20 0.00 0.00 0.00 178.15 177.48 1xre n SER 126 N -4.12 0.09 -4.58 1.72 7.64 0.43 -4.70 113.62 110.10 1xre n SER 126 Ca 0.00 0.52 -0.41 0.00 1.01 0.00 0.00 58.87 59.99 1xre n SER 126 Cb 0.42 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1xre n SER 126 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1xre s ARG 127 N -3.03 3.05 0.02 1.43 6.06 -1.08 -4.96 118.95 120.44 1xre s ARG 127 Ca 0.09 1.03 -0.30 0.00 -2.50 0.00 0.00 55.73 54.05 1xre s ARG 127 Cb 0.13 -4.26 -0.05 0.00 0.06 0.00 0.00 34.95 30.83 1xre s ARG 127 CO 0.38 -2.21 1.14 0.12 -2.50 0.00 0.00 175.30 172.22 1xre s PHE 128 N 7.72 3.45 0.00 5.12 5.36 -1.26 -4.76 117.98 133.62 1xre s PHE 128 Ca 0.73 1.39 0.00 0.00 -0.96 0.00 0.00 56.93 58.09 1xre s PHE 128 Cb -0.17 -3.34 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 1xre s PHE 128 CO 0.28 -0.95 0.00 0.41 -1.46 0.00 0.00 175.22 173.50 1xre n GLY 129 N 3.16 0.01 3.84 13.12 0.00 -1.26 -4.89 105.19 119.17 1xre n GLY 129 Ca 0.09 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 1xre n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xre s SER 130 N -4.00 6.81 0.00 1.61 0.01 -1.26 -4.81 113.70 112.06 1xre s SER 130 Ca 0.00 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.28 1xre s SER 130 Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1xre s SER 130 CO 0.00 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1xre n GLY 131 N 1.09 -1.03 3.13 3.44 0.00 -1.26 -0.33 105.19 110.23 1xre n GLY 131 Ca -0.08 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 1xre n GLY 131 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xre s TYR 132 N -3.00 0.94 -0.04 1.61 1.51 -0.57 -1.20 117.35 116.60 1xre s TYR 132 Ca 0.00 -0.56 -0.03 0.00 -1.01 0.00 0.00 57.07 55.47 1xre s TYR 132 Cb 0.00 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1xre s TYR 132 CO 0.00 -0.03 0.14 0.20 -1.11 0.00 0.00 175.55 174.76 1xre s GLY 133 N -1.96 2.12 0.03 0.71 0.00 -0.15 -2.10 107.32 105.97 1xre s GLY 133 Ca -0.02 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 43.97 1xre s GLY 133 CO 0.00 -0.61 -0.11 -0.98 0.00 0.00 0.00 173.10 171.40 1xre s TRP 134 N -1.21 0.98 -0.17 1.90 0.52 0.12 -0.97 118.94 120.11 1xre s TRP 134 Ca 0.23 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 55.99 1xre s TRP 134 Cb -0.12 -0.60 -0.03 0.00 -1.15 0.00 0.00 33.47 31.57 1xre s TRP 134 CO 0.14 0.00 -0.00 -1.17 0.02 0.00 0.00 176.95 175.94 1xre s LEU 135 N -0.92 3.44 0.10 2.99 2.96 -0.31 -1.62 118.68 125.32 1xre s LEU 135 Ca 0.00 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1xre s LEU 135 Cb -0.07 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1xre s LEU 135 CO 0.01 0.16 -0.08 0.68 -1.32 0.00 0.00 176.35 175.80 1xre s VAL 136 N 0.44 0.80 -0.23 1.68 -7.23 -0.11 -1.11 120.40 114.64 1xre s VAL 136 Ca -0.01 -1.83 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1xre s VAL 136 Cb -0.14 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1xre s VAL 136 CO 0.02 -0.76 0.09 -0.22 -0.31 0.00 0.00 175.10 173.92 1xre s LEU 137 N -2.84 3.68 -0.52 1.32 2.96 0.20 -1.76 118.68 121.71 1xre s LEU 137 Ca 0.10 