#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wex s HIS 19 N 0.00 -0.00 -1.15 1.43 0.09 -1.26 -5.06 115.29 109.35 2wex s HIS 19 Ca 0.00 -0.06 -0.06 0.00 -0.00 0.00 0.00 55.06 54.93 2wex s HIS 19 Cb 0.00 0.53 0.01 0.00 -0.00 0.00 0.00 32.58 33.12 2wex s HIS 19 CO 0.00 -0.16 1.00 -1.33 -0.00 0.00 0.00 174.74 174.25 2wex n MET 20 N -0.74 -6.69 0.00 1.40 0.00 -1.26 -4.89 117.12 104.94 2wex n MET 20 Ca -0.02 0.72 0.00 0.00 0.00 0.00 0.00 57.70 58.40 2wex n MET 20 Cb 0.61 -5.41 0.00 0.00 0.00 0.00 0.00 33.22 28.41 2wex n MET 20 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2wex n ASN 21 N -2.47 0.00 -4.84 7.83 0.23 -1.26 -5.10 115.26 109.66 2wex n ASN 21 Ca -0.04 -1.00 -0.21 0.00 -0.53 0.00 0.00 54.58 52.80 2wex n ASN 21 Cb 0.57 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.23 2wex n ASN 21 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 2wex s GLN 22 N 0.00 2.72 0.35 -3.83 -0.21 -1.26 -5.14 119.66 112.29 2wex s GLN 22 Ca 0.00 -1.28 0.07 0.00 0.02 0.00 0.00 55.36 54.17 2wex s GLN 22 Cb 0.00 -2.46 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 2wex s GLN 22 CO 0.00 0.14 0.46 0.00 -2.12 0.00 0.00 175.29 173.77 2wex n PRO 24 N -1.63 0.73 -1.72 0.00 -0.02 -1.26 -4.86 135.00 126.24 2wex n PRO 24 Ca 0.01 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 2wex n PRO 24 Cb 0.59 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.09 2wex n PRO 24 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wex n GLU 25 N -0.55 2.56 -3.39 -0.52 2.13 -1.26 -5.00 120.64 114.62 2wex n GLU 25 Ca 0.13 0.91 -0.03 0.00 0.66 0.00 0.00 57.16 58.83 2wex n GLU 25 Cb 0.47 -2.68 -0.05 0.00 0.27 0.00 0.00 31.44 29.45 2wex n GLU 25 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2wex s HIS 26 N 0.20 -1.17 -0.14 4.31 -3.43 -1.26 -4.98 115.29 108.82 2wex s HIS 26 Ca 0.67 1.52 -0.03 0.00 -0.80 0.00 0.00 55.06 56.42 2wex s HIS 26 Cb -0.53 0.39 -0.03 0.00 -1.43 0.00 0.00 32.58 30.98 2wex s HIS 26 CO 0.46 -0.72 -0.04 -1.12 -2.00 0.00 0.00 174.74 171.32 2wex s SER 27 N 2.72 4.84 0.42 7.38 0.01 -1.26 -5.00 113.70 122.81 2wex s SER 27 Ca 0.10 -0.08 -0.25 0.00 1.31 0.00 0.00 55.95 57.03 2wex s SER 27 Cb -0.14 -1.67 -0.08 0.00 0.21 0.00 0.00 66.02 64.34 2wex s SER 27 CO -0.17 0.22 1.17 -1.58 0.41 0.00 0.00 173.24 173.29 2wex s GLN 28 N 0.06 3.97 0.19 12.44 0.74 -1.26 0.04 119.66 135.85 2wex s GLN 28 Ca 0.00 1.83 -0.30 0.00 0.05 0.00 0.00 55.36 56.94 2wex s GLN 28 Cb -0.13 -2.61 -0.08 0.00 1.10 0.00 0.00 33.01 31.29 2wex s GLN 28 CO 0.03 -0.39 1.09 -0.51 -0.55 0.00 0.00 175.29 174.96 2wex s LEU 29 N -2.63 4.51 0.33 3.68 1.43 -0.74 -4.76 118.68 120.49 2wex s LEU 29 Ca 0.59 2.10 0.06 0.00 -1.03 0.00 0.00 54.13 55.85 2wex s LEU 29 Cb -0.30 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.24 2wex s LEU 29 CO 0.38 -0.18 -0.01 -0.89 0.23 0.00 0.00 176.35 175.88 2wex s THR 30 N -0.43 1.62 -0.30 5.49 2.01 -1.26 -4.52 115.64 118.25 2wex s THR 30 Ca 0.48 -2.06 -0.09 0.00 0.31 0.00 0.00 61.69 60.33 2wex s THR 30 Cb -0.29 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 2wex s THR 30 CO 0.35 -0.13 0.12 -0.89 -0.69 0.00 0.00 174.62 173.39 2wex s THR 31 N -3.01 4.42 0.00 -0.82 2.01 -1.26 -4.95 115.64 112.03 2wex s THR 31 Ca 0.33 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2wex s THR 31 Cb 0.07 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2wex s THR 31 CO 0.15 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 2wex n GLY 36 N 4.95 -1.30 0.00 4.40 0.00 -1.26 -5.11 105.19 106.87 2wex n GLY 36 Ca -0.14 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.26 2wex n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wex n LYS 37 N -1.22 0.74 0.25 1.61 4.76 -1.26 -1.72 118.16 121.33 2wex n LYS 37 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2wex n LYS 37 Cb 0.00 -1.06 0.58 0.00 -1.84 0.00 0.00 35.03 32.70 2wex n LYS 37 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2wex h GLU 38 N 0.00 0.00 -5.87 1.97 5.08 -1.99 -3.43 114.58 110.34 2wex h GLU 38 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2wex h GLU 38 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2wex h GLU 38 CO 0.00 0.12 -0.08 0.12 -1.00 0.00 0.00 179.01 178.17 2wex s PHE 39 N -3.70 3.57 -2.63 4.33 5.36 -0.70 -1.49 117.98 122.72 2wex s PHE 39 Ca 0.01 1.01 0.24 0.00 -0.96 0.00 0.00 56.93 57.23 2wex s PHE 39 Cb 0.10 -2.59 0.36 0.00 -0.34 0.00 0.00 43.02 40.55 2wex s PHE 39 CO 0.59 0.21 1.37 -0.35 -1.46 0.00 0.00 175.22 175.58 2wex n PRO 40 N 3.43 2.47 -0.03 10.12 -0.04 -1.26 -4.97 135.00 144.72 2wex n PRO 40 Ca -0.06 -2.21 0.21 0.00 -0.04 0.00 0.00 63.50 61.40 2wex n PRO 40 Cb 0.51 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.16 2wex n PRO 40 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2wex h GLU 41 N 4.58 0.02 0.00 0.54 4.11 -1.74 0.62 114.58 122.71 2wex h GLU 41 Ca 0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 2wex h GLU 41 Cb 1.