#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wix n SER 2 N 0.00 -5.34 0.06 1.61 2.88 -1.26 -4.90 113.62 106.67 1wix n SER 2 Ca 0.00 -0.65 -0.19 0.00 -1.33 0.00 0.00 58.87 56.70 1wix n SER 2 Cb 0.00 -4.55 -0.14 0.00 -0.75 0.00 0.00 64.21 58.76 1wix n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wix h SER 3 N -2.40 0.44 -5.00 -3.46 4.64 -2.06 -3.51 113.55 102.20 1wix h SER 3 Ca -0.58 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.07 1wix h SER 3 Cb 1.37 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1wix h SER 3 CO 0.60 1.57 0.00 0.61 -0.87 0.00 0.00 176.83 178.75 1wix n GLY 4 N 1.76 -1.89 3.48 -0.77 0.00 -1.26 -4.67 105.19 101.83 1wix n GLY 4 Ca -0.21 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.33 1wix n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wix s SER 5 N -2.73 5.05 1.04 1.61 1.04 -1.26 -5.11 113.70 113.35 1wix s SER 5 Ca 0.00 -0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.16 1wix s SER 5 Cb 0.00 -1.88 0.15 0.00 0.10 0.00 0.00 66.02 64.40 1wix s SER 5 CO 0.00 0.05 0.79 -1.20 0.98 0.00 0.00 173.24 173.86 1wix n SER 6 N 4.33 -0.43 0.00 7.02 7.64 -1.26 -5.04 113.62 125.88 1wix n SER 6 Ca -0.17 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1wix n SER 6 Cb 0.52 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1wix n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wix n GLY 7 N -0.86 1.84 3.69 0.23 0.00 -1.26 -5.09 105.19 103.74 1wix n GLY 7 Ca 0.10 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1wix n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wix s LEU 8 N 0.00 1.87 -0.02 0.99 2.34 -1.26 -4.75 118.68 117.85 1wix s LEU 8 Ca 0.00 1.32 -0.25 0.00 0.06 0.00 0.00 54.13 55.25 1wix s LEU 8 Cb 0.00 -3.60 -0.20 0.00 -0.56 0.00 0.00 46.19 41.84 1wix s LEU 8 CO 0.00 -2.94 1.23 1.55 -1.06 0.00 0.00 176.35 175.13 1wix h PRO 9 N -1.76 -0.06 -1.69 1.48 0.13 -1.95 0.63 132.00 128.78 1wix h PRO 9 Ca -0.52 0.00 0.49 0.00 -0.87 0.00 0.00 66.00 65.10 1wix h PRO 9 Cb 1.31 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 1wix h PRO 9 CO 0.56 0.41 1.20 1.25 -0.23 0.00 0.00 178.00 181.19 1wix h LEU 10 N -0.55 0.03 0.00 1.56 5.85 -1.94 0.28 115.31 120.54 1wix h LEU 10 Ca -0.01 0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.44 1wix h LEU 10 Cb 0.49 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1wix h LEU 10 CO 0.01 -0.02 -2.10 0.00 -0.34 0.00 0.00 178.44 176.00 1wix n ASP 12 N -2.93 0.00 -0.08 0.00 2.03 0.22 -2.79 116.55 113.00 1wix n ASP 12 Ca -0.32 0.30 -0.17 0.00 0.52 0.00 0.00 54.79 55.12 1wix n ASP 12 Cb 0.91 -0.37 -0.06 0.00 -0.72 0.00 0.00 41.12 40.88 1wix n ASP 12 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1wix n SER 13 N -1.37 1.30 -0.26 1.67 7.64 0.76 -4.55 113.62 118.80 1wix n SER 13 Ca 0.03 0.22 0.04 0.00 1.01 0.00 0.00 58.87 60.17 1wix n SER 13 Cb 0.07 -0.53 0.13 0.00 -1.01 0.00 0.00 64.21 62.87 1wix n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wix h LEU 14 N -0.63 -0.52 -0.88 -3.43 -0.00 -1.62 0.27 115.31 108.49 1wix h LEU 14 Ca -0.39 0.21 0.22 0.00 -0.00 0.00 0.00 57.88 57.92 1wix h LEU 14 Cb 1.29 0.41 -0.12 0.00 -0.00 0.00 0.00 40.66 42.23 1wix h LEU 14 CO -0.23 -0.22 0.36 0.40 -0.00 0.00 0.00 178.44 178.75 1wix h ILE 15 N 0.05 0.47 -0.63 1.22 2.04 -1.78 0.48 117.51 119.35 1wix h ILE 15 Ca 0.39 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 66.09 1wix h ILE 15 Cb 0.66 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1wix h ILE 15 CO -0.72 0.07 0.27 0.40 0.00 0.00 0.00 178.15 178.17 1wix h ILE 16 N 0.37 1.23 -0.00 -0.67 2.04 -0.72 0.30 117.51 120.06 1wix h ILE 16 Ca 0.55 -0.69 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 1wix h ILE 16 Cb 1.03 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1wix h ILE 16 CO -0.54 0.27 -0.62 -0.25 0.00 0.00 0.00 178.15 177.02 1wix h TRP 17 N 0.87 0.02 0.06 1.37 7.01 -0.36 -3.11 115.95 121.81 1wix h TRP 17 Ca 0.21 -0.01 -0.23 0.00 2.11 0.00 0.00 58.89 60.97 1wix h TRP 17 Cb 0.17 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1wix h TRP 17 CO 0.01 0.63 -1.07 1.25 -2.79 0.00 0.00 178.44 176.47 1wix h LEU 18 N 0.01 0.26 -1.98 0.65 7.12 0.20 -3.24 115.31 118.33 1wix h LEU 18 Ca -0.01 -0.26 0.29 0.00 0.13 0.00 0.00 57.88 58.04 1wix h LEU 18 Cb 1.09 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 41.10 1wix h LEU 18 CO 0.08 1.16 0.74 1.56 -0.13 0.00 0.00 178.44 181.85 1wix h GLN 19 N 0.06 0.00 -0.69 1.25 4.20 -0.34 0.25 115.11 119.85 1wix h GLN 19 Ca -0.07 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.84 1wix h GLN 19 Cb 1.78 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.53 1wix h GLN 19 CO 0.16 0.00 0.52 1.79 -0.67 0.00 0.00 178.83 180.63 1wix h THR 20 N 0.00 0.60 -3.03 -0.54 1.35 -1.68 -3.35 112.91 106.27 1wix h THR 20 Ca 0.48 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 65.70 1wix h THR 20 Cb 1.95 0.64 -0.15 0.00 -1.73 0.00 0.00 68.15 68.86 1wix h THR 20 CO -0.01 0.00 0.40 -0.36 -0.25 0.00 0.00 175.52 175.30 1wix s PHE 21 N -4.95 2.83 -0.25 4.73 0.40 0.88 -4.89 117.98 116.73 1wix s PHE 21 Ca -0.05 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1wix s PHE 21 Cb 0.20 -4.00 0.15 0.00 0.51 0.00 0.00 43.02 39.88 1wix s PHE 21 CO 0.73 -1.36 1.11 0.36 0.70 0.00 0.00 175.22 176.76 1wix n LYS 22 N 7.13 1.40 -0.91 0.44 2.85 -1.26 -4.76 118.16 123.05 1wix n LYS 22 Ca -0.03 -0.67 -0.37 0.00 -1.05 0.00 0.00 58.31 56.20 1wix n LYS 22 Cb 0.46 -1.34 0.07 0.00 -0.65 0.00 0.00 35.03 33.56 1wix n LYS 22 