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1xre s LEU 137 Cb 0.02 -1.97 0.14 0.00 0.50 0.00 0.00 46.19 44.88 1xre s LEU 137 CO -0.03 0.04 0.31 -0.62 -1.32 0.00 0.00 176.35 174.73 1xre s ASP 138 N 1.17 3.97 1.06 3.68 3.68 0.25 -0.89 116.67 129.59 1xre s ASP 138 Ca 0.05 -3.06 0.00 0.00 2.13 0.00 0.00 52.55 51.67 1xre s ASP 138 Cb -0.14 -1.32 0.00 0.00 -1.45 0.00 0.00 42.92 40.00 1xre s ASP 138 CO 0.04 -0.21 0.00 0.61 0.13 0.00 0.00 175.17 175.74 1xre n GLY 139 N 3.00 2.13 0.01 2.66 0.00 -1.26 -2.23 105.19 109.50 1xre n GLY 139 Ca 0.11 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1xre n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xre n GLU 140 N 8.23 0.08 -3.34 1.61 1.02 -1.26 -4.99 120.64 121.99 1xre n GLU 140 Ca 0.00 -0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 1xre n GLU 140 Cb 0.00 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 29.84 1xre n GLU 140 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1xre s GLU 141 N -3.05 4.20 -0.07 3.49 2.12 -0.95 -5.07 118.70 119.36 1xre s GLU 141 Ca 0.08 0.54 -0.22 0.00 0.36 0.00 0.00 54.97 55.73 1xre s GLU 141 Cb 0.16 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1xre s GLU 141 CO 0.79 0.42 0.63 -0.51 -0.54 0.00 0.00 175.26 176.06 1xre s LEU 142 N -0.29 4.32 0.08 2.70 1.02 -1.26 -0.58 118.68 124.67 1xre s LEU 142 Ca 0.27 1.08 -0.01 0.00 0.02 0.00 0.00 54.13 55.50 1xre s LEU 142 Cb -0.17 -2.96 -0.04 0.00 0.02 0.00 0.00 46.19 43.04 1xre s LEU 142 CO 0.14 -0.06 -0.01 -0.94 0.02 0.00 0.00 176.35 175.49 1xre s SER 143 N 0.65 0.57 -0.04 2.29 1.04 -0.72 -4.96 113.70 112.53 1xre s SER 143 Ca 0.34 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1xre s SER 143 Cb -0.17 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1xre s SER 143 CO 0.16 -0.61 0.00 -0.69 0.98 0.00 0.00 173.24 173.08 1xre s VAL 144 N -3.90 4.23 0.31 5.02 1.01 -1.26 -0.93 120.40 124.88 1xre s VAL 144 Ca 0.12 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1xre s VAL 144 Cb 0.07 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1xre s VAL 144 CO -0.06 0.47 0.60 0.00 0.00 0.00 0.00 175.10 176.12 1xre s MET 145 N -1.27 1.85 0.19 2.72 0.23 -0.64 -5.00 119.30 117.38 1xre s MET 145 Ca 0.17 -1.37 0.07 0.00 -1.03 0.00 0.00 55.69 53.53 1xre s MET 145 Cb -0.11 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.67 1xre s MET 145 CO 0.07 -0.81 -0.14 -1.54 -2.03 0.00 0.00 175.02 170.56 1xre s SER 146 N -3.06 2.44 0.07 -1.18 1.04 -1.26 0.14 113.70 111.89 1xre s SER 146 Ca 0.20 -0.99 0.04 0.00 0.48 0.00 0.00 55.95 55.69 1xre s SER 146 Cb -0.03 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1xre s SER 146 CO 0.12 -0.18 -0.12 0.42 0.98 0.00 0.00 173.24 174.45 1xre s THR 147 N -2.90 1.01 0.38 2.02 -4.23 -0.89 -5.00 115.64 106.03 1xre s THR 147 Ca 0.20 -1.35 -0.22 0.00 -1.18 0.00 0.00 61.69 59.14 1xre s THR 147 Cb -0.01 -1.07 -0.10 0.00 1.34 0.00 0.00 72.50 72.66 1xre s THR 147 CO 0.06 -0.32 0.92 -2.16 -0.54 0.00 0.00 174.62 172.58 1xre s PRO 148 N -1.95 4.34 6.97 3.99 0.04 -1.26 -1.51 135.00 145.61 1xre s PRO 148 Ca -0.01 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1xre