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2wex h GLU 41 CO 0.00 0.01 -0.13 -0.24 0.07 0.00 0.00 179.01 178.72 2wex h VAL 42 N 0.02 0.49 -0.04 -1.06 3.04 -1.64 -2.93 116.25 114.12 2wex h VAL 42 Ca 0.28 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2wex h VAL 42 Cb 1.08 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 2wex h VAL 42 CO -0.01 0.13 0.00 1.41 -1.01 0.00 0.00 177.57 178.09 2wex n HIS 43 N -3.51 0.03 -1.53 3.17 8.25 0.22 -4.95 115.22 116.90 2wex n HIS 43 Ca -0.01 -0.02 -0.30 0.00 -0.26 0.00 0.00 57.72 57.13 2wex n HIS 43 Cb 0.28 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.48 2wex n HIS 43 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wex s LEU 44 N -1.96 2.57 0.00 2.41 1.43 -1.11 -4.84 118.68 117.18 2wex s LEU 44 Ca 0.33 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 2wex s LEU 44 Cb 0.20 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2wex s LEU 44 CO 0.31 -2.02 0.00 0.61 0.23 0.00 0.00 176.35 175.49 2wex n GLY 45 N -2.04 -1.17 3.91 -3.19 0.00 -1.01 -4.93 105.19 96.76 2wex n GLY 45 Ca 0.07 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 2wex n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wex s GLN 46 N 0.00 3.40 0.02 1.61 0.74 -1.26 -1.78 119.66 122.40 2wex s GLN 46 Ca 0.00 0.09 -0.27 0.00 0.05 0.00 0.00 55.36 55.23 2wex s GLN 46 Cb 0.00 -2.39 0.06 0.00 1.10 0.00 0.00 33.01 31.79 2wex s GLN 46 CO 0.00 -0.27 0.61 -1.58 -0.55 0.00 0.00 175.29 173.50 2wex s TRP 47 N -2.74 -0.56 -0.01 1.67 0.52 -0.76 -4.69 118.94 112.36 2wex s TRP 47 Ca 0.48 0.77 0.06 0.00 0.02 0.00 0.00 56.10 57.43 2wex s TRP 47 Cb -0.10 0.42 -0.02 0.00 -1.15 0.00 0.00 33.47 32.62 2wex s TRP 47 CO 0.44 -0.66 -0.19 0.71 0.02 0.00 0.00 176.95 177.27 2wex s TYR 48 N -2.04 1.71 -0.04 -1.98 2.02 0.08 -0.85 117.35 116.26 2wex s TYR 48 Ca -0.07 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 2wex s TYR 48 Cb -0.01 -1.09 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 2wex s TYR 48 CO 0.02 -0.02 0.98 0.12 -1.57 0.00 0.00 175.55 175.08 2wex s PHE 49 N -0.48 3.61 -0.13 2.71 5.36 -0.68 -1.53 117.98 126.83 2wex s PHE 49 Ca 0.07 1.65 -0.03 0.00 -0.96 0.00 0.00 56.93 57.66 2wex s PHE 49 Cb -0.07 -3.13 -0.07 0.00 -0.34 0.00 0.00 43.02 39.41 2wex s PHE 49 CO -0.00 -0.07 -0.15 -0.89 -1.46 0.00 0.00 175.22 172.64 2wex n ILE 50 N 4.10 0.75 -3.50 3.12 2.08 0.08 -4.58 119.36 121.41 2wex n ILE 50 Ca 0.07 -0.24 -0.12 0.00 0.56 0.00 0.00 62.75 63.02 2wex n ILE 50 Cb 0.50 -1.34 -0.04 0.00 -0.75 0.00 0.00 39.64 38.01 2wex n ILE 50 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wex s ALA 51 N -2.26 -1.77 0.07 -1.39 0.00 -1.20 -1.52 121.76 113.69 2wex s ALA 51 Ca -0.18 1.06 0.02 0.00 0.00 0.00 0.00 51.96 52.86 2wex s ALA 51 Cb 0.06 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2wex s ALA 51 CO 0.27 -0.56 -0.08 0.20 0.00 0.00 0.00 175.76 175.59 2wex s GLY 52 N -1.97 0.66 -0.00 0.00 0.00 -0.08 -0.73 107.32 105.20 2wex s GLY 52 Ca -0.01 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 2wex s GLY 52 CO -0.03 -1.09 0.02 0.00 0.00 0.00 0.00 173.10 172.00 2wex s ALA 53 N -2.20 -0.04 0.16 3.20 0.00 0.80 -0.81 121.76 122.87 2wex s ALA 53 Ca -0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.64 2wex s ALA 53 Cb -0.04 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.14 2wex s ALA 53 CO -0.01 -0.08 0.50 0.00 0.00 0.00 0.00 175.76 176.17 2wex s ALA 54 N -0.56 -1.07 0.33 0.00 0.00 -0.22 0.57 121.76 120.80 2wex s ALA 54 Ca -0.06 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 51.94 2wex s ALA 54 Cb -0.04 0.80 0.73 0.00 0.00 0.00 0.00 23.12 24.61 2wex s ALA 54 CO -0.00 -0.74 1.85 -1.35 0.00 0.00 0.00 175.76 175.51 2wex h PRO 55 N 2.21 0.77 -4.66 0.00 0.11 -1.75 -2.25 132.00 126.44 2wex h PRO 55 Ca -0.32 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.50 2wex h PRO 55 Cb 1.27 -0.17 -0.17 0.00 0.11 0.00 0.00 31.00 32.04 2wex h PRO 55 CO 0.41 0.51 -0.71 0.95 -0.21 0.00 0.00 178.00 178.95 2wex s THR 56 N -5.78 0.67 0.47 -1.15 -4.23 -1.26 -4.31 115.64 100.05 2wex s THR 56 Ca -0.11 -1.69 0.24 0.00 -1.18 0.00 0.00 61.69 58.96 2wex s THR 56 Cb 0.22 -1.38 0.43 0.00 1.34 0.00 0.00 72.50 73.12 2wex s THR 56 CO 0.80 -0.72 1.86 0.11 -0.54 0.00 0.00 174.62 176.13 2wex h LYS 57 N 3.42 0.21 0.00 3.99 1.57 -1.91 -2.47 116.57 121.37 2wex h LYS 57 Ca -0.36 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2wex h LYS 57 Cb 1.18 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2wex h LYS 57 CO 0.57 0.14 0.00 0.93 -0.57 0.00 0.00 179.45 180.53 2wex h GLU 58 N 0.22 0.00 0.00 3.15 3.07 -1.97 0.13 114.58 119.18 2wex h GLU 58 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 2wex h GLU 58 Cb 1.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 2wex h GLU 58 CO -0.11 0.00 -0.34 0.39 -1.40 0.00 0.00 179.01 177.55 2wex n GLU 59 N -2.95 0.13 0.00 2.33 1.02 -0.93 -3.69 120.64 116.55 2wex n GLU 59 Ca -0.00 0.06 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 2wex n GLU 59 Cb 0.22 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 2wex n GLU 59 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wex n LEU 60 N -1.80 1.45 -0.35 -4.62 4.77 0.31 -4.64 117.00 112.11 2wex n LEU 60 Ca 0.05 -0.70 0.16 0.00 -0.03 0.00 0.00 56.01 55.49 2wex n LEU 60 Cb 0.38 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.84 2wex n LEU 60 CO 0.33 0.29 1.17 0.00 -1.33 0.00 0.00 177.39 177.85 2wex h ALA 61 N 2.75 1.76 -0.06 -1.18 0.00 -1.21 -0.64 119.26 120.68 2wex h ALA 61 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2wex h ALA 61 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wex h ALA 61 CO 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 179.25 179.13 2wex h THR 62 N 0.64 0.35 -0.02 0.00 