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1wix n THR 23 N 0.14 0.00 -0.56 0.58 -2.24 -1.26 -4.64 114.28 106.30 1wix n THR 23 Ca 0.12 -0.14 0.47 0.00 -2.27 0.00 0.00 64.05 62.22 1wix n THR 23 Cb 0.70 -0.17 0.79 0.00 -2.10 0.00 0.00 70.33 69.54 1wix n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wix h ALA 24 N -1.28 3.59 -3.07 6.98 0.00 -1.96 -3.34 119.26 120.19 1wix h ALA 24 Ca -0.43 -0.06 -0.65 0.00 0.00 0.00 0.00 54.91 53.77 1wix h ALA 24 Cb 1.37 0.13 -0.23 0.00 0.00 0.00 0.00 17.79 19.05 1wix h ALA 24 CO 0.26 -2.10 -0.66 0.45 0.00 0.00 0.00 179.25 177.20 1wix s SER 25 N -4.26 4.83 1.05 0.00 0.15 -1.26 -5.08 113.70 109.12 1wix s SER 25 Ca -0.05 -0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.24 1wix s SER 25 Cb 0.25 -1.84 0.21 0.00 -1.71 0.00 0.00 66.02 62.94 1wix s SER 25 CO 0.85 0.03 1.10 -2.16 1.20 0.00 0.00 173.24 174.25 1wix s PRO 26 N 1.20 0.03 -0.42 5.44 0.04 -1.26 -4.64 135.00 135.40 1wix s PRO 26 Ca 0.03 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.48 1wix s PRO 26 Cb -0.15 -1.70 0.15 0.00 0.04 0.00 0.00 34.50 32.84 1wix s PRO 26 CO 0.01 -2.97 0.27 0.00 0.04 0.00 0.00 177.00 174.36 1wix n GLN 28 N 3.42 0.00 -2.86 0.00 6.02 -1.26 -4.68 117.38 118.02 1wix n GLN 28 Ca 0.16 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.98 1wix n GLN 28 Cb 0.39 -0.22 0.02 0.00 1.02 0.00 0.00 30.24 31.44 1wix n GLN 28 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1wix n ASP 29 N -1.96 1.95 0.07 1.08 2.03 -1.26 -5.02 116.55 113.44 1wix n ASP 29 Ca 0.00 -2.26 -0.10 0.00 0.52 0.00 0.00 54.79 52.96 1wix n ASP 29 Cb 0.00 -0.15 0.01 0.00 -0.72 0.00 0.00 41.12 40.26 1wix n ASP 29 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wix h VAL 30 N 0.39 1.43 0.00 5.18 -1.51 -1.96 -3.09 116.25 116.68 1wix h VAL 30 Ca -0.23 -2.36 -0.04 0.00 -1.23 0.00 0.00 66.70 62.84 1wix h VAL 30 Cb 0.91 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 32.36 1wix h VAL 30 CO 0.35 0.70 -0.20 0.11 -1.23 0.00 0.00 177.57 177.29 1wix h LYS 31 N 0.19 0.00 0.00 5.19 1.57 -1.96 0.31 116.57 121.87 1wix h LYS 31 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1wix h LYS 31 Cb 1.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 1wix h LYS 31 CO 0.13 0.20 -0.11 1.96 -0.57 0.00 0.00 179.45 181.07 1wix h GLN 32 N 0.00 0.00 0.03 3.15 4.20 -1.94 -3.32 115.11 117.23 1wix h GLN 32 Ca -0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.34 1wix h GLN 32 Cb 0.44 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 1wix h GLN 32 CO 0.03 0.06 -2.23 1.28 -0.67 0.00 0.00 178.83 177.30 1wix n LEU 33 N -3.10 1.71 -0.45 1.46 4.77 -0.73 -4.27 117.00 116.40 1wix n LEU 33 Ca 0.04 0.06 0.39 0.00 -0.03 0.00 0.00 56.01 56.47 1wix n LEU 33 Cb 0.56 -0.37 0.60 0.00 -2.33 0.00 0.00 43.42 41.88 1wix n LEU 33 CO 0.35 0.71 1.33 0.35 -1.33 0.00 0.00 177.39 178.80 1wix n THR 34 N -3.12 0.00 0.07 -5.08 -2.24 0.10 0.72 114.28 104.73 1wix n THR 34 Ca -0.35 1.33 -0.12 0.00 -2.27 0.00 0.00 64.05 62.64 1wix n THR 34 Cb 1.06 -2.30 -0.06 0.00 -2.10 0.00 0.00 70.33 66.93 1wix n THR 34 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1wix h ASN 35 N 0.00 -0.17 0.00 3.42 4.21 -1.75 -3.44 115.58 117.85 1wix h ASN 35 Ca 0.69 0.02 0.00 0.00 1.21 0.00 0.00 56.30 58.22 1wix h ASN 35 Cb 3.26 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 40.52 1wix h ASN 35 CO -0.01 -0.10 0.00 0.61 -1.29 0.00 0.00 177.43 176.64 1wix n GLY 36 N -1.17 2.02 0.41 2.83 0.00 0.22 -3.44 105.19 106.05 1wix n GLY 36 Ca -0.07 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 1wix n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wix h VAL 37 N 0.00 0.00 -0.13 1.61 2.07 -1.84 0.13 116.25 118.09 1wix h VAL 37 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1wix h VAL 37 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.72 1wix h VAL 37 CO 0.00 0.00 -0.24 0.74 0.02 0.00 0.00 177.57 178.09 1wix h THR 38 N -0.02 0.42 -0.24 2.57 2.02 -1.87 -1.18 112.91 114.61 1wix h THR 38 Ca 0.23 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.47 1wix h THR 38 Cb 0.49 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1wix h THR 38 CO -0.94 0.00 -0.26 0.24 0.37 0.00 0.00 175.52 174.93 1wix h MET 39 N -0.30 -0.26 0.13 6.66 2.86 -1.25 -1.60 114.93 121.16 1wix h MET 39 Ca 0.10 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1wix h MET 39 Cb 0.45 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1wix h MET 39 CO -0.31 -0.17 -0.47 0.00 1.06 0.00 0.00 176.91 177.02 1wix h ALA 40 N 0.74 -0.85 -1.08 6.32 0.00 -0.39 -0.13 119.26 123.86 1wix h ALA 40 Ca 0.14 -0.09 0.30 0.00 0.00 0.00 0.00 54.91 55.25 1wix h ALA 40 Cb 0.48 0.79 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 1wix h ALA 40 CO -0.40 -1.05 0.69 1.96 0.00 0.00 0.00 179.25 180.45 1wix h GLN 41 N -0.70 0.33 -0.09 0.00 4.20 -0.85 0.84 115.11 118.84 1wix h GLN 41 Ca 0.01 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1wix h GLN 41 Cb 0.72 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1wix h GLN 41 CO -0.26 0.22 -0.10 0.28 -0.67 0.00 0.00 178.83 178.30 1wix h VAL 42 N 0.34 1.37 -0.85 -0.54 2.07 -0.20 -3.19 116.25 115.26 1wix h VAL 42 Ca 0.64 -1.27 0.17 0.00 0.82 0.00 0.00 66.70 67.06 1wix h VAL 42 Cb 1.69 2.00 -0.10 0.00 -1.52 0.00 0.00 31.29 33.35 1wix h VAL 42 CO -0.34 0.36 0.39 -0.07 0.02 0.00 0.00 177.57 177.93 1wix h LEU 43 N -0.18 0.41 -2.23 2.57 3.38 0.88 0.46 115.31 120.59 1wix h LEU 43 Ca 0.01 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1wix h LEU 43 Cb 0.63 