s PRO 148 Cb -0.09 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1xre s PRO 148 CO 0.02 0.11 0.00 0.09 0.04 0.00 0.00 177.00 177.26 1xre n ASN 149 N -0.14 0.00 -1.19 6.66 5.03 0.55 -1.37 115.26 124.81 1xre n ASN 149 Ca 0.05 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.50 1xre n ASN 149 Cb 0.52 0.00 0.24 0.00 -1.02 0.00 0.00 39.78 39.52 1xre n ASN 149 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xre n GLN 150 N 14.00 2.59 -2.19 3.52 1.13 -1.26 -4.27 117.38 130.90 1xre n GLN 150 Ca 0.00 -3.01 -0.35 0.00 -1.94 0.00 0.00 57.00 51.71 1xre n GLN 150 Cb 0.00 -1.90 0.01 0.00 0.11 0.00 0.00 30.24 28.46 1xre n GLN 150 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xre s ASP 151 N -2.02 5.66 0.22 1.08 1.01 -0.47 -4.32 116.67 117.84 1xre s ASP 151 Ca 0.45 2.12 0.06 0.00 0.71 0.00 0.00 52.55 55.89 1xre s ASP 151 Cb 0.38 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.69 1xre s ASP 151 CO 0.06 -1.26 -0.08 0.42 0.21 0.00 0.00 175.17 174.53 1xre s THR 152 N -1.89 1.40 -1.19 -1.27 -4.23 -1.26 -4.74 115.64 102.47 1xre s THR 152 Ca 0.71 -2.11 0.14 0.00 -1.18 0.00 0.00 61.69 59.25 1xre s THR 152 Cb -0.23 -2.18 0.17 0.00 1.34 0.00 0.00 72.50 71.60 1xre s THR 152 CO 0.29 -0.48 1.40 -2.65 -0.54 0.00 0.00 174.62 172.64 1xre n PRO 153 N -0.40 0.08 -0.17 3.99 -0.02 -1.26 -3.69 135.00 133.53 1xre n PRO 153 Ca -0.07 0.22 -0.07 0.00 -2.02 0.00 0.00 63.50 61.56 1xre n PRO 153 Cb 0.62 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.69 1xre n PRO 153 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xre h LEU 154 N 0.00 0.93 -1.98 2.45 3.38 -1.91 -0.86 115.31 117.31 1xre h LEU 154 Ca 0.00 -0.24 0.23 0.00 0.09 0.00 0.00 57.88 57.96 1xre h LEU 154 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1xre h LEU 154 CO 0.00 0.97 0.59 -0.61 0.09 0.00 0.00 178.44 179.49 1xre h GLN 155 N 0.89 0.00 -0.47 1.13 5.75 -1.72 -0.78 115.11 119.91 1xre h GLN 155 Ca 0.17 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1xre h GLN 155 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1xre h GLN 155 CO 0.02 0.00 0.00 0.39 -2.65 0.00 0.00 178.83 176.59 1xre n GLU 156 N -4.17 2.38 -1.02 1.69 1.02 -0.35 -4.98 120.64 115.21 1xre n GLU 156 Ca 0.16 -2.11 -0.01 0.00 -0.02 0.00 0.00 57.16 55.18 1xre n GLU 156 Cb 0.88 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1xre n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xre n GLY 157 N 1.45 0.42 3.92 0.62 0.00 -0.30 -5.04 105.19 106.26 1xre n GLY 157 Ca 0.20 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1xre n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xre s LYS 158 N -0.85 3.45 -0.30 1.61 1.02 -1.07 -4.84 119.74 118.76 1xre s LYS 158 Ca 0.00 -0.43 -0.06 0.00 0.02 0.00 0.00 55.97 55.49 1xre s LYS 158 Cb 0.00 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1xre s LYS 158 CO 0.00 0.60 0.07 0.42 -0.92 0.00 0.00 175.35 175.52 1xre s ILE 159 N -1.53 3.80 0.20 2.17 1.01 -0.07 -3.90 121.20 122.88 1xre s ILE 159 Ca 0.35 -0.84 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 1xre s ILE 159 Cb -0.13 -3.01 -0.11 0.00 0.01 0.00 0.00 42.46 39.23 1xre