1.03 -1.83 -2.37 112.91 110.71 2wex h THR 62 Ca 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 67.02 2wex h THR 62 Cb 1.13 0.92 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 2wex h THR 62 CO -0.44 0.00 -0.17 0.49 -0.01 0.00 0.00 175.52 175.38 2wex n PHE 63 N -3.58 0.00 -0.29 0.00 3.72 -0.25 -4.51 117.46 112.55 2wex n PHE 63 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2wex n PHE 63 Cb 0.18 -0.03 0.13 0.00 -0.94 0.00 0.00 39.48 38.82 2wex n PHE 63 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2wex h ASP 64 N 2.82 0.76 -0.23 4.37 3.32 -1.50 -2.68 116.42 123.28 2wex h ASP 64 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2wex h ASP 64 Cb 0.71 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2wex h ASP 64 CO 0.00 0.49 0.00 -0.81 -1.72 0.00 0.00 179.24 177.20 2wex n PRO 65 N -4.67 1.95 -3.60 3.56 -0.04 -1.26 -4.91 135.00 126.04 2wex n PRO 65 Ca 0.11 -1.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.22 2wex n PRO 65 Cb 0.18 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.09 2wex n PRO 65 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wex s VAL 66 N -1.63 5.34 -0.16 0.52 1.01 -1.01 0.17 120.40 124.63 2wex s VAL 66 Ca 0.18 0.42 -0.22 0.00 0.00 0.00 0.00 61.98 62.36 2wex s VAL 66 Cb 0.11 -3.58 -0.23 0.00 0.00 0.00 0.00 36.38 32.68 2wex s VAL 66 CO 0.09 0.39 0.46 -0.78 0.00 0.00 0.00 175.10 175.26 2wex h ASP 67 N 6.77 0.12 -5.01 3.32 3.58 -0.64 -3.41 116.42 121.16 2wex h ASP 67 Ca -0.41 -0.74 -0.03 0.00 0.42 0.00 0.00 57.03 56.27 2wex h ASP 67 Cb 1.16 -0.04 -0.14 0.00 1.72 0.00 0.00 39.33 42.03 2wex h ASP 67 CO 0.75 1.41 0.17 0.54 -2.88 0.00 0.00 179.24 179.23 2wex s ASN 68 N -6.75 -0.55 -0.07 2.28 2.20 -0.91 -1.22 114.94 109.92 2wex s ASN 68 Ca -0.24 0.15 0.01 0.00 -0.94 0.00 0.00 52.86 51.84 2wex s ASN 68 Cb 0.03 0.57 0.02 0.00 -2.00 0.00 0.00 41.25 39.87 2wex s ASN 68 CO 0.67 -0.86 -0.07 -0.63 -2.94 0.00 0.00 177.10 173.27 2wex s ILE 69 N -3.07 0.79 -0.00 0.54 1.01 -1.26 -0.18 121.20 119.02 2wex s ILE 69 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2wex s ILE 69 Cb -0.01 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2wex s ILE 69 CO -0.07 0.29 0.00 0.54 0.00 0.00 0.00 174.94 175.71 2wex s VAL 70 N 1.08 4.17 0.08 2.92 0.11 -1.04 -1.69 120.40 126.03 2wex s VAL 70 Ca -0.08 -0.59 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 2wex s VAL 70 Cb -0.14 -2.86 -0.03 0.00 -1.53 0.00 0.00 36.38 31.82 2wex s VAL 70 CO -0.01 0.38 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.64 2wex s PHE 71 N -1.09 1.23 -0.08 1.54 0.08 -0.03 -1.51 117.98 118.13 2wex s PHE 71 Ca 0.19 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.76 2wex s PHE 71 Cb -0.12 -0.68 0.02 0.00 -0.57 0.00 0.00 43.02 41.67 2wex s PHE 71 CO 0.10 0.07 -0.06 1.21 -0.10 0.00 0.00 175.22 176.43 2wex s ASN 72 N -1.91 1.70 -0.15 1.36 2.47 0.11 -1.83 114.94 116.68 2wex s ASN 72 Ca 0.00 -0.22 -0.14 0.00 0.42 0.00 0.00 52.86 52.93 2wex s ASN 72 Cb -0.09 -0.67 -0.05 0.00 -1.45 0.00 0.00 41.25 39.00 2wex s ASN 72 CO 0.02 -0.09 0.30 -0.32 -3.72 0.00 0.00 177.10 173.29 2wex s MET 73 N 1.35 4.22 0.11 0.43 -2.45 -0.73 -1.00 119.30 121.23 2wex s MET 73 Ca -0.03 0.11 0.03 0.00 -1.25 0.00 0.00 55.69 54.55 2wex s MET 73 Cb -0.14 -3.41 -0.04 0.00 1.25 0.00 0.00 34.83 32.49 2wex s MET 73 CO -0.03 0.27 -0.09 0.00 1.05 0.00 0.00 175.02 176.21 2wex s ALA 74 N 0.38 1.16 0.27 4.11 0.00 0.18 -2.40 121.76 125.45 2wex s ALA 74 Ca 0.17 -1.28 -0.31 0.00 0.00 0.00 0.00 51.96 50.55 2wex s ALA 74 Cb -0.13 0.06 -0.12 0.00 0.00 0.00 0.00 23.12 22.92 2wex s ALA 74 CO 0.04 -0.08 1.55 0.00 0.00 0.00 0.00 175.76 177.27 2wex n ALA 75 N 0.31 2.13 -1.00 0.00 0.00 -1.26 0.64 120.51 121.32 2wex n ALA 75 Ca -0.14 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2wex n ALA 75 Cb 0.59 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2wex n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wex n GLY 76 N 2.31 -2.34 0.16 0.00 0.00 0.12 -4.43 105.19 101.01 2wex n GLY 76 Ca 0.10 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.54 2wex n GLY 76 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wex n SER 77 N -1.37 2.15 -1.97 1.61 7.64 -1.26 -4.94 113.62 115.49 2wex n SER 77 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2wex n SER 77 Cb 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2wex n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wex n ALA 78 N -3.36 0.00 0.07 -0.43 0.00 -1.26 -5.08 120.51 110.45 2wex n ALA 78 Ca -0.39 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 2wex n ALA 78 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.31 2wex n ALA 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wex h PRO 79 N 0.00 -0.20 -2.44 0.00 0.11 -2.02 -3.37 132.00 124.07 2wex h PRO 79 Ca 0.00 0.01 -0.76 0.00 0.11 0.00 0.00 66.00 65.36 2wex h PRO 79 Cb 0.00 0.04 -0.19 0.00 0.11 0.00 0.00 31.00 30.97 2wex h PRO 79 CO 0.00 -0.13 1.79 -1.33 -0.21 0.00 0.00 178.00 178.11 2wex n MET 80 N -2.93 4.87 -3.99 1.05 2.81 -1.26 -4.91 117.12 112.76 2wex n MET 80 Ca -0.03 -3.93 -0.13 0.00 -1.81 0.00 0.00 57.70 51.80 2wex n MET 80 Cb 0.08 -2.55 -0.13 0.00 -0.71 0.00 0.00 33.22 29.91 2wex n MET 80 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2wex s GLN 81 N -2.52 0.23 -0.04 0.03 -0.21 -1.26 -2.03 119.66 113.85 2wex s GLN 81 