#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 -1.55 -3.71 1.61 7.64 -1.26 -5.04 113.62 111.30 1wix n SER 2 Ca 0.00 0.04 -0.14 0.00 1.01 0.00 0.00 58.87 59.78 1wix n SER 2 Cb 0.00 -1.22 -0.14 0.00 -1.01 0.00 0.00 64.21 61.84 1wix n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wix s SER 3 N -2.24 0.09 0.00 6.43 1.04 -1.26 -5.11 113.70 112.64 1wix s SER 3 Ca 0.63 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1wix s SER 3 Cb -0.21 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1wix s SER 3 CO 0.64 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.29 1wix n GLY 4 N 4.60 -1.23 3.52 7.32 0.00 -1.26 -5.08 105.19 113.06 1wix n GLY 4 Ca -0.19 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.64 1wix n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wix s SER 5 N -4.00 -0.32 0.07 1.61 0.01 -1.26 -5.19 113.70 104.62 1wix s SER 5 Ca 0.00 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 1wix s SER 5 Cb 0.00 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.78 1wix s SER 5 CO 0.00 -1.05 0.00 -0.44 0.41 0.00 0.00 173.24 172.16 1wix s SER 6 N -2.85 0.43 0.00 2.44 0.01 -1.26 -5.15 113.70 107.33 1wix s SER 6 Ca 0.07 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1wix s SER 6 Cb -0.01 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1wix s SER 6 CO -0.04 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.58 1wix n GLY 7 N 0.07 2.05 3.90 3.44 0.00 -1.26 -5.01 105.19 108.37 1wix n GLY 7 Ca -0.13 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 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 2.80 -0.02 0.99 2.34 -1.26 -4.85 118.68 118.68 1wix s LEU 8 Ca 0.00 0.93 -0.25 0.00 0.06 0.00 0.00 54.13 54.86 1wix s LEU 8 Cb 0.00 -3.62 -0.20 0.00 -0.56 0.00 0.00 46.19 41.81 1wix s LEU 8 CO 0.00 -1.51 1.24 1.55 -1.06 0.00 0.00 176.35 176.56 1wix h PRO 9 N -0.73 -0.04 -1.75 1.48 0.13 -1.95 0.60 132.00 129.74 1wix h PRO 9 Ca -0.45 0.00 0.51 0.00 -0.87 0.00 0.00 66.00 65.19 1wix h PRO 9 Cb 1.28 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 1wix h PRO 9 CO 0.64 0.42 1.25 1.25 -0.23 0.00 0.00 178.00 181.33 1wix h LEU 10 N -0.53 0.03 0.00 1.56 5.85 -1.95 0.37 115.31 120.64 1wix h LEU 10 Ca -0.00 0.02 -0.27 0.00 0.84 0.00 0.00 57.88 58.46 1wix h LEU 10 Cb 0.49 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1wix h LEU 10 CO 0.01 -0.02 -2.02 0.00 -0.34 0.00 0.00 178.44 176.07 1wix n ASP 12 N -2.84 0.00 -0.03 0.00 2.03 0.21 -2.56 116.55 113.37 1wix n ASP 12 Ca -0.29 -0.12 -0.06 0.00 0.52 0.00 0.00 54.79 54.84 1wix n ASP 12 Cb 0.89 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 41.11 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 -1.16 0.92 -0.35 1.67 7.64 0.10 -4.70 113.62 117.74 1wix n SER 13 Ca 0.08 0.06 0.11 0.00 1.01 0.00 0.00 58.87 60.12 1wix n SER 13 Cb 0.08 -0.16 0.29 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.18 0.84 -0.81 -3.43 3.38 -1.60 -0.98 115.31 112.52 1wix h LEU 14 Ca -0.15 0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.09 1wix h LEU 14 Cb 1.14 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 1wix h LEU 14 CO -0.08 0.37 0.25 0.40 0.09 0.00 0.00 178.44 179.47 1wix h ILE 15 N 0.86 0.46 -0.25 1.22 2.04 -1.77 0.47 117.51 120.54 1wix h ILE 15 Ca 0.54 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 66.27 1wix h ILE 15 Cb 0.73 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1wix h ILE 15 CO -0.32 0.05 0.05 0.40 0.00 0.00 0.00 178.15 178.33 1wix h ILE 16 N 0.30 1.13 0.05 -0.67 2.04 -1.46 -1.27 117.51 117.63 1wix h ILE 16 Ca 0.48 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1wix h ILE 16 Cb 0.88 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1wix h ILE 16 CO -0.55 0.16 -0.03 -0.25 0.00 0.00 0.00 178.15 177.49 1wix h TRP 17 N 0.36 -0.07 0.00 1.37 7.01 -0.11 -3.10 115.95 121.42 1wix h TRP 17 Ca 0.09 