s ILE 159 CO 0.28 0.03 1.59 -2.84 0.00 0.00 0.00 174.94 173.99 1xre s PRO 160 N 1.46 4.19 -0.13 2.79 0.02 -1.26 -0.63 135.00 141.44 1xre s PRO 160 Ca 0.01 2.43 0.10 0.00 0.02 0.00 0.00 61.00 63.56 1xre s PRO 160 Cb -0.18 -3.12 -0.15 0.00 0.02 0.00 0.00 34.50 31.07 1xre s PRO 160 CO 0.02 -0.62 0.03 1.28 -0.33 0.00 0.00 177.00 177.38 1xre n LEU 161 N 3.57 0.21 -3.67 -5.54 4.77 -0.27 -4.94 117.00 111.14 1xre n LEU 161 Ca 0.13 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 1xre n LEU 161 Cb 0.38 0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1xre n LEU 161 CO 0.62 0.34 0.27 -0.22 -1.33 0.00 0.00 177.39 177.07 1xre s LEU 162 N -4.99 -0.19 -0.03 2.23 2.96 -1.16 -4.66 118.68 112.84 1xre s LEU 162 Ca -0.07 1.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.86 1xre s LEU 162 Cb 0.04 1.99 0.01 0.00 0.50 0.00 0.00 46.19 48.73 1xre s LEU 162 CO 0.50 -0.24 0.13 0.54 -1.32 0.00 0.00 176.35 175.96 1xre s VAL 163 N 0.11 0.03 -0.11 1.68 0.11 -1.26 -1.16 120.40 119.81 1xre s VAL 163 Ca -0.01 -0.27 0.03 0.00 -2.93 0.00 0.00 61.98 58.80 1xre s VAL 163 Cb -0.04 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1xre s VAL 163 CO 0.02 -0.15 -0.21 -0.51 -3.33 0.00 0.00 175.10 170.92 1xre s ILE 164 N -0.47 1.89 -0.33 7.04 2.07 -0.15 -4.80 121.20 126.45 1xre s ILE 164 Ca -0.06 -0.91 -0.28 0.00 -1.41 0.00 0.00 60.65 58.00 1xre s ILE 164 Cb -0.04 -1.66 0.02 0.00 0.13 0.00 0.00 42.46 40.91 1xre s ILE 164 CO 0.01 0.52 1.02 -0.62 -1.91 0.00 0.00 174.94 173.96 1xre s ASP 165 N 0.57 6.86 -0.19 4.50 -1.08 -1.26 -0.98 116.67 125.09 1xre s ASP 165 Ca -0.14 0.93 0.16 0.00 -0.52 0.00 0.00 52.55 52.97 1xre s ASP 165 Cb -0.17 -2.52 0.47 0.00 -1.46 0.00 0.00 42.92 39.25 1xre s ASP 165 CO 0.04 -0.86 1.37 1.33 0.52 0.00 0.00 175.17 177.58 1xre n VAL 166 N 5.87 2.26 -1.69 1.11 0.24 -0.34 -4.82 118.33 120.97 1xre n VAL 166 Ca 0.10 -2.17 -0.41 0.00 -2.04 0.00 0.00 64.34 59.82 1xre n VAL 166 Cb 0.47 -0.27 0.01 0.00 -1.47 0.00 0.00 33.84 32.59 1xre n VAL 166 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1xre n TRP 167 N -0.85 1.99 -0.05 6.34 7.02 -1.15 -4.43 117.44 126.31 1xre n TRP 167 Ca 0.23 0.51 0.12 0.00 -1.02 0.00 0.00 57.50 57.34 1xre n TRP 167 Cb 0.86 -2.35 0.53 0.00 -2.42 0.00 0.00 31.31 27.92 1xre n TRP 167 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1xre h GLU 168 N 2.00 0.34 -0.16 -0.99 5.08 -1.93 -1.12 114.58 117.79 1xre h GLU 168 Ca -0.47 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1xre h GLU 168 Cb 1.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1xre h GLU 168 CO 0.59 0.22 0.15 1.12 -1.00 0.00 0.00 179.01 180.10 1xre h HIS 169 N 0.35 0.00 0.00 4.33 2.07 -1.98 0.41 115.15 120.33 1xre h HIS 169 Ca 0.25 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.73 1xre h HIS 169 Cb 0.54 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.51 1xre h HIS 169 CO -0.00 0.00 -0.23 0.00 -3.07 0.00 0.00 177.93 174.63 1xre h ALA 170 N 1.85 1.28 0.00 6.11 0.00 -1.51 -3.38 119.26 123.60 1xre h ALA 170 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xre h ALA 170 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xre