Ca 0.48 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.65 2wex s GLN 81 Cb 0.20 -0.14 0.02 0.00 1.00 0.00 0.00 33.01 34.09 2wex s GLN 81 CO -0.12 0.03 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.50 2wex s LEU 82 N -0.43 1.51 -0.34 2.90 1.43 -0.22 0.13 118.68 123.67 2wex s LEU 82 Ca -0.03 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 52.69 2wex s LEU 82 Cb -0.03 -0.54 -0.00 0.00 0.03 0.00 0.00 46.19 45.64 2wex s LEU 82 CO -0.00 -0.01 0.62 -1.00 0.23 0.00 0.00 176.35 176.19 2wex s HIS 83 N 0.68 3.17 -0.21 0.29 3.76 0.21 -1.14 115.29 122.05 2wex s HIS 83 Ca -0.11 0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 55.08 2wex s HIS 83 Cb -0.13 -3.07 -0.05 0.00 1.11 0.00 0.00 32.58 30.44 2wex s HIS 83 CO 0.01 -0.57 0.25 -1.17 -0.85 0.00 0.00 174.74 172.41 2wex s LEU 84 N 2.65 4.16 0.12 0.89 2.96 -0.43 0.47 118.68 129.50 2wex s LEU 84 Ca 0.24 0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.55 2wex s LEU 84 Cb -0.15 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 2wex s LEU 84 CO 0.14 0.04 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.92 2wex s ARG 85 N 0.97 1.88 0.03 1.98 0.52 -0.17 -1.14 118.95 123.01 2wex s ARG 85 Ca 0.13 -1.17 -0.07 0.00 -0.52 0.00 0.00 55.73 54.10 2wex s ARG 85 Cb -0.14 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 2wex s ARG 85 CO 0.05 0.48 0.12 0.00 0.02 0.00 0.00 175.30 175.97 2wex s ALA 86 N -1.25 -0.18 -0.10 2.13 0.00 -0.49 -0.71 121.76 121.15 2wex s ALA 86 Ca 0.20 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2wex s ALA 86 Cb -0.10 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2wex s ALA 86 CO 0.11 -0.30 -0.10 0.99 0.00 0.00 0.00 175.76 176.46 2wex s THR 87 N -2.28 1.16 -0.19 0.00 2.01 -0.57 -1.44 115.64 114.33 2wex s THR 87 Ca -0.08 -0.41 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 2wex s THR 87 Cb -0.03 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 2wex s THR 87 CO -0.03 0.38 0.57 -0.63 -0.69 0.00 0.00 174.62 174.23 2wex s ILE 88 N 1.31 5.07 -0.40 1.82 1.01 0.06 -2.50 121.20 127.58 2wex s ILE 88 Ca -0.02 1.08 -0.21 0.00 0.00 0.00 0.00 60.65 61.50 2wex s ILE 88 Cb -0.14 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.45 2wex s ILE 88 CO -0.04 0.16 0.65 -0.60 0.00 0.00 0.00 174.94 175.11 2wex s ARG 89 N 1.65 3.49 0.65 2.79 6.06 0.74 -1.35 118.95 132.98 2wex s ARG 89 Ca 0.27 -0.13 -0.12 0.00 -2.50 0.00 0.00 55.73 53.25 2wex s ARG 89 Cb -0.16 -3.88 -0.02 0.00 0.06 0.00 0.00 34.95 30.96 2wex s ARG 89 CO 0.10 -0.88 1.05 -1.64 -2.50 0.00 0.00 175.30 171.43 2wex s MET 90 N 2.81 3.21 0.55 5.12 -1.94 0.53 0.00 119.30 129.58 2wex s MET 90 Ca 0.24 0.95 0.24 0.00 -1.71 0.00 0.00 55.69 55.42 2wex s MET 90 Cb -0.14 -2.03 1.55 0.00 2.01 0.00 0.00 34.83 36.22 2wex s MET 90 CO 0.17 -0.88 2.17 0.87 -0.01 0.00 0.00 175.02 177.35 2wex h LYS 91 N -0.32 0.00 -0.00 2.03 1.57 -0.56 -0.83 116.57 118.46 2wex h LYS 91 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2wex h LYS 91 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2wex h LYS 91 CO 0.58 0.04 -0.05 -0.40 -0.57 0.00 0.00 179.45 179.06 2wex n ASP 92 N -4.03 0.16 0.00 0.86 3.85 -1.26 -4.90 116.55 111.23 2wex n ASP 92 Ca -0.03 -0.30 0.00 0.00 -0.71 0.00 0.00 54.79 53.76 2wex n ASP 92 Cb 0.13 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 39.69 2wex n ASP 92 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wex n GLY 93 N 1.28 0.64 3.80 6.12 0.00 -0.32 -5.07 105.19 111.65 2wex n GLY 93 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2wex n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wex s LEU 94 N 0.00 3.28 -0.12 0.99 1.43 -1.26 -4.71 118.68 118.29 2wex s LEU 94 Ca 0.00 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 2wex s LEU 94 Cb 0.00 -4.52 -0.00 0.00 0.03 0.00 0.00 46.19 41.70 2wex s LEU 94 CO 0.00 -1.46 -0.20 0.00 0.23 0.00 0.00 176.35 174.93 2wex s VAL 96 N 0.48 1.73 0.35 0.00 1.01 -0.46 -4.94 120.40 118.57 2wex s VAL 96 Ca -0.13 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 2wex s VAL 96 Cb -0.17 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 2wex s VAL 96 CO 0.05 0.25 0.96 -2.16 0.00 0.00 0.00 175.10 174.20 2wex s PRO 97 N 1.37 4.46 0.03 2.72 0.04 -1.26 -0.76 135.00 141.61 2wex s PRO 97 Ca 0.00 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 2wex s PRO 97 Cb -0.15 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.73 2wex s PRO 97 CO -0.09 0.17 -0.01 1.03 0.04 0.00 0.00 177.00 178.14 2wex s ARG 98 N -2.35 0.42 -0.06 4.56 1.81 -0.52 -4.98 118.95 117.83 2wex s ARG 98 Ca 0.54 -0.77 -0.04 0.00 -1.72 0.00 0.00 55.73 53.74 2wex s ARG 98 Cb -0.17 0.15 0.03 0.00 -0.45 0.00 0.00 34.95 34.51 2wex s ARG 98 CO 0.22 -0.08 0.13 0.21 -0.68 0.00 0.00 175.30 175.10 2wex s LYS 99 N -2.19 0.12 0.06 3.54 2.20 -1.26 -1.40 119.74 120.81 2wex s LYS 99 Ca -0.09 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 2wex s LYS 99 Cb -0.04 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 2wex s LYS 99 CO -0.04 -0.09 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.24 2wex s TRP 100 N 0.63 0.58 -0.13 4.03 0.52 -0.29 -5.02 118.94 119.25 2wex s TRP 100 Ca -0.05 -0.90 0.01 0.00 0.02 0.00 0.00 56.10 55.18 2wex s TRP 100 Cb -0.06 -0.39 -0.00 0.00 -1.15 0.00 0.00 33.47 31.86 2wex s TRP 100 CO -0.03 -0.27 -0.17 0.42 0.02 0.00 0.00 176.95 176.92 