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1wix h LEU 43 CO 0.02 0.12 0.10 -0.74 0.09 0.00 0.00 178.44 178.04 1wix h HIS 44 N 0.51 0.00 0.07 1.13 2.76 -1.39 -0.93 115.15 117.30 1wix h HIS 44 Ca 0.49 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 58.41 1wix h HIS 44 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1wix h HIS 44 CO -0.12 0.00 -1.09 1.96 -1.30 0.00 0.00 177.93 177.38 1wix h GLN 45 N 0.00 0.35 -0.21 5.26 4.20 -0.13 -3.24 115.11 121.34 1wix h GLN 45 Ca 0.05 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 1wix h GLN 45 Cb 0.26 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1wix h GLN 45 CO -0.00 1.16 0.09 0.82 -0.67 0.00 0.00 178.83 180.23 1wix h ILE 46 N 0.15 1.15 -1.22 2.54 2.04 -0.71 -3.44 117.51 118.03 1wix h ILE 46 Ca -0.11 -0.46 0.10 0.00 1.00 0.00 0.00 64.86 65.40 1wix h ILE 46 Cb 1.76 1.07 -0.21 0.00 -0.74 0.00 0.00 36.82 38.71 1wix h ILE 46 CO 0.18 0.15 -0.18 -0.62 0.00 0.00 0.00 178.15 177.69 1wix s ASP 47 N -5.59 -1.22 0.16 1.72 2.15 -1.01 -4.81 116.67 108.07 1wix s ASP 47 Ca -0.14 1.02 -0.10 0.00 0.43 0.00 0.00 52.55 53.76 1wix s ASP 47 Cb 0.08 2.12 0.01 0.00 -0.30 0.00 0.00 42.92 44.83 1wix s ASP 47 CO 0.71 -0.23 1.57 -0.37 -0.17 0.00 0.00 175.17 176.67 1wix h VAL 48 N 5.93 1.27 -0.93 1.11 -1.51 -1.70 0.13 116.25 120.54 1wix h VAL 48 Ca -0.21 -1.31 0.24 0.00 -1.23 0.00 0.00 66.70 64.20 1wix h VAL 48 Cb 1.14 1.06 -0.17 0.00 -2.13 0.00 0.00 31.29 31.20 1wix h VAL 48 CO 0.18 0.46 0.03 0.00 -1.23 0.00 0.00 177.57 177.00 1wix h ALA 49 N 0.89 1.07 0.09 5.19 0.00 -1.96 0.02 119.26 124.56 1wix h ALA 49 Ca 0.12 0.31 -0.37 0.00 0.00 0.00 0.00 54.91 54.98 1wix h ALA 49 Cb 0.72 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1wix h ALA 49 CO 0.06 -0.52 -2.10 1.87 0.00 0.00 0.00 179.25 178.56 1wix n TRP 50 N -5.44 0.94 -3.63 0.00 -0.00 -1.18 -4.63 117.44 103.50 1wix n TRP 50 Ca 0.21 0.21 -0.33 0.00 -0.00 0.00 0.00 57.50 57.58 1wix n TRP 50 Cb 0.68 -1.13 -0.08 0.00 -0.00 0.00 0.00 31.31 30.79 1wix n TRP 50 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1wix n PHE 51 N -3.39 3.73 -3.39 5.87 3.72 0.44 -4.95 117.46 119.49 1wix n PHE 51 Ca -0.34 -4.08 -0.23 0.00 -0.05 0.00 0.00 57.45 52.75 1wix n PHE 51 Cb 1.04 -0.91 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 1wix n PHE 51 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1wix s SER 52 N -1.03 6.14 0.51 4.37 0.01 -0.10 -4.09 113.70 119.51 1wix s SER 52 Ca 0.29 0.27 0.38 0.00 1.31 0.00 0.00 55.95 58.19 1wix s SER 52 Cb -0.02 -1.78 1.54 0.00 0.21 0.00 0.00 66.02 65.97 1wix s SER 52 CO -0.10 -0.38 1.70 -0.33 0.41 0.00 0.00 173.24 174.54 1wix h GLU 53 N 0.75 0.06 -0.98 12.44 5.08 -1.96 0.70 114.58 130.67 1wix h GLU 53 Ca -0.49 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1wix h GLU 53 Cb 1.23 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 1wix h GLU 53 CO 0.59 0.04 0.64 0.77 -1.00 0.00 0.00 179.01 180.05 1wix h SER 54 N 0.06 1.01 0.06 1.42 0.02 -1.97 0.22 113.55 114.38 1wix h SER 54 Ca 0.73 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.69 1wix h SER 54 Cb 2.70 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 65.04 1wix h SER 54 CO -0.12 0.65 -0.03 -0.25 -1.14 0.00 0.00 176.83 175.93 1wix h TRP 55 N 1.14 -0.08 -0.02 3.45 7.01 0.04 -3.27 115.95 124.23 1wix h TRP 55 Ca 0.42 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.43 1wix h TRP 55 Cb 0.17 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1wix h TRP 55 CO -0.00 0.33 0.18 1.25 -2.79 0.00 0.00 178.44 177.41 1wix h LEU 56 N -0.98 0.00 -0.03 0.65 5.85 -1.38 0.22 115.31 119.65 1wix h LEU 56 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1wix h LEU 56 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1wix h LEU 56 CO 0.01 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 176.91 1wix n SER 57 N -3.05 0.02 0.01 1.25 7.64 0.78 -1.68 113.62 118.59 1wix n SER 57 Ca -0.02 0.51 0.11 0.00 1.01 0.00 0.00 58.87 60.48 1wix n SER 57 Cb 0.25 -0.51 0.10 0.00 -1.01 0.00 0.00 64.21 63.04 1wix n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wix n ARG 58 N -1.53 0.13 -3.00 1.43 5.12 0.77 -4.91 116.66 114.67 1wix n ARG 58 Ca 0.03 0.01 -0.37 0.00 -1.93 0.00 0.00 57.85 55.58 1wix n ARG 58 Cb 0.16 -1.55 -0.06 0.00 -1.16 0.00 0.00 32.46 29.85 1wix n ARG 58 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wix s ILE 59 N -3.08 4.43 0.04 0.55 -1.09 -0.67 -4.95 121.20 116.42 1wix s ILE 59 Ca 0.07 1.53 0.08 0.00 -2.23 0.00 0.00 60.65 60.11 1wix s ILE 59 Cb 0.16 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1wix s ILE 59 CO 0.77 0.30 -0.23 -0.54 -1.23 0.00 0.00 174.94 174.01 1wix s LYS 60 N -1.71 1.93 -0.01 2.79 1.02 -1.26 -5.02 119.74 117.49 1wix s LYS 60 Ca 0.42 -1.04 0.16 0.00 0.02 0.00 0.00 55.97 55.53 1wix s LYS 60 Cb -0.19 -2.07 -0.21 0.00 -0.52 0.00 0.00 37.83 34.84 1wix s LYS 60 CO 0.23 0.53 0.58 -3.47 -0.92 0.00 0.00 175.35 172.30 1wix n ASP 61 N 1.73 0.90 0.21 2.83 2.03 -1.26 -4.39 116.55 118.60 1wix n ASP 61 Ca -0.17 -0.58 0.09 0.00 0.52 0.00 0.00 54.79 54.65 1wix n ASP 61 Cb 0.52 1.27 0.48 0.00 -0.72 0.00 0.00 41.12 42.66 1wix n ASP 61 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1wix h ASP 62 N 0.00 0.00 -1.41 1.67 1.82 -1.95 -2.70 116.42 113.86 1wix h ASP 62 Ca 0.00 0.00 0.41 0.00 -0.39 0.00 0.00 57.03 57.05 1wix h ASP 62 Cb 0.52 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.47 1wix h ASP 62 CO 0.00 0.00 1.20 1.33 -1.61 0.00 0.00 179.24 180.16 1wix n VAL 63 N -2.28 0.00 -0.18 2.25 0.24 -1.26 -2.07 118.33 115.04 1wix n