h ALA 170 CO -0.00 0.28 0.00 2.48 0.00 0.00 0.00 179.25 182.01 1xre n TYR 171 N -3.76 0.00 0.08 0.00 0.18 -0.80 -4.95 117.16 107.90 1xre n TYR 171 Ca -0.01 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.72 1xre n TYR 171 Cb 0.33 0.00 0.15 0.00 -0.38 0.00 0.00 39.34 39.44 1xre n TYR 171 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1xre h TYR 172 N 0.00 0.33 -0.50 -3.48 5.03 -1.13 -0.91 116.97 116.31 1xre h TYR 172 Ca 0.00 -0.11 -0.10 0.00 2.58 0.00 0.00 58.73 61.10 1xre h TYR 172 Cb 0.31 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 1xre h TYR 172 CO 0.00 0.75 -0.09 -0.07 -1.32 0.00 0.00 178.16 177.43 1xre h LEU 173 N 0.20 0.90 0.08 2.82 3.38 -1.87 -1.05 115.31 119.76 1xre h LEU 173 Ca 0.00 -0.27 -0.37 0.00 0.09 0.00 0.00 57.88 57.33 1xre h LEU 173 Cb 1.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1xre h LEU 173 CO 0.09 1.01 -2.14 1.17 0.09 0.00 0.00 178.44 178.65 1xre n LYS 174 N -4.16 0.72 0.00 1.13 4.81 -1.21 -4.64 118.16 114.81 1xre n LYS 174 Ca 0.02 0.22 0.04 0.00 -0.87 0.00 0.00 58.31 57.72 1xre n LYS 174 Cb 0.37 -1.65 -0.05 0.00 0.02 0.00 0.00 35.03 33.72 1xre n LYS 174 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xre n TYR 175 N -3.36 0.00 0.00 5.64 4.01 -0.35 -5.08 117.16 118.02 1xre n TYR 175 Ca -0.35 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 1xre n TYR 175 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 1xre n TYR 175 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1xre n GLN 176 N -1.19 0.00 0.00 -0.72 3.00 -0.40 -1.09 117.38 116.98 1xre n GLN 176 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.09 1xre n GLN 176 Cb 0.13 0.00 0.43 0.00 0.00 0.00 0.00 30.24 30.80 1xre n GLN 176 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1xre n ASN 177 N 2.99 0.00 -3.61 1.08 0.23 -1.26 -4.47 115.26 110.21 1xre n ASN 177 Ca 0.00 -0.04 -0.41 0.00 -0.53 0.00 0.00 54.58 53.60 1xre n ASN 177 Cb 0.00 -0.24 -0.00 0.00 -2.08 0.00 0.00 39.78 37.46 1xre n ASN 177 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1xre n ARG 178 N -1.24 4.29 -0.24 -3.83 1.74 -0.25 -4.77 116.66 112.36 1xre n ARG 178 Ca 0.09 -3.51 0.04 0.00 -0.77 0.00 0.00 57.85 53.70 1xre n ARG 178 Cb 0.12 -2.72 0.16 0.00 -1.02 0.00 0.00 32.46 29.00 1xre n ARG 178 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1xre h ARG 179 N 4.98 0.33 -0.57 5.56 2.43 -1.82 -2.08 114.38 123.20 1xre h ARG 179 Ca 0.59 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.77 1xre h ARG 179 Cb 0.41 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1xre h ARG 179 CO 1.52 0.22 0.38 -1.35 -1.51 0.00 0.00 179.97 179.23 1xre h PRO 180 N 0.34 0.67 -0.58 0.20 0.11 -1.98 -0.38 132.00 130.39 1xre h PRO 180 Ca 0.38 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.35 1xre h PRO 180 Cb 0.60 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1xre h PRO 180 CO -0.43 0.45 -0.04 1.49 -0.21 0.00 0.00 178.00 179.25 1xre h GLU 181 N 0.70 1.06 -0.19 1.05 4.81 -1.80 -0.82 114.58 119.38 1xre h GLU 181 Ca 0.23 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1xre h GLU 181 Cb 0.04 