2wex s ILE 101 N -3.26 2.58 0.12 2.03 1.01 -1.26 -1.31 121.20 121.11 2wex s ILE 101 Ca 0.03 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2wex s ILE 101 Cb 0.03 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2wex s ILE 101 CO -0.06 0.53 0.02 -0.31 0.00 0.00 0.00 174.94 175.11 2wex s TYR 102 N 0.56 2.96 -0.26 3.97 2.02 -0.29 -4.63 117.35 121.68 2wex s TYR 102 Ca -0.10 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 2wex s TYR 102 Cb -0.16 -1.49 0.06 0.00 -0.40 0.00 0.00 41.96 39.97 2wex s TYR 102 CO 0.04 0.49 -0.10 -1.01 -1.57 0.00 0.00 175.55 173.40 2wex s HIS 103 N -1.48 3.28 0.63 2.71 3.76 -0.55 -1.05 115.29 122.58 2wex s HIS 103 Ca 0.27 -2.33 -0.15 0.00 -0.15 0.00 0.00 55.06 52.69 2wex s HIS 103 Cb -0.11 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 2wex s HIS 103 CO 0.19 -0.88 1.09 -0.51 -0.85 0.00 0.00 174.74 173.78 2wex s LEU 104 N 1.10 3.45 -0.07 0.89 1.43 -0.86 -2.74 118.68 121.88 2wex s LEU 104 Ca -0.09 1.92 0.05 0.00 -1.03 0.00 0.00 54.13 54.98 2wex s LEU 104 Cb -0.20 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.46 2wex s LEU 104 CO -0.05 -1.40 -0.22 -0.89 0.23 0.00 0.00 176.35 174.02 2wex s THR 105 N -2.38 2.33 0.45 5.49 2.01 -1.26 -4.87 115.64 117.40 2wex s THR 105 Ca 0.66 -0.96 -0.24 0.00 0.31 0.00 0.00 61.69 61.45 2wex s THR 105 Cb -0.19 -1.88 -0.07 0.00 0.01 0.00 0.00 72.50 70.37 2wex s THR 105 CO 0.39 0.57 1.26 -1.83 -0.69 0.00 0.00 174.62 174.32 2wex s GLU 106 N -0.14 3.75 0.00 4.92 -1.05 -1.26 -1.46 118.70 123.46 2wex s GLU 106 Ca -0.04 2.03 0.00 0.00 -0.15 0.00 0.00 54.97 56.82 2wex s GLU 106 Cb -0.14 -2.55 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 2wex s GLU 106 CO 0.04 -0.64 0.00 0.41 0.95 0.00 0.00 175.26 176.02 2wex n GLY 107 N 0.61 3.02 3.50 -3.83 0.00 -1.26 -5.01 105.19 102.22 2wex n GLY 107 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2wex n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wex s SER 108 N -0.65 3.97 0.00 1.61 0.15 -0.54 -4.21 113.70 114.03 2wex s SER 108 Ca 0.00 -0.50 0.23 0.00 0.70 0.00 0.00 55.95 56.37 2wex s SER 108 Cb 0.00 -0.61 0.07 0.00 -1.71 0.00 0.00 66.02 63.77 2wex s SER 108 CO 0.00 0.19 1.12 0.35 1.20 0.00 0.00 173.24 176.11 2wex n THR 109 N 0.90 0.00 -1.73 6.45 -2.24 -1.26 -4.39 114.28 112.01 2wex n THR 109 Ca -0.15 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 2wex n THR 109 Cb 0.53 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 2wex n THR 109 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wex n ASP 110 N -0.61 3.34 -4.64 3.42 8.00 -1.26 -4.56 116.55 120.25 2wex n ASP 110 Ca 0.08 1.19 -0.36 0.00 0.71 0.00 0.00 54.79 56.40 2wex n ASP 110 Cb 0.41 -1.54 -0.10 0.00 -0.02 0.00 0.00 41.12 39.87 2wex n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wex s LEU 111 N -0.98 4.03 -0.18 0.64 1.43 -0.47 -4.28 118.68 118.87 2wex s LEU 111 Ca 0.59 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.69 2wex s LEU 111 Cb -0.54 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2wex s LEU 111 CO 0.57 0.08 0.13 -0.13 0.23 0.00 0.00 176.35 177.22 2wex s ARG 112 N 0.99 3.97 -0.08 1.70 1.81 -1.11 -2.01 118.95 124.23 2wex s ARG 112 Ca 0.07 -0.21 -0.04 0.00 -1.72 0.00 0.00 55.73 53.83 2wex s ARG 112 Cb -0.13 -3.34 -0.02 0.00 -0.45 0.00 0.00 34.95 31.00 2wex s ARG 112 CO 0.04 0.43 0.18 0.00 -0.68 0.00 0.00 175.30 175.26 2wex h THR 113 N 4.50 0.00 -1.98 0.02 1.03 -1.90 -1.47 112.91 113.11 2wex h THR 113 Ca -0.44 -0.85 0.01 0.00 -0.01 0.00 0.00 66.41 65.12 2wex h THR 113 Cb 1.17 0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.25 2wex h THR 113 CO 0.71 0.00 -0.53 1.15 -0.01 0.00 0.00 175.52 176.84 2wex n MET 119 N -4.77 -2.17 -3.74 0.00 0.00 -1.26 -4.92 117.12 100.26 2wex n MET 119 Ca -0.02 1.69 -0.13 0.00 0.00 0.00 0.00 57.70 59.24 2wex n MET 119 Cb 0.06 -2.13 -0.10 0.00 0.00 0.00 0.00 33.22 31.05 2wex n MET 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2wex s LYS 120 N -4.70 0.51 -0.21 3.17 -2.85 -0.97 -5.00 119.74 109.68 2wex s LYS 120 Ca 0.00 0.38 -0.06 0.00 -1.00 0.00 0.00 55.97 55.29 2wex s LYS 120 Cb 0.00 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 2wex s LYS 120 CO 0.00 -0.09 0.04 0.99 0.10 0.00 0.00 175.35 176.39 2wex s THR 121 N -0.14 4.25 -0.09 3.79 2.01 -0.85 -1.32 115.64 123.29 2wex s THR 121 Ca -0.03 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 61.67 2wex s THR 121 Cb -0.03 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 2wex s THR 121 CO 0.02 0.40 0.22 -1.61 -0.69 0.00 0.00 174.62 172.96 2wex s GLU 122 N 1.10 3.60 -0.07 4.92 0.41 -0.31 -1.37 118.70 126.98 2wex s GLU 122 Ca 0.03 0.03 -0.05 0.00 -0.41 0.00 0.00 54.97 54.58 2wex s GLU 122 Cb -0.14 -3.21 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 2wex s GLU 122 CO 0.02 0.74 0.13 -0.51 -0.49 0.00 0.00 175.26 175.16 2wex s LEU 123 N -1.00 4.26 0.05 1.80 1.43 -1.26 -1.24 118.68 122.72 2wex s LEU 123 Ca 0.17 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 2wex s LEU 123 Cb -0.13 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 2wex s LEU 123 CO 0.07 0.35 -0.11 -0.36 0.23 0.00 0.00 176.35 176.53 2wex s PHE 124 N -1.11 0.96 0.82 0.29 0.08 0.25 -1.79 117.98 117.47 2wex s PHE 124 Ca 0.19 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 56.67 2wex s PHE 124 Cb -0.12 -0.55 0.09 0.00 -0.57 0.00 0.00 43.02 