VAL 63 Ca -0.01 1.24 -0.03 0.00 -2.04 0.00 0.00 64.34 63.50 1wix n VAL 63 Cb 0.33 -2.13 -0.01 0.00 -1.47 0.00 0.00 33.84 30.56 1wix n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wix n GLY 64 N -1.74 -1.01 0.36 7.63 0.00 -1.02 0.10 105.19 109.51 1wix n GLY 64 Ca 0.32 0.50 0.08 0.00 0.00 0.00 0.00 46.02 46.92 1wix n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wix n ASP 65 N -4.60 1.61 -4.34 1.61 2.03 -0.88 -4.92 116.55 107.06 1wix n ASP 65 Ca 0.03 -1.30 -0.34 0.00 0.52 0.00 0.00 54.79 53.70 1wix n ASP 65 Cb 0.15 0.47 -0.14 0.00 -0.72 0.00 0.00 41.12 40.87 1wix n ASP 65 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1wix s ASN 66 N -1.88 4.09 -0.06 1.67 0.01 0.29 -4.99 114.94 114.06 1wix s ASN 66 Ca 0.13 -0.36 0.16 0.00 -0.71 0.00 0.00 52.86 52.08 1wix s ASN 66 Cb 0.13 -1.65 -0.22 0.00 0.41 0.00 0.00 41.25 39.92 1wix s ASN 66 CO 0.40 0.10 0.52 -2.67 -1.51 0.00 0.00 177.10 173.94 1wix n TRP 67 N 3.98 0.63 -0.01 2.20 4.27 -1.26 -4.14 117.44 123.12 1wix n TRP 67 Ca -0.18 0.22 -0.03 0.00 -3.89 0.00 0.00 57.50 53.62 1wix n TRP 67 Cb 0.52 -1.06 0.21 0.00 -1.36 0.00 0.00 31.31 29.62 1wix n TRP 67 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wix h ARG 68 N 0.00 0.54 -0.05 -2.67 2.47 -1.94 -2.62 114.38 110.11 1wix h ARG 68 Ca -0.31 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.17 1wix h ARG 68 Cb 1.90 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 30.17 1wix h ARG 68 CO 0.05 0.70 -0.22 0.82 0.56 0.00 0.00 179.97 181.87 1wix h ILE 69 N 0.49 1.19 0.45 2.04 2.04 -1.94 -3.19 117.51 118.58 1wix h ILE 69 Ca 0.08 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1wix h ILE 69 Cb 0.59 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1wix h ILE 69 CO 0.04 0.26 -0.35 0.11 0.00 0.00 0.00 178.15 178.21 1wix h LYS 70 N 0.08 -0.75 -0.83 2.37 1.57 -1.63 -2.94 116.57 114.44 1wix h LYS 70 Ca 0.01 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1wix h LYS 70 Cb 0.45 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 32.80 1wix h LYS 70 CO 0.03 -0.50 -0.49 0.00 -0.57 0.00 0.00 179.45 177.93 1wix h ALA 71 N -1.27 -0.30 -1.20 3.86 0.00 -1.62 0.64 119.26 119.36 1wix h ALA 71 Ca -0.06 0.15 0.40 0.00 0.00 0.00 0.00 54.91 55.41 1wix h ALA 71 Cb 0.65 1.13 -0.14 0.00 0.00 0.00 0.00 17.79 19.43 1wix h ALA 71 CO 0.01 -0.84 0.75 0.77 0.00 0.00 0.00 179.25 179.94 1wix h SER 72 N -0.10 0.31 0.19 0.00 0.02 -1.57 -0.57 113.55 111.84 1wix h SER 72 Ca 0.21 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1wix h SER 72 Cb 0.52 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1wix h SER 72 CO -0.85 -0.20 -0.09 0.78 -1.14 0.00 0.00 176.83 175.32 1wix h ASN 73 N 0.13 -0.22 -0.99 3.07 2.35 0.43 -3.19 115.58 117.16 1wix h ASN 73 Ca 0.80 0.01 0.41 0.00 -0.55 0.00 0.00 56.30 56.96 1wix h ASN 73 Cb 2.32 0.06 -0.18 0.00 0.05 0.00 0.00 38.32 40.57 1wix h ASN 73 CO -0.50 0.13 0.51 0.18 -1.65 0.00 0.00 177.43 176.10 1wix n LEU 74 N -4.27 0.32 0.43 1.61 4.77 -0.51 -0.17 117.00 119.20 1wix n LEU 74 Ca -0.03 1.65 -0.19 0.00 -0.03 0.00 0.00 56.01 57.40 1wix n LEU 74 Cb 0.10 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.30 1wix n LEU 74 CO 0.08 -1.84 0.58 0.11 -1.33 0.00 0.00 177.39 174.99 1wix h LYS 75 N 0.00 -1.10 -0.66 3.23 1.57 -1.24 -0.69 116.57 117.67 1wix h LYS 75 Ca 0.83 0.08 0.08 0.00 -1.87 0.00 0.00 60.65 59.77 1wix h LYS 75 Cb 2.18 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 34.67 1wix h LYS 75 CO -0.77 -0.73 0.32 0.87 -0.57 0.00 0.00 179.45 178.56 1wix h LYS 76 N -1.14 0.54 -0.57 3.15 1.57 -0.54 0.12 116.57 119.70 1wix h LYS 76 Ca -0.11 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1wix h LYS 76 Cb 0.90 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.04 1wix h LYS 76 CO 0.14 0.36 0.30 0.28 -0.57 0.00 0.00 179.45 179.96 1wix h VAL 77 N 0.56 0.96 0.17 0.50 2.07 -0.95 0.17 116.25 119.73 1wix h VAL 77 Ca 0.32 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1wix h VAL 77 Cb 0.33 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1wix h VAL 77 CO -0.26 0.10 -0.08 0.25 0.02 0.00 0.00 177.57 177.60 1wix h LEU 78 N 0.57 -0.20 -1.58 2.57 5.85 -0.26 -3.08 115.31 119.17 1wix h LEU 78 Ca 0.25 -0.29 0.12 0.00 0.84 0.00 0.00 57.88 58.81 1wix h LEU 78 Cb 0.16 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1wix h LEU 78 CO -0.17 0.21 0.46 -0.74 -0.34 0.00 0.00 178.44 177.86 1wix h HIS 79 N -0.64 0.50 0.00 1.25 2.76 -0.62 0.15 115.15 118.54 1wix h HIS 79 Ca -0.02 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1wix h HIS 79 Cb 0.47 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 1wix h HIS 79 CO 0.05 0.22 -0.12 0.78 -1.30 0.00 0.00 177.93 177.55 1wix h GLY 80 N 0.45 0.00 0.00 5.26 0.00 -0.57 -2.45 103.07 105.75 1wix h GLY 80 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.34 1wix h GLY 80 CO -0.10 0.00 -1.74 1.39 0.00 0.00 0.00 176.54 176.09 1wix n ILE 81 N -3.57 1.53 -0.01 2.60 5.41 0.30 -3.66 119.36 121.96 1wix n ILE 81 Ca -0.02 -0.16 0.23 0.00 1.00 0.00 0.00 62.75 63.81 1wix n ILE 81 Cb 0.26 -2.00 0.72 0.00 -0.71 0.00 0.00 39.64 37.91 1wix n ILE 81 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1wix h THR 82 N -1.00 0.49 0.12 1.39 1.35 -1.00 0.18 112.91 114.44 1wix h THR 82 Ca -0.47 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.11 1wix h THR 82 Cb 1.39 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1wix h THR 82 CO -0.29 0.00 -1.31 -1.28 -0.25 0.00 0.00 175.52 172.40 1wix h SER 83 N 0.00 0.40 0.57 5.36 0.87 -1.62 -3.05 113.55 116.09 