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1xre h GLU 181 CO -0.06 1.06 0.08 0.35 -0.73 0.00 0.00 179.01 179.71 1xre h PHE 182 N 0.95 0.15 -0.74 0.92 3.57 -0.94 -1.67 116.94 119.19 1xre h PHE 182 Ca 0.16 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1xre h PHE 182 Cb 0.61 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1xre h PHE 182 CO 0.04 0.08 0.46 0.28 -2.23 0.00 0.00 178.31 176.94 1xre h VAL 183 N 0.18 1.20 -0.68 1.41 2.07 -0.80 0.40 116.25 120.04 1xre h VAL 183 Ca 0.08 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1xre h VAL 183 Cb 0.03 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1xre h VAL 183 CO -0.06 0.20 0.44 0.74 0.02 0.00 0.00 177.57 178.91 1xre h THR 184 N 1.00 1.14 -0.54 2.57 2.02 -0.98 -2.49 112.91 115.63 1xre h THR 184 Ca 0.27 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 1xre h THR 184 Cb -0.06 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1xre h THR 184 CO -0.05 0.16 0.00 0.78 0.37 0.00 0.00 175.52 176.78 1xre h ASN 185 N 0.88 0.89 -0.57 4.18 2.35 -0.96 -3.25 115.58 119.10 1xre h ASN 185 Ca 0.26 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1xre h ASN 185 Cb -0.05 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1xre h ASN 185 CO -0.08 0.95 0.38 -0.25 -1.65 0.00 0.00 177.43 176.78 1xre h TRP 186 N 0.85 0.61 -0.13 1.19 7.01 -0.45 -1.43 115.95 123.60 1xre h TRP 186 Ca 0.16 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.21 1xre h TRP 186 Cb 0.50 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 1xre h TRP 186 CO 0.03 0.34 0.11 -1.49 -2.79 0.00 0.00 178.44 174.64 1xre h TRP 187 N 0.62 0.00 0.00 2.65 4.06 -1.57 -1.24 115.95 120.46 1xre h TRP 187 Ca 0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.19 1xre h TRP 187 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 1xre h TRP 187 CO -0.00 0.00 0.00 0.72 -3.56 0.00 0.00 178.44 175.60 1xre n HIS 188 N -4.20 0.18 0.87 0.49 8.25 -0.54 -2.84 115.22 117.45 1xre n HIS 188 Ca 0.00 0.08 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 1xre n HIS 188 Cb 0.23 -0.63 -0.11 0.00 1.12 0.00 0.00 29.99 30.60 1xre n HIS 188 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1xre n THR 189 N -1.67 0.00 -1.97 1.59 -2.24 -0.47 -2.94 114.28 106.58 1xre n THR 189 Ca 0.02 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1xre n THR 189 Cb 0.14 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1xre n THR 189 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xre s VAL 190 N -2.87 2.65 -0.94 2.28 1.01 -1.13 -0.56 120.40 120.85 1xre s VAL 190 Ca 0.07 0.50 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 1xre s VAL 190 Cb 0.15 -3.32 0.18 0.00 0.00 0.00 0.00 36.38 33.39 1xre s VAL 190 CO 0.80 0.06 1.02 0.21 0.00 0.00 0.00 175.10 177.18 1xre s ASN 191 N 0.82 6.80 0.43 3.32 3.84 0.71 -0.44 114.94 130.41 1xre s ASN 191 Ca 0.65 -2.55 0.23 0.00 0.21 0.00 0.00 52.86 51.40 1xre s ASN 191 Cb -0.43 -2.31 0.92 0.00 -0.55 0.00 0.00 41.25 38.88 1xre s ASN 191 CO 0.36 -0.76 1.83 -0.50 -2.79 0.00 0.00 177.10 175.24 1xre h TRP 192 N 8.04 0.00 -0.26 0.43 4.06 -1.88 -1.75 115.95 124.59 1xre h TRP 192 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 1xre h TRP 192 Cb 1.