41.86 2wex s PHE 124 CO 0.09 -0.01 1.09 -1.54 -0.10 0.00 0.00 175.22 174.75 2wex s SER 125 N -1.57 4.07 0.07 1.36 1.04 0.11 -1.79 113.70 116.98 2wex s SER 125 Ca -0.05 1.73 0.06 0.00 0.48 0.00 0.00 55.95 58.17 2wex s SER 125 Cb -0.10 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2wex s SER 125 CO 0.01 -2.30 -0.17 -0.55 0.98 0.00 0.00 173.24 171.22 2wex s SER 126 N -3.36 1.98 0.57 7.02 0.15 -1.26 -4.56 113.70 114.24 2wex s SER 126 Ca 0.62 -0.58 0.30 0.00 0.70 0.00 0.00 55.95 56.99 2wex s SER 126 Cb -0.18 -0.10 1.72 0.00 -1.71 0.00 0.00 66.02 65.74 2wex s SER 126 CO 0.56 0.01 2.19 0.77 1.20 0.00 0.00 173.24 177.98 2wex h SER 127 N 4.47 0.00 -3.43 5.45 4.64 -1.93 -3.44 113.55 119.31 2wex h SER 127 Ca -0.42 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.36 2wex h SER 127 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 2wex h SER 127 CO 0.41 0.05 0.19 0.00 -0.87 0.00 0.00 176.83 176.61 2wex s PRO 129 N 0.17 3.46 -0.53 0.00 0.02 -1.26 -1.46 135.00 135.39 2wex s PRO 129 Ca 0.40 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.76 2wex s PRO 129 Cb -0.20 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.83 2wex s PRO 129 CO 0.23 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 2wex n GLY 130 N 0.64 0.71 3.87 0.52 0.00 -1.26 -4.86 105.19 104.81 2wex n GLY 130 Ca 0.07 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 2wex n GLY 130 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wex s GLY 131 N -2.45 1.46 -0.12 -0.02 0.00 -0.53 -1.00 107.32 104.67 2wex s GLY 131 Ca 0.00 -1.44 -0.25 0.00 0.00 0.00 0.00 44.72 43.04 2wex s GLY 131 CO 0.00 -1.44 0.60 -1.50 0.00 0.00 0.00 173.10 170.76 2wex s ILE 132 N -2.14 0.01 -0.03 0.90 2.07 -0.37 -4.46 121.20 117.17 2wex s ILE 132 Ca 0.36 -0.07 0.06 0.00 -1.41 0.00 0.00 60.65 59.59 2wex s ILE 132 Cb -0.08 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.61 2wex s ILE 132 CO 0.27 -0.04 -0.23 -0.32 -1.91 0.00 0.00 174.94 172.71 2wex s MET 133 N -0.61 2.06 0.09 3.50 -2.45 -0.74 -1.05 119.30 120.11 2wex s MET 133 Ca -0.07 -0.81 0.05 0.00 -1.25 0.00 0.00 55.69 53.62 2wex s MET 133 Cb -0.03 -1.87 -0.04 0.00 1.25 0.00 0.00 34.83 34.15 2wex s MET 133 CO 0.05 0.41 -0.03 -0.51 1.05 0.00 0.00 175.02 175.99 2wex s LEU 134 N -0.31 3.33 -0.21 4.11 1.02 0.78 -0.58 118.68 126.81 2wex s LEU 134 Ca 0.03 -0.24 0.02 0.00 0.02 0.00 0.00 54.13 53.95 2wex s LEU 134 Cb -0.11 -2.07 0.04 0.00 0.02 0.00 0.00 46.19 44.07 2wex s LEU 134 CO 0.01 0.18 -0.13 0.21 0.02 0.00 0.00 176.35 176.64 2wex s ASN 135 N -2.26 3.67 -0.23 2.29 2.47 -0.37 -1.50 114.94 119.01 2wex s ASN 135 Ca 0.24 -1.00 -0.13 0.00 0.42 0.00 0.00 52.86 52.40 2wex s ASN 135 Cb -0.11 -1.38 -0.05 0.00 -1.45 0.00 0.00 41.25 38.26 2wex s ASN 135 CO 0.17 -0.13 0.26 -1.61 -3.72 0.00 0.00 177.10 172.07 2wex s GLU 136 N 1.28 4.11 0.01 0.43 2.02 -0.18 -1.16 118.70 125.21 2wex s GLU 136 Ca -0.02 -0.08 0.05 0.00 0.02 0.00 0.00 54.97 54.94 2wex s GLU 136 Cb -0.17 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 2wex s GLU 136 CO -0.08 0.01 -0.15 0.99 0.02 0.00 0.00 175.26 176.04 2wex s THR 137 N 1.20 2.98 0.07 3.63 2.01 -0.44 -2.19 115.64 122.91 2wex s THR 137 Ca 0.12 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 2wex s THR 137 Cb -0.14 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.18 2wex s THR 137 CO 0.06 0.43 0.52 0.61 -0.69 0.00 0.00 174.62 175.55 2wex n GLY 138 N 1.80 0.88 3.56 4.40 0.00 -1.00 -2.29 105.19 112.53 2wex n GLY 138 Ca -0.16 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 2wex n GLY 138 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wex n GLN 139 N -0.37 1.19 -2.58 1.61 1.13 -1.26 -2.85 117.38 114.24 2wex n GLN 139 Ca -0.01 0.09 -0.18 0.00 -1.94 0.00 0.00 57.00 54.96 2wex n GLN 139 Cb 0.29 -3.38 -0.00 0.00 0.11 0.00 0.00 30.24 27.25 2wex n GLN 139 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wex n GLY 140 N 5.98 -0.50 3.28 1.08 0.00 -1.26 -4.97 105.19 108.80 2wex n GLY 140 Ca 0.36 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 2wex n GLY 140 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wex s TYR 141 N -2.90 -0.14 -0.13 1.61 -0.85 -1.13 -5.15 117.35 108.65 2wex s TYR 141 Ca 0.08 -0.06 -0.29 0.00 -0.52 0.00 0.00 57.07 56.28 2wex s TYR 141 Cb -0.04 0.15 0.08 0.00 0.38 0.00 0.00 41.96 42.53 2wex s TYR 141 CO 0.09 -0.57 0.77 -1.14 -1.52 0.00 0.00 175.55 173.18 2wex s GLN 142 N -3.00 0.89 -0.08 -3.49 0.74 -1.26 -2.37 119.66 111.08 2wex s GLN 142 Ca -0.02 0.42 -0.30 0.00 0.05 0.00 0.00 55.36 55.52 2wex s GLN 142 Cb 0.01 0.42 0.11 0.00 1.10 0.00 0.00 33.01 34.64 2wex s GLN 142 CO -0.06 -0.23 0.88 -0.98 -0.55 0.00 0.00 175.29 174.34 2wex s ARG 143 N -0.73 0.79 -0.04 1.67 1.70 -0.93 -4.21 118.95 117.19 2wex s ARG 143 Ca -0.06 0.03 0.01 0.00 -0.47 0.00 0.00 55.73 55.24 2wex s ARG 143 Cb -0.02 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 2wex s ARG 143 CO 0.05 -0.28 -0.06 -0.06 -1.08 0.00 0.00 175.30 173.88 2wex s PHE 144 N -1.76 2.95 -0.04 5.89 0.08 0.19 -1.01 117.98 124.28 2wex s PHE 144 Ca -0.02 0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 2wex s PHE 144 Cb -0.01 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 2wex s PHE 144 CO 0.00 0.37 0.07 -0.51 -0.10 0.00 0.00 175.22 175.05 2wex s LEU 145 N -1.06 0.49 -0.19 -0.37 1.43 -0.56 -0.14 118.68 118.27 2wex s