1wix h SER 83 Ca 0.28 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1wix h SER 83 Cb 1.29 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1wix h SER 83 CO -0.00 1.36 0.00 0.00 -0.53 0.00 0.00 176.83 177.66 1wix n TYR 84 N -3.50 0.37 -0.07 2.24 9.36 0.60 0.73 117.16 126.89 1wix n TYR 84 Ca -0.10 0.15 -0.14 0.00 3.32 0.00 0.00 57.90 61.13 1wix n TYR 84 Cb 1.03 -0.74 -0.14 0.00 -0.63 0.00 0.00 39.34 38.86 1wix n TYR 84 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1wix n TYR 85 N -1.84 0.46 0.04 2.98 4.01 -0.93 -2.14 117.16 119.75 1wix n TYR 85 Ca 0.03 0.13 0.05 0.00 -0.16 0.00 0.00 57.90 57.95 1wix n TYR 85 Cb 0.19 -1.07 -0.08 0.00 -0.31 0.00 0.00 39.34 38.07 1wix n TYR 85 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1wix n HIS 86 N -3.07 0.74 0.00 -0.72 8.25 -0.65 0.21 115.22 119.98 1wix n HIS 86 Ca -0.32 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1wix n HIS 86 Cb 1.07 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1wix n HIS 86 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1wix n GLU 87 N -2.70 0.00 0.00 -0.41 1.02 0.22 -3.71 120.64 115.07 1wix n GLU 87 Ca -0.07 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1wix n GLU 87 Cb 0.72 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 1wix n GLU 87 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wix n PHE 88 N -2.37 0.00 -0.08 -0.32 7.35 -1.19 -3.84 117.46 117.02 1wix n PHE 88 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1wix n PHE 88 Cb 0.00 -0.46 -0.05 0.00 0.35 0.00 0.00 39.48 39.32 1wix n PHE 88 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1wix h LEU 89 N 0.00 0.59 0.00 -2.13 3.38 -1.54 -3.48 115.31 112.12 1wix h LEU 89 Ca 0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1wix h LEU 89 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1wix h LEU 89 CO 0.00 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.07 1wix n GLY 90 N 0.14 2.73 3.57 0.83 0.00 0.57 -4.94 105.19 108.08 1wix n GLY 90 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1wix n GLY 90 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wix s GLN 91 N -0.30 -0.86 0.27 1.61 -2.07 0.54 -4.36 119.66 114.48 1wix s GLN 91 Ca 0.00 0.27 0.01 0.00 -1.82 0.00 0.00 55.36 53.82 1wix s GLN 91 Cb 0.00 -1.61 0.01 0.00 -1.09 0.00 0.00 33.01 30.32 1wix s GLN 91 CO 0.00 -3.54 0.07 0.00 -1.32 0.00 0.00 175.29 170.49 1wix n GLN 92 N -4.70 1.28 -4.81 9.60 10.64 -1.26 -1.63 117.38 126.49 1wix n GLN 92 Ca 0.09 -1.84 -0.26 0.00 -1.83 0.00 0.00 57.00 53.16 1wix n GLN 92 Cb 0.58 0.40 -0.16 0.00 -0.86 0.00 0.00 30.24 30.21 1wix n GLN 92 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1wix s ILE 93 N -1.76 1.39 0.38 -0.39 1.01 -1.26 -3.36 121.20 117.21 1wix s ILE 93 Ca 0.05 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 1wix s ILE 93 Cb -0.00 -1.19 -0.10 0.00 0.01 0.00 0.00 42.46 41.18 1wix s ILE 93 CO 0.03 0.40 0.86 -0.44 0.00 0.00 0.00 174.94 175.79 1wix s SER 94 N -0.05 6.88 0.38 3.58 0.01 -0.34 -4.91 113.70 119.26 1wix s SER 94 Ca -0.02 1.52 0.18 0.00 1.31 0.00 0.00 55.95 58.94 1wix s SER 94 Cb -0.10 -2.47 0.98 0.00 0.21 0.00 0.00 66.02 64.64 1wix s SER 94 CO 0.01 -0.29 1.49 -0.33 0.41 0.00 0.00 173.24 174.53 1wix h GLU 95 N 2.08 0.00 0.00 12.44 5.08 -1.95 0.34 114.58 132.57 1wix h GLU 95 Ca -0.48 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 1wix h GLU 95 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1wix h GLU 95 CO 0.63 0.00 -0.38 0.93 -1.00 0.00 0.00 179.01 179.19 1wix h GLU 96 N 0.00 0.00 0.00 2.33 4.39 -1.94 -3.19 114.58 116.17 1wix h GLU 96 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1wix h GLU 96 Cb 0.47 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 1wix h GLU 96 CO 0.00 0.38 -2.23 1.28 -1.16 0.00 0.00 179.01 177.28 1wix n LEU 97 N -3.60 0.25 -4.45 1.33 4.77 0.11 -4.91 117.00 110.51 1wix n LEU 97 Ca -0.01 0.10 -0.46 0.00 -0.03 0.00 0.00 56.01 55.61 1wix n LEU 97 Cb 0.50 0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 41.88 1wix n LEU 97 CO 0.37 0.48 2.00 -0.38 -1.33 0.00 0.00 177.39 178.53 1wix n ILE 98 N -2.83 0.03 -2.13 -0.08 2.08 -0.96 -4.62 119.36 110.85 1wix n ILE 98 Ca -0.29 -0.20 -0.43 0.00 0.56 0.00 0.00 62.75 62.40 1wix n ILE 98 Cb 1.13 -1.15 -0.03 0.00 -0.75 0.00 0.00 39.64 38.85 1wix n ILE 98 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1wix s PRO 99 N 7.68 4.00 -0.85 0.38 0.04 -1.26 -4.93 135.00 140.06 1wix s PRO 99 Ca 1.21 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 63.84 1wix s PRO 99 Cb -1.03 -3.97 -0.02 0.00 0.04 0.00 0.00 34.50 29.52 1wix s PRO 99 CO 0.48 -1.04 1.79 -0.51 0.04 0.00 0.00 177.00 177.77 1wix s ASP 100 N 3.53 5.48 0.08 6.66 1.11 -1.26 -4.82 116.67 127.46 1wix s ASP 100 Ca 0.69 -0.58 -0.21 0.00 0.18 0.00 0.00 52.55 52.63 1wix s ASP 100 Cb -0.27 -2.56 -0.11 0.00 1.07 0.00 0.00 42.92 41.05 1wix s ASP 100 CO 0.27 -2.38 1.63 -0.07 1.18 0.00 0.00 175.17 175.80 1wix h LEU 101 N 16.31 0.19 -1.30 1.23 3.38 -1.94 -0.72 115.31 132.46 1wix h LEU 101 Ca 0.01 -0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.01 1wix h LEU 101 Cb 1.04 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 1wix h LEU 101 CO 1.26 0.29 0.60 0.78 0.09 0.00 0.00 178.44 181.45 1wix h ASN 102 N 0.08 0.60 1.00 -0.43 2.35 -1.98 0.65 115.58 117.84 1wix h ASN 102 Ca 0.05 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1wix h ASN 102 Cb 0.15 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1wix h ASN 102 CO -0.00 0.26 -0.30 0.00 -1.65 0.00 0.00 177.43 175.74 