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1wix h TRP 17 Cb 0.16 0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1wix h TRP 17 CO 0.00 0.45 -0.00 1.25 -2.79 0.00 0.00 178.44 177.35 1wix h LEU 18 N -0.64 0.00 -1.21 0.65 7.12 -0.97 -2.23 115.31 118.04 1wix h LEU 18 Ca -0.01 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 1wix h LEU 18 Cb 0.55 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 1wix h LEU 18 CO 0.01 0.00 0.30 1.56 -0.13 0.00 0.00 178.44 180.19 1wix h GLN 19 N 0.00 0.85 -0.27 1.25 4.20 -1.15 -2.12 115.11 117.87 1wix h GLN 19 Ca -0.00 -0.10 0.08 0.00 0.06 0.00 0.00 58.65 58.69 1wix h GLN 19 Cb 0.17 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1wix h GLN 19 CO 0.00 0.65 0.72 1.79 -0.67 0.00 0.00 178.83 181.32 1wix h THR 20 N 0.85 0.07 -3.19 -0.54 1.35 -1.49 -3.33 112.91 106.64 1wix h THR 20 Ca 0.21 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.39 1wix h THR 20 Cb 0.08 0.34 -0.18 0.00 -1.73 0.00 0.00 68.15 66.65 1wix h THR 20 CO -0.03 0.00 0.07 -0.36 -0.25 0.00 0.00 175.52 174.95 1wix s PHE 21 N -4.23 3.03 -0.20 4.73 0.40 -0.80 -4.91 117.98 116.01 1wix s PHE 21 Ca -0.02 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.72 1wix s PHE 21 Cb 0.08 -3.63 0.11 0.00 0.51 0.00 0.00 43.02 40.10 1wix s PHE 21 CO 0.28 -1.09 1.08 0.36 0.70 0.00 0.00 175.22 176.56 1wix n LYS 22 N 6.23 1.28 -0.93 0.44 2.85 -1.25 -4.91 118.16 121.87 1wix n LYS 22 Ca -0.07 -0.50 -0.37 0.00 -1.05 0.00 0.00 58.31 56.32 1wix n LYS 22 Cb 0.45 -1.26 0.06 0.00 -0.65 0.00 0.00 35.03 33.63 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 0.21 0.00 0.28 0.58 -2.24 -1.26 -4.66 114.28 107.19 1wix n THR 23 Ca 0.09 -0.17 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 1wix n THR 23 Cb 0.65 -0.15 0.63 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.24 1.64 -3.25 6.98 0.00 -1.98 -3.37 119.26 118.05 1wix h ALA 24 Ca -0.43 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.84 1wix h ALA 24 Cb 1.37 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.96 1wix h ALA 24 CO 0.26 -0.57 -0.64 0.45 0.00 0.00 0.00 179.25 178.75 1wix s SER 25 N -4.20 5.04 1.13 0.00 0.15 -1.26 -5.11 113.70 109.44 1wix s SER 25 Ca -0.03 -0.09 -0.11 0.00 0.70 0.00 0.00 55.95 56.43 1wix s SER 25 Cb 0.08 -1.84 0.16 0.00 -1.71 0.00 0.00 66.02 62.70 1wix s SER 25 CO 0.26 0.14 0.57 -0.81 1.20 0.00 0.00 173.24 174.60 1wix n PRO 26 N 3.72 -2.13 -3.15 5.44 -0.04 -1.26 -4.79 135.00 132.80 1wix n PRO 26 Ca -0.17 -0.91 0.04 0.00 -0.04 0.00 0.00 63.50 62.43 1wix n PRO 26 Cb 0.52 -0.85 -0.01 0.00 -0.04 0.00 0.00 33.50 33.13 1wix n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wix n GLN 28 N 5.38 0.00 -3.99 0.00 1.13 -1.26 -4.85 117.38 113.79 1wix n GLN 28 Ca 0.02 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.86 1wix n GLN 28 Cb 0.54 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.86 1wix n GLN 28 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1wix s ASP 29 N -2.51 6.18 0.45 1.08 2.15 -1.26 -4.99 116.67 117.77 1wix s ASP 29 Ca 0.00 0.03 0.16 0.00 0.43 0.00 0.00 52.55 53.17 1wix s ASP 29 Cb 0.00 -1.79 1.10 0.00 -0.30 0.00 0.00 42.92 41.94 1wix s ASP 29 CO 0.00 -0.05 1.97 -0.37 -0.17 0.00 0.00 175.17 176.55 1wix h VAL 30 N 1.30 0.84 0.00 1.11 -1.51 -1.96 0.44 116.25 116.47 1wix h VAL 30 Ca -0.51 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1wix h VAL 30 Cb 1.23 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1wix h VAL 30 CO 0.62 0.06 0.00 0.29 -1.23 0.00 0.00 177.57 177.31 1wix n LYS 31 N -4.46 0.05 -0.03 5.19 5.02 -1.26 -2.00 118.16 120.66 1wix n LYS 31 Ca 0.11 0.17 -0.01 0.00 -2.02 0.00 0.00 58.31 56.55 1wix n LYS 31 Cb 0.46 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 1wix n LYS 31 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1wix n GLN 32 N -1.46 0.66 0.02 1.97 6.02 0.15 -4.30 117.38 