LEU 145 Ca 0.14 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 2wex s LEU 145 Cb -0.11 -0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.04 2wex s LEU 145 CO 0.04 -0.20 0.16 -0.22 0.23 0.00 0.00 176.35 176.36 2wex s LEU 146 N 1.71 4.22 0.16 1.79 2.96 0.09 -0.15 118.68 129.47 2wex s LEU 146 Ca -0.01 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.25 2wex s LEU 146 Cb -0.12 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 2wex s LEU 146 CO -0.04 0.17 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.71 2wex s TYR 147 N 0.36 1.56 0.03 5.38 2.02 -0.22 -0.74 117.35 125.74 2wex s TYR 147 Ca 0.10 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 56.11 2wex s TYR 147 Cb -0.11 -0.77 0.01 0.00 -0.40 0.00 0.00 41.96 40.69 2wex s TYR 147 CO -0.01 0.24 0.23 1.21 -1.57 0.00 0.00 175.55 175.65 2wex s ASN 148 N -2.92 -0.03 0.21 2.29 3.84 -0.58 -1.23 114.94 116.52 2wex s ASN 148 Ca 0.16 -0.25 -0.08 0.00 0.21 0.00 0.00 52.86 52.90 2wex s ASN 148 Cb -0.02 0.30 0.16 0.00 -0.55 0.00 0.00 41.25 41.13 2wex s ASN 148 CO 0.05 -0.53 1.80 0.03 -2.79 0.00 0.00 177.10 175.66 2wex h ARG 149 N 3.55 1.15 -6.40 0.43 2.47 -1.34 0.26 114.38 114.51 2wex h ARG 149 Ca -0.32 -0.17 -0.54 0.00 -1.26 0.00 0.00 59.98 57.69 2wex h ARG 149 Cb 1.19 -0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 29.27 2wex h ARG 149 CO 0.46 0.90 0.10 0.45 0.56 0.00 0.00 179.97 182.43 2wex s SER 150 N -6.24 7.26 0.38 7.04 0.15 -1.26 -4.65 113.70 116.38 2wex s SER 150 Ca -0.13 1.49 0.28 0.00 0.70 0.00 0.00 55.95 58.29 2wex s SER 150 Cb 0.16 -2.45 1.02 0.00 -1.71 0.00 0.00 66.02 63.04 2wex s SER 150 CO 0.82 0.22 1.81 1.55 1.20 0.00 0.00 173.24 178.84 2wex h PRO 151 N 4.52 0.00 -2.11 5.44 0.13 -1.94 -3.36 132.00 134.67 2wex h PRO 151 Ca -0.48 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.07 2wex h PRO 151 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 2wex h PRO 151 CO 0.65 0.00 -0.86 1.58 -0.23 0.00 0.00 178.00 179.14 2wex n HIS 152 N -2.66 1.53 -1.21 1.56 -0.00 -1.26 -5.03 115.22 108.15 2wex n HIS 152 Ca 0.02 -3.84 -0.30 0.00 0.46 0.00 0.00 57.72 54.06 2wex n HIS 152 Cb 0.32 -0.44 0.13 0.00 -0.12 0.00 0.00 29.99 29.88 2wex n HIS 152 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2wex s PRO 153 N -1.77 1.42 0.33 1.57 0.04 -1.26 -4.95 135.00 130.39 2wex s PRO 153 Ca 0.37 0.89 -0.28 0.00 0.04 0.00 0.00 61.00 62.02 2wex s PRO 153 Cb 0.16 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.75 2wex s PRO 153 CO -0.07 -2.14 1.30 -2.30 0.04 0.00 0.00 177.00 173.83 2wex n PRO 154 N -3.83 2.12 0.02 0.56 -0.02 -1.26 -4.87 135.00 127.72 2wex n PRO 154 Ca 0.07 0.74 0.09 0.00 -2.02 0.00 0.00 63.50 62.39 2wex n PRO 154 Cb 0.55 -2.33 0.52 0.00 -0.02 0.00 0.00 33.50 32.21 2wex n PRO 154 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wex h GLU 155 N 2.72 0.34 -0.80 -0.52 4.57 -2.00 -1.92 114.58 116.97 2wex h GLU 155 Ca -0.46 -0.02 0.18 0.00 -1.18 0.00 0.00 59.36 57.88 2wex h GLU 155 Cb 1.28 -0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 29.68 2wex h GLU 155 CO 0.64 0.22 0.26 -0.22 -1.18 0.00 0.00 179.01 178.73 2wex h LYS 156 N 0.35 0.31 -0.55 1.92 3.64 -1.99 0.67 116.57 120.93 2wex h LYS 156 Ca 0.18 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 2wex h LYS 156 Cb 0.26 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 2wex h LYS 156 CO -0.04 0.21 0.29 0.00 -2.27 0.00 0.00 179.45 177.64 2wex h VAL 158 N 0.56 1.31 -0.60 0.00 2.07 -1.39 -2.30 116.25 115.90 2wex h VAL 158 Ca 0.24 -1.07 0.10 0.00 0.82 0.00 0.00 66.70 66.79 2wex h VAL 158 Cb 0.13 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 2wex h VAL 158 CO -0.16 0.31 0.21 -0.33 0.02 0.00 0.00 177.57 177.62 2wex h GLU 159 N -0.10 0.37 -0.50 1.57 5.08 -0.50 -1.53 114.58 118.98 2wex h GLU 159 Ca 0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2wex h GLU 159 Cb 0.51 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2wex h GLU 159 CO 0.02 0.25 0.20 0.93 -1.00 0.00 0.00 179.01 179.41 2wex h GLU 160 N 0.39 0.71 -0.37 2.33 5.08 -0.54 -0.79 114.58 121.38 2wex h GLU 160 Ca 0.31 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 2wex h GLU 160 Cb 0.39 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2wex h GLU 160 CO -0.32 0.58 -0.29 0.35 -1.00 0.00 0.00 179.01 178.34 2wex h PHE 161 N 0.71 1.00 -0.55 4.33 3.57 -0.84 -0.91 116.94 124.24 2wex h PHE 161 Ca 0.17 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 2wex h PHE 161 Cb 0.13 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2wex h PHE 161 CO 0.01 1.07 0.31 -0.22 -2.23 0.00 0.00 178.31 177.24 2wex h LYS 162 N 0.65 0.77 -0.15 1.11 3.64 -1.13 -0.82 116.57 120.64 2wex h LYS 162 Ca 0.07 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2wex h LYS 162 Cb 0.87 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2wex h LYS 162 CO 0.08 0.59 0.02 1.03 -2.27 0.00 0.00 179.45 178.89 2wex h SER 163 N 0.74 0.24 0.56 4.20 0.87 -1.06 -1.16 113.55 117.94 2wex h SER 163 Ca 0.20 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2wex h SER 163 Cb 0.04 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2wex h SER 163 CO -0.03 0.44 -0.33 0.25 -0.53 0.00 0.00 176.83 176.63 2wex h LEU 164 N 0.02 -0.82 -0.59 2.23 5.85 -1.09 -2.41 115.31 118.50 2wex h LEU 164 Ca 0.04 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2wex