1wix n GLN 103 N -4.59 0.17 -0.04 0.81 6.02 -1.02 -2.15 117.38 116.58 1wix n GLN 103 Ca 0.20 0.09 -0.07 0.00 -0.01 0.00 0.00 57.00 57.20 1wix n GLN 103 Cb 0.58 -1.65 -0.14 0.00 1.02 0.00 0.00 30.24 30.06 1wix n GLN 103 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1wix n ILE 104 N -1.91 1.44 0.01 5.09 5.41 0.17 0.12 119.36 129.69 1wix n ILE 104 Ca 0.05 -0.79 -0.04 0.00 1.00 0.00 0.00 62.75 62.97 1wix n ILE 104 Cb 0.40 -0.79 -0.11 0.00 -0.71 0.00 0.00 39.64 38.42 1wix n ILE 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1wix n THR 105 N -2.91 1.39 -0.07 1.39 -1.04 0.17 -1.94 114.28 111.27 1wix n THR 105 Ca -0.20 -0.74 -0.18 0.00 -2.04 0.00 0.00 64.05 60.89 1wix n THR 105 Cb 1.04 -0.88 -0.13 0.00 -1.82 0.00 0.00 70.33 68.54 1wix n THR 105 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wix n GLU 106 N -2.96 0.69 -0.08 -2.82 1.02 -0.91 -4.72 120.64 110.86 1wix n GLU 106 Ca -0.13 0.19 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 1wix n GLU 106 Cb 0.94 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 30.68 1wix n GLU 106 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wix n ALA 108 N -3.46 -0.16 -1.62 0.00 0.00 0.12 -4.94 120.51 110.45 1wix n ALA 108 Ca -0.31 0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 1wix n ALA 108 Cb 0.76 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.19 1wix n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wix n ASP 109 N 0.83 1.63 0.28 0.00 2.03 -1.22 -4.74 116.55 115.34 1wix n ASP 109 Ca -0.07 1.12 0.17 0.00 0.52 0.00 0.00 54.79 56.52 1wix n ASP 109 Cb 0.45 -1.37 0.69 0.00 -0.72 0.00 0.00 41.12 40.17 1wix n ASP 109 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wix h PRO 110 N 1.91 0.00 0.09 -0.67 0.13 -1.96 -1.44 132.00 130.06 1wix h PRO 110 Ca -0.43 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.41 1wix h PRO 110 Cb 1.33 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.48 1wix h PRO 110 CO 0.59 0.02 -1.19 0.28 -0.23 0.00 0.00 178.00 177.47 1wix h VAL 111 N 0.00 1.31 0.12 1.56 2.07 -1.96 -3.05 116.25 116.30 1wix h VAL 111 Ca -0.00 -2.47 -0.17 0.00 0.82 0.00 0.00 66.70 64.88 1wix h VAL 111 Cb 0.51 2.64 0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1wix h VAL 111 CO 0.00 0.75 -0.76 -0.33 0.02 0.00 0.00 177.57 177.25 1wix h GLU 112 N 0.28 0.30 -0.29 1.57 3.07 -1.90 -3.33 114.58 114.28 1wix h GLU 112 Ca -0.17 -0.48 0.07 0.00 -0.50 0.00 0.00 59.36 58.27 1wix h GLU 112 Cb 1.86 0.18 -0.07 0.00 -0.84 0.00 0.00 28.75 29.88 1wix h GLU 112 CO 0.23 1.22 -0.16 1.25 -1.40 0.00 0.00 179.01 180.14 1wix h LEU 113 N -0.37 -0.54 -1.62 1.33 7.12 -1.40 -0.40 115.31 119.42 1wix h LEU 113 Ca -0.13 0.12 0.26 0.00 0.13 0.00 0.00 57.88 58.26 1wix h LEU 113 Cb 1.58 0.29 -0.07 0.00 -0.53 0.00 0.00 40.66 41.93 1wix h LEU 113 CO 0.14 -0.20 0.67 1.23 -0.13 0.00 0.00 178.44 180.16 1wix h GLY 114 N -0.13 0.70 0.91 3.75 0.00 -1.66 -0.26 103.07 106.37 1wix h GLY 114 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1wix h GLY 114 CO -0.37 -0.05 0.08 3.21 0.00 0.00 0.00 176.54 179.40 1wix h ARG 115 N 0.26 0.22 -0.82 4.80 3.08 -1.17 -0.47 114.38 120.28 1wix h ARG 115 Ca 0.52 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.61 1wix h ARG 115 Cb 1.58 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.53 1wix h ARG 115 CO -0.16 0.27 0.54 1.25 -1.07 0.00 0.00 179.97 180.79 1wix h LEU 116 N 0.13 0.79 -0.44 3.04 5.85 -0.94 -1.46 115.31 122.28 1wix h LEU 116 Ca 0.05 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.60 1wix h LEU 116 Cb 0.11 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1wix h LEU 116 CO -0.01 0.50 -0.67 -0.07 -0.34 0.00 0.00 178.44 177.86 1wix h LEU 117 N 0.89 0.54 0.04 2.25 3.38 -1.17 -3.20 115.31 118.04 1wix h LEU 117 Ca 0.36 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1wix h LEU 117 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1wix h LEU 117 CO -0.13 1.06 -0.17 -0.61 0.09 0.00 0.00 178.44 178.67 1wix h GLN 118 N 0.33 -0.29 -0.93 1.13 4.15 -0.01 -1.81 115.11 117.68 1wix h GLN 118 Ca -0.02 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.56 1wix h GLN 118 Cb 1.23 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 28.91 1wix h GLN 118 CO 0.12 -0.20 0.59 -0.07 -1.93 0.00 0.00 178.83 177.35 1wix h LEU 119 N -0.30 0.75 -0.86 -2.39 -0.00 -1.52 0.16 115.31 111.14 1wix h LEU 119 Ca 0.04 0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.92 1wix h LEU 119 Cb 0.35 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 1wix h LEU 119 CO -0.14 0.38 0.25 0.40 -0.00 0.00 0.00 178.44 179.34 1wix h ILE 120 N 0.80 1.25 0.00 1.22 2.04 -1.35 -2.39 117.51 119.08 1wix h ILE 120 Ca 0.47 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1wix h ILE 120 Cb 0.64 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1wix h ILE 120 CO -0.23 0.33 -0.24 0.25 0.00 0.00 0.00 178.15 178.26 1wix h LEU 121 N 1.06 0.00 -1.26 1.44 5.85 -0.30 -3.23 115.31 118.88 1wix h LEU 121 Ca 0.24 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1wix h LEU 121 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1wix h LEU 121 CO -0.01 0.24 -0.14 1.23 -0.34 0.00 0.00 178.44 179.42 1wix h GLY 122 N 3.49 0.36 1.62 3.75 0.00 -0.24 -2.52 103.07 109.54 1wix h GLY 122 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1wix h GLY 122 CO 0.03 0.22 -0.60 0.00 0.00 0.00 0.00 176.54 176.19 1wix n ALA 124 N -2.20 2.42 0.08 0.00 0.00 -0.96 -2.80 120.51 117.05 1wix n ALA 124 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.32 1wix n ALA 