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1xre h TRP 192 CO 1.07 0.26 0.17 -0.44 -3.56 0.00 0.00 178.44 175.94 1xre h ASP 193 N 0.00 0.29 -0.38 -3.49 3.32 -1.93 -1.38 116.42 112.86 1xre h ASP 193 Ca -0.00 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1xre h ASP 193 Cb 0.73 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1xre h ASP 193 CO 0.03 0.21 -0.27 -0.09 -1.72 0.00 0.00 179.24 177.40 1xre h ARG 194 N 0.35 0.87 -0.60 3.56 9.65 -1.70 -2.37 114.38 124.13 1xre h ARG 194 Ca 0.09 -0.42 0.06 0.00 -1.10 0.00 0.00 59.98 58.62 1xre h ARG 194 Cb -0.04 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.48 1xre h ARG 194 CO -0.02 1.06 0.30 0.28 2.80 0.00 0.00 179.97 184.39 1xre h VAL 195 N 0.67 0.91 -0.75 0.20 2.07 -1.27 0.49 116.25 118.58 1xre h VAL 195 Ca 0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1xre h VAL 195 Cb 0.85 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1xre h VAL 195 CO 0.07 0.10 0.41 -1.13 0.02 0.00 0.00 177.57 177.04 1xre h ASN 196 N 0.55 0.93 -0.59 0.57 -0.00 -1.06 -0.75 115.58 115.23 1xre h ASN 196 Ca 0.28 -0.08 -0.05 0.00 -0.00 0.00 0.00 56.30 56.45 1xre h ASN 196 Cb 0.22 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.28 1xre h ASN 196 CO -0.21 0.75 0.16 -0.33 -0.00 0.00 0.00 177.43 177.81 1xre h GLU 197 N 1.05 0.92 -0.62 6.67 5.08 -0.80 -2.01 114.58 124.87 1xre h GLU 197 Ca 0.27 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1xre h GLU 197 Cb 0.03 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1xre h GLU 197 CO -0.04 0.84 0.28 0.87 -1.00 0.00 0.00 179.01 179.95 1xre h LYS 198 N 0.84 0.88 -0.13 2.33 1.79 -0.16 -1.93 116.57 120.19 1xre h LYS 198 Ca 0.19 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1xre h LYS 198 Cb 0.32 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1xre h LYS 198 CO -0.00 0.70 -0.05 -0.92 -1.08 0.00 0.00 179.45 178.10 1xre h TYR 199 N 0.88 0.30 -0.17 -1.35 3.20 -0.90 -0.21 116.97 118.72 1xre h TYR 199 Ca 0.21 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1xre h TYR 199 Cb 0.12 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1xre h TYR 199 CO 0.01 0.58 0.06 -0.07 -1.64 0.00 0.00 178.16 177.09 1xre h LEU 200 N -0.07 0.06 -0.54 2.82 3.38 -1.30 -1.58 115.31 118.08 1xre h LEU 200 Ca 0.03 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1xre h LEU 200 Cb 0.49 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1xre h LEU 200 CO 0.02 0.06 -0.05 -0.61 0.09 0.00 0.00 178.44 177.95 1xre h GLN 201 N 0.14 0.07 -0.71 1.13 4.15 -1.33 -2.45 115.11 116.11 1xre h GLN 201 Ca 0.07 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.56 1xre h GLN 201 Cb 0.05 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.66 1xre h GLN 201 CO -0.08 0.05 0.40 0.00 -1.93 0.00 0.00 178.83 177.26 1xre h ALA 202 N 1.50 0.96 -0.01 3.38 0.00 -0.12 -3.51 119.26 121.47 1xre h ALA 202 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1xre h ALA 202 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xre h ALA 202 CO -0.49 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.26