h LEU 164 Cb 0.31 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 2wex h LEU 164 CO 0.00 -0.53 0.36 0.71 -0.34 0.00 0.00 178.44 178.65 2wex h THR 165 N -0.84 1.06 -0.86 1.05 1.35 -1.15 -1.81 112.91 111.71 2wex h THR 165 Ca -0.07 -0.24 0.17 0.00 -0.55 0.00 0.00 66.41 65.72 2wex h THR 165 Cb 0.68 0.29 -0.11 0.00 -1.73 0.00 0.00 68.15 67.29 2wex h THR 165 CO 0.08 0.13 0.41 -1.28 -0.25 0.00 0.00 175.52 174.61 2wex h SER 166 N 0.71 0.44 -0.31 5.36 0.87 -1.16 0.62 113.55 120.07 2wex h SER 166 Ca 0.24 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.84 2wex h SER 166 Cb 0.03 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2wex h SER 166 CO -0.10 0.13 -0.04 0.00 -0.53 0.00 0.00 176.83 176.29 2wex n LEU 168 N -4.21 0.71 0.00 0.00 4.77 -0.81 -4.89 117.00 112.57 2wex n LEU 168 Ca 0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2wex n LEU 168 Cb 0.31 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2wex n LEU 168 CO 0.41 0.17 0.00 -0.67 -1.33 0.00 0.00 177.39 175.97 2wex n ASP 169 N -0.13 -2.67 -4.20 -1.43 2.03 -0.73 -4.97 116.55 104.45 2wex n ASP 169 Ca 0.04 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.91 2wex n ASP 169 Cb 0.12 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 2wex n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2wex n SER 170 N 0.36 5.79 0.16 1.67 7.64 0.16 -4.31 113.62 125.09 2wex n SER 170 Ca 0.00 -3.17 0.12 0.00 1.01 0.00 0.00 58.87 56.83 2wex n SER 170 Cb 0.00 -1.37 0.14 0.00 -1.01 0.00 0.00 64.21 61.98 2wex n SER 170 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2wex h LYS 171 N 6.19 0.00 -6.37 1.43 1.57 -1.73 -3.16 116.57 114.50 2wex h LYS 171 Ca 0.22 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.45 2wex h LYS 171 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2wex h LYS 171 CO 1.20 0.00 0.73 0.00 -0.57 0.00 0.00 179.45 180.81 2wex s ALA 172 N -3.24 3.52 -0.02 3.86 0.00 -0.86 -4.91 121.76 120.11 2wex s ALA 172 Ca 0.05 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2wex s ALA 172 Cb 0.08 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 2wex s ALA 172 CO 0.70 -0.77 -0.12 0.12 0.00 0.00 0.00 175.76 175.69 2wex s PHE 173 N 2.07 1.21 -0.05 0.00 5.36 -1.26 -1.06 117.98 124.25 2wex s PHE 173 Ca 0.60 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 56.28 2wex s PHE 173 Cb -0.28 -0.82 0.02 0.00 -0.34 0.00 0.00 43.02 41.60 2wex s PHE 173 CO 0.25 -0.09 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.71 2wex s LEU 174 N -0.01 1.24 -0.20 6.12 0.20 0.01 -5.00 118.68 121.03 2wex s LEU 174 Ca -0.01 -0.12 -0.07 0.00 0.69 0.00 0.00 54.13 54.63 2wex s LEU 174 Cb -0.08 -0.44 -0.03 0.00 -0.43 0.00 0.00 46.19 45.20 2wex s LEU 174 CO 0.01 -0.07 0.05 -0.22 -0.29 0.00 0.00 176.35 175.82 2wex s LEU 175 N 1.05 3.57 0.21 -0.68 2.96 -1.26 -0.90 118.68 123.63 2wex s LEU 175 Ca -0.09 -0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 2wex s LEU 175 Cb -0.14 -1.92 -0.09 0.00 0.50 0.00 0.00 46.19 44.54 2wex s LEU 175 CO -0.01 0.10 1.32 0.42 -1.32 0.00 0.00 176.35 176.86 2wex s THR 176 N 0.83 3.14 0.25 3.68 -4.23 -0.58 -4.93 115.64 113.80 2wex s THR 176 Ca 0.03 0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 61.48 2wex s THR 176 Cb -0.14 -3.61 0.06 0.00 1.34 0.00 0.00 72.50 70.16 2wex s THR 176 CO 0.02 0.15 1.69 1.55 -0.54 0.00 0.00 174.62 177.49 2wex h PRO 177 N 5.25 0.67 -6.22 3.99 0.13 -1.78 -3.48 132.00 130.56 2wex h PRO 177 Ca -0.45 -0.24 -0.46 0.00 -0.87 0.00 0.00 66.00 63.98 2wex h PRO 177 Cb 1.22 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2wex h PRO 177 CO 0.77 0.81 -0.76 0.54 -0.23 0.00 0.00 178.00 179.13 2wex n ARG 178 N -4.14 -5.74 0.12 0.86 1.74 -0.36 -4.86 116.66 104.28 2wex n ARG 178 Ca 0.00 0.63 0.06 0.00 -0.77 0.00 0.00 57.85 57.77 2wex n ARG 178 Cb 0.39 -5.49 0.02 0.00 -1.02 0.00 0.00 32.46 26.36 2wex n ARG 178 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2wex h ASN 179 N -2.13 0.00 -1.95 0.55 -0.26 -1.92 -3.48 115.58 106.39 2wex h ASN 179 Ca -0.58 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 54.66 2wex h ASN 179 Cb 1.37 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.59 2wex h ASN 179 CO 0.64 0.32 -0.47 -1.10 -1.06 0.00 0.00 177.43 175.76 2wex s GLN 180 N -3.09 2.80 0.51 0.81 -0.21 -1.26 -5.08 119.66 114.14 2wex s GLN 180 Ca 0.02 -1.21 -0.21 0.00 0.02 0.00 0.00 55.36 53.97 2wex s GLN 180 Cb 0.08 -2.51 -0.06 0.00 1.00 0.00 0.00 33.01 31.51 2wex s GLN 180 CO 0.76 0.18 1.18 -1.21 -2.12 0.00 0.00 175.29 174.08 2wex s GLU 181 N -3.96 3.46 0.50 2.91 2.02 -1.26 -4.92 118.70 117.46 2wex s GLU 181 Ca 0.39 1.78 -0.22 0.00 0.02 0.00 0.00 54.97 56.94 2wex s GLU 181 Cb -0.06 -2.20 -0.09 0.00 0.10 0.00 0.00 34.13 31.88 2wex s GLU 181 CO 0.26 -0.80 0.92 0.00 0.02 0.00 0.00 175.26 175.66 2wex n ALA 182 N -0.94 -0.04 -1.81 5.21 0.00 -1.26 -4.93 120.51 116.74 2wex n ALA 182 Ca 0.10 0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 2wex n ALA 182 Cb 0.49 -2.05 -0.06 0.00 0.00 0.00 0.00 19.45 17.83 2wex n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wex n GLU 184 N -0.60 1.54 0.00 0.00 0.28 -1.26 -4.85 120.64 115.75 2wex n GLU 184 Ca 0.07 0.57 0.00 0.00 -0.16 0.00 0.00 57.16 57.64 2wex n GLU 184 Cb 0.53 -2.57 0.00 0.00 1.43 0.00 0.00 31.44 30.83 2wex n GLU 184 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86