124 Cb 0.65 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.68 1wix n ALA 124 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wix n VAL 125 N -1.22 0.43 -2.60 0.00 0.24 -1.14 -4.15 118.33 109.89 1wix n VAL 125 Ca 0.15 -0.71 -0.08 0.00 -2.04 0.00 0.00 64.34 61.65 1wix n VAL 125 Cb 0.19 0.84 0.04 0.00 -1.47 0.00 0.00 33.84 33.44 1wix n VAL 125 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1wix n ASN 126 N 0.12 2.55 -3.15 -1.34 3.02 -1.12 -4.97 115.26 110.37 1wix n ASN 126 Ca 0.04 -2.60 -0.18 0.00 -0.03 0.00 0.00 54.58 51.81 1wix n ASN 126 Cb 0.21 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1wix n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wix h GLU 128 N 0.00 0.64 -0.01 0.00 4.11 -1.93 -3.06 114.58 114.33 1wix h GLU 128 Ca -0.23 -0.51 0.00 0.00 0.07 0.00 0.00 59.36 58.70 1wix h GLU 128 Cb 0.93 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1wix h GLU 128 CO 0.35 1.13 -0.20 1.63 0.07 0.00 0.00 179.01 181.99 1wix n LYS 129 N -3.91 0.87 -0.24 1.06 5.02 -1.26 -4.39 118.16 115.31 1wix n LYS 129 Ca -0.06 -0.47 0.02 0.00 -2.02 0.00 0.00 58.31 55.78 1wix n LYS 129 Cb 0.72 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.30 1wix n LYS 129 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1wix n LYS 130 N -0.65 -0.10 -0.18 1.97 2.85 -1.16 0.18 118.16 121.07 1wix n LYS 130 Ca 0.13 1.00 -0.02 0.00 -1.05 0.00 0.00 58.31 58.38 1wix n LYS 130 Cb 0.33 -1.49 0.05 0.00 -0.65 0.00 0.00 35.03 33.27 1wix n LYS 130 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1wix h GLN 131 N 0.00 0.02 -0.80 -1.58 4.20 -1.82 0.42 115.11 115.55 1wix h GLN 131 Ca 0.27 -0.00 0.23 0.00 0.06 0.00 0.00 58.65 59.21 1wix h GLN 131 Cb 0.44 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1wix h GLN 131 CO -0.66 0.01 0.78 1.49 -0.67 0.00 0.00 178.83 179.78 1wix h GLU 132 N 0.02 0.00 0.02 1.46 4.22 0.16 -0.56 114.58 119.90 1wix h GLU 132 Ca 0.27 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.39 1wix h GLU 132 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1wix h GLU 132 CO -0.55 0.00 -1.75 0.72 -2.18 0.00 0.00 179.01 175.25 1wix n HIS 133 N -3.68 0.78 -0.33 0.92 8.25 0.13 -4.29 115.22 117.00 1wix n HIS 133 Ca 0.17 0.29 0.27 0.00 -0.26 0.00 0.00 57.72 58.19 1wix n HIS 133 Cb 1.05 -1.08 0.52 0.00 1.12 0.00 0.00 29.99 31.59 1wix n HIS 133 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1wix h ILE 134 N -0.75 0.11 -0.99 1.59 5.03 0.66 1.13 117.51 124.29 1wix h ILE 134 Ca -0.45 -0.04 0.02 0.00 -0.12 0.00 0.00 64.86 64.27 1wix h ILE 134 Cb 1.54 -0.01 -0.05 0.00 -3.03 0.00 0.00 36.82 35.26 1wix h ILE 134 CO -0.20 0.02 0.65 0.07 -0.68 0.00 0.00 178.15 178.02 1wix h LYS 135 N 0.12 1.27 -0.32 2.37 2.10 -1.62 -1.52 116.57 118.97 1wix h LYS 135 Ca 0.78 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 59.35 1wix h LYS 135 Cb 1.93 -0.29 -0.02 0.00 -0.90 0.00 0.00 32.23 32.96 1wix h LYS 135 CO -0.72 0.84 0.20 -0.97 -2.00 0.00 0.00 179.45 176.80 1wix h ASN 136 N 1.30 0.37 0.09 7.07 -1.24 0.11 -2.61 115.58 120.69 1wix h ASN 136 Ca 0.38 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.37 1wix h ASN 136 Cb -0.08 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 38.87 1wix h ASN 136 CO -0.10 0.28 -0.04 0.40 -1.29 0.00 0.00 177.43 176.68 1wix h ILE 137 N 0.44 1.12 -1.00 2.57 5.03 -1.07 -2.85 117.51 121.75 1wix h ILE 137 Ca 0.12 -0.85 0.18 0.00 -0.12 0.00 0.00 64.86 64.19 1wix h ILE 137 Cb -0.03 1.66 -0.10 0.00 -3.03 0.00 0.00 36.82 35.31 1wix h ILE 137 CO -0.02 0.21 0.62 0.24 -0.68 0.00 0.00 178.15 178.51 1wix h MET 138 N -0.52 0.77 -0.30 2.37 2.86 -1.19 0.15 114.93 119.06 1wix h MET 138 Ca -0.01 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1wix h MET 138 Cb 0.43 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1wix h MET 138 CO 0.02 0.51 -0.06 1.79 1.06 0.00 0.00 176.91 180.23 1wix h THR 139 N 0.79 1.21 -2.19 2.22 1.35 -1.41 -3.45 112.91 111.42 1wix h THR 139 Ca 0.56 -0.86 -0.30 0.00 -0.55 0.00 0.00 66.41 65.27 1wix h THR 139 Cb 0.85 1.04 0.17 0.00 -1.73 0.00 0.00 68.15 68.47 1wix h THR 139 CO -0.36 0.29 -0.44 0.18 -0.25 0.00 0.00 175.52 174.94 1wix n LEU 140 N -4.25 -1.42 -4.73 3.87 4.77 0.53 -4.89 117.00 110.87 1wix n LEU 140 Ca 0.01 -0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.17 1wix n LEU 140 Cb 0.27 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 1wix n LEU 140 CO 0.39 -3.42 0.79 -0.70 -1.33 0.00 0.00 177.39 173.13 1wix s GLU 141 N -3.71 4.58 0.10 3.23 2.56 -1.26 -4.76 118.70 119.44 1wix s GLU 141 Ca 0.46 1.70 -0.20 0.00 0.00 0.00 0.00 54.97 56.92 1wix s GLU 141 Cb -0.08 -3.30 -0.04 0.00 2.00 0.00 0.00 34.13 32.70 1wix s GLU 141 CO 0.44 0.03 1.14 -1.91 -0.56 0.00 0.00 175.26 174.41 1wix n GLU 142 N 2.67 -0.28 -0.34 4.30 2.13 -1.26 0.18 120.64 128.04 1wix n GLU 142 Ca 0.04 1.12 0.20 0.00 0.66 0.00 0.00 57.16 59.18 1wix n GLU 142 Cb 0.47 -1.65 0.43 0.00 0.27 0.00 0.00 31.44 30.95 1wix n GLU 142 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1wix h SER 143 N 0.00 0.60 0.38 4.31 0.02 -2.02 -1.89 113.55 114.96 1wix h SER 143 Ca 0.10 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1wix h SER 143 Cb 0.26 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1wix h SER 143 CO -0.60 0.07 -0.18 0.58 -1.14 0.00 0.00 176.83 175.55 1wix h VAL 144 N 0.50 0.25 -1.29 2.27 2.07 0.16 -3.20 116.25 117.02 1wix h VAL 144 Ca 0.65 -0.67 0.43 0.00 0.82 0.00 0.00 66.70 67.93 1wix h VAL 144 Cb 1.37 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 31.43 1wix h VAL 144 CO -0.46 0.06 0.85 0.00 0.02 0.00 0.00 177.57 178.04 1wix n GLN 145 N -5.13 -0.03 0.42 1.57 6.02 0.93 0.02 117.38 121.19 1wix n GLN 145 Ca -0.08 1.06 -0.17 0.00 -0.01 0.00 0.00 57.00 57.81 1wix n GLN 145 Cb 0.25 -2.15 -0.08 0.00 1.02 0.00 0.00 30.24 29.28 1wix n GLN 145 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1wix h HIS 146 N 0.00 -1.00 -0.32 1.08 -0.00 -1.46 0.48 115.15 113.94 1wix h HIS 146 Ca 0.77 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 61.17 1wix h HIS 146 Cb 2.61 0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 30.30 1wix h HIS 146 CO -0.00 -0.62 0.05 0.28 -0.00 0.00 0.00 177.93 177.63 1wix h VAL 147 N -1.08 0.82 -0.94 5.26 2.07 -0.49 0.78 116.25 122.68 1wix h VAL 147 Ca -0.11 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1wix h VAL 147 Cb 0.83 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1wix h VAL 147 CO 0.18 0.03 0.58 0.58 0.02 0.00 0.00 177.57 178.96 1wix h VAL 148 N 0.16 1.25 0.00 2.57 2.07 -1.28 -0.22 116.25 120.80 1wix h VAL 148 Ca 0.15 -0.53 -0.15 0.00 0.82 0.00 0.00 66.70 66.99 1wix h VAL 148 Cb 0.18 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1wix h VAL 148 CO -0.22 0.26 -0.70 0.24 0.02 0.00 0.00 177.57 177.17 1wix h MET 149 N 1.29 0.00 -0.22 1.57 2.86 0.74 -3.25 114.93 117.92 1wix h MET 149 Ca 0.34 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.77 1wix h MET 149 Cb -0.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.59 1wix h MET 149 CO -0.07 0.70 -0.66 1.15 1.06 0.00 0.00 176.91 179.10 1wix h THR 150 N 0.00 1.28 -0.58 2.22 2.02 0.12 -3.25 112.91 114.72 1wix h THR 150 Ca -0.01 -1.85 0.12 0.00 0.77 0.00 0.00 66.41 65.44 1wix h THR 150 Cb 1.35 1.82 -0.10 0.00 -1.74 0.00 0.00 68.15 69.48 1wix h THR 150 CO 0.09 0.59 -0.01 0.00 0.37 0.00 0.00 175.52 176.56 1wix h ALA 151 N 0.61 0.55 -0.14 6.16 0.00 -1.09 -1.60 119.26 123.75 1wix h ALA 151 Ca -0.02 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1wix h ALA 151 Cb 1.28 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 1wix h ALA 151 CO 0.14 -0.39 -0.37 0.82 0.00 0.00 0.00 179.25 179.44 1wix h ILE 152 N 0.11 0.21 -0.28 0.00 5.03 -1.65 0.14 117.51 121.05 1wix h ILE 152 Ca 0.30 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 65.10 1wix h ILE 152 Cb 0.48 0.21 -0.06 0.00 -3.03 0.00 0.00 36.82 34.41 1wix h ILE 152 CO -0.50 0.00 -0.14 1.56 -0.68 0.00 0.00 178.15 178.39 1wix h GLN 153 N -0.45 -0.10 -0.60 2.37 1.08 -1.45 -0.33 115.11 115.63 1wix h GLN 153 Ca 0.09 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.36 1wix h GLN 153 Cb 0.59 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 1wix h GLN 153 CO -0.38 -0.06 0.40 1.49 -0.95 0.00 0.00 178.83 179.33 1wix h GLU 154 N -0.10 0.56 -0.45 1.46 4.81 -0.69 -0.78 114.58 119.40 1wix h GLU 154 Ca 0.15 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1wix h GLU 154 Cb 0.32 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1wix h GLU 154 CO -0.34 0.37 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.15 1wix h LEU 155 N 0.58 0.79 -0.35 1.64 3.38 0.92 0.27 115.31 122.55 1wix h LEU 155 Ca 0.26 -0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1wix h LEU 155 Cb 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wix h LEU 155 CO -0.08 0.91 -0.72 0.24 0.09 0.00 0.00 178.44 178.88 1wix h MET 156 N 0.73 0.53 0.00 1.13 2.86 -0.21 -2.78 114.93 117.19 1wix h MET 156 Ca 0.13 -0.42 -0.11 0.00 -2.06 0.00 0.00 59.70 57.24 1wix h MET 156 Cb 0.57 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1wix h MET 156 CO 0.04 1.05 -0.51 1.03 1.06 0.00 0.00 176.91 179.57 1wix h SER 157 N 0.36 0.00 -0.44 1.22 0.87 -1.01 -3.09 113.55 111.47 1wix h SER 157 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1wix h SER 157 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1wix h SER 157 CO 0.13 0.51 0.00 0.29 -0.53 0.00 0.00 176.83 177.23 1wix n LYS 158 N -3.27 2.10 -3.52 2.24 4.76 0.93 -4.88 118.16 116.53 1wix n LYS 158 Ca 0.02 -1.61 -0.23 0.00 -2.87 0.00 0.00 58.31 53.62 1wix n LYS 158 Cb 0.72 -1.38 0.01 0.00 -1.84 0.00 0.00 35.03 32.54 1wix n LYS 158 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1wix s SER 159 N -0.97 4.90 -0.53 4.39 0.01 -1.06 -1.20 113.70 119.25 1wix s SER 159 Ca 0.30 -0.99 -0.34 0.00 1.31 0.00 0.00 55.95 56.23 1wix s SER 159 Cb 0.16 0.15 -0.14 0.00 0.21 0.00 0.00 66.02 66.40 1wix s SER 159 CO 0.19 -1.08 2.34 0.61 0.41 0.00 0.00 173.24 175.71 1wix n GLY 160 N -1.88 0.14 0.24 3.44 0.00 -1.21 -4.81 105.19 101.11 1wix n GLY 160 Ca 0.05 0.96 -0.13 0.00 0.00 0.00 0.00 46.02 46.90 1wix n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wix h PRO 161 N 13.15 0.83 -6.23 1.61 0.13 -1.89 -3.45 132.00 136.15 1wix h PRO 161 Ca -0.20 -0.44 -0.62 0.00 -0.87 0.00 0.00 66.00 63.87 1wix h PRO 161 Cb 1.32 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 32.19 1wix h PRO 161 CO 1.13 1.08 -0.86 -1.54 -0.23 0.00 0.00 178.00 177.58 1wix s SER 162 N -6.71 2.64 -0.07 1.44 1.04 -1.26 -5.14 113.70 105.64 1wix s SER 162 Ca -0.12 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 55.77 1wix s SER 162 Cb 0.10 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.98 1wix s SER 162 CO 0.86 0.24 0.22 -0.55 0.98 0.00 0.00 173.24 174.98 1wix s SER 163 N -0.82 -0.20 0.00 7.02 0.15 -1.26 -5.11 113.70 113.49 1wix s SER 163 Ca 0.09 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1wix s SER 163 Cb -0.09 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1wix s SER 163 CO 0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92