120.43 1wix n GLN 32 Ca 0.05 0.04 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1wix n GLN 32 Cb 0.21 -1.63 -0.14 0.00 1.02 0.00 0.00 30.24 29.70 1wix n GLN 32 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1wix h LEU 33 N 0.00 0.11 -1.76 1.08 -0.00 -1.19 -3.34 115.31 110.22 1wix h LEU 33 Ca -0.27 -0.18 0.51 0.00 -0.00 0.00 0.00 57.88 57.94 1wix h LEU 33 Cb 1.70 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 42.25 1wix h LEU 33 CO 0.03 1.15 1.33 0.35 -0.00 0.00 0.00 178.44 181.30 1wix n THR 34 N -3.24 0.00 -0.31 0.22 -2.24 -0.85 -0.88 114.28 106.99 1wix n THR 34 Ca -0.13 1.38 0.08 0.00 -2.27 0.00 0.00 64.05 63.11 1wix n THR 34 Cb 1.02 -2.32 0.18 0.00 -2.10 0.00 0.00 70.33 67.10 1wix n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wix n ASN 35 N -3.72 -0.22 0.00 3.42 4.05 -1.25 -4.78 115.26 112.75 1wix n ASN 35 Ca 0.39 1.48 0.00 0.00 0.45 0.00 0.00 54.58 56.90 1wix n ASN 35 Cb 1.85 -0.49 0.00 0.00 1.23 0.00 0.00 39.78 42.38 1wix n ASN 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wix n GLY 36 N -1.50 0.53 0.09 8.20 0.00 -0.06 -4.13 105.19 108.32 1wix n GLY 36 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1wix n GLY 36 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wix n VAL 37 N -2.00 1.48 -0.66 1.61 0.31 -1.26 -3.78 118.33 114.02 1wix n VAL 37 Ca 0.00 0.12 0.51 0.00 -0.01 0.00 0.00 64.34 64.96 1wix n VAL 37 Cb 0.00 -2.31 0.79 0.00 -0.91 0.00 0.00 33.84 31.41 1wix n VAL 37 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1wix h THR 38 N -1.00 0.00 0.11 2.52 2.02 -1.86 1.09 112.91 115.79 1wix h THR 38 Ca -0.08 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.96 1wix h THR 38 Cb 0.89 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1wix h THR 38 CO -0.05 0.00 -0.65 0.24 0.37 0.00 0.00 175.52 175.44 1wix h MET 39 N 0.00 0.23 -0.67 6.66 2.86 -1.88 -3.12 114.93 119.00 1wix h MET 39 Ca 0.90 -0.39 -0.05 0.00 -2.06 0.00 0.00 59.70 58.09 1wix h MET 39 Cb 3.71 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 35.49 1wix h MET 39 CO -0.01 1.19 0.21 0.00 1.06 0.00 0.00 176.91 179.36 1wix h ALA 40 N 0.06 1.11 -0.06 6.32 0.00 0.99 -2.26 119.26 125.41 1wix h ALA 40 Ca -0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1wix h ALA 40 Cb 1.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1wix h ALA 40 CO 0.11 0.61 -0.22 1.96 0.00 0.00 0.00 179.25 181.71 1wix h GLN 41 N 0.99 0.10 -0.14 0.00 4.20 -0.88 -2.71 115.11 116.67 1wix h GLN 41 Ca 0.22 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.69 1wix h GLN 41 Cb 0.28 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.05 1wix h GLN 41 CO -0.01 0.32 -0.75 0.28 -0.67 0.00 0.00 178.83 178.00 1wix h VAL 42 N 0.09 1.30 -0.17 -0.54 2.07 -1.35 -3.13 116.25 114.52 1wix h VAL 42 Ca 0.02 -2.00 -0.00 0.00 0.82 0.00 0.00 66.70 65.53 1wix h VAL 42 Cb 0.45 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1wix h VAL 42 CO 0.03 0.63 0.10 -0.07 0.02 0.00 0.00 177.57 178.28 1wix h LEU 43 N 0.48 0.20 -1.31 2.57 3.38 -1.11 0.03 115.31 119.54 1wix h LEU 43 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wix h LEU 43 Cb 1.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1wix h LEU 43 CO 0.15 0.16 0.00 -0.74 0.09 0.00 0.00 178.44 178.10 1wix h HIS 44 N 0.23 0.00 0.07 1.13 2.76 -1.46 -2.47 115.15 115.41 1wix h HIS 44 Ca 0.06 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.89 1wix h HIS 44 Cb -0.00 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.92 1wix h HIS 44 CO 0.00 0.00 -1.95 1.04 -1.30 0.00 0.00 177.93 175.72 1wix n GLN 45 N -2.47 0.70 0.34 5.26 6.02 -0.02 -3.42 117.38 123.81 1wix n GLN 45 Ca 0.00 0.25 -0.13 0.00 -0.01 0.00 0.00 57.00 57.11 1wix n GLN 45 Cb 0.16 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.64 1wix n GLN 45 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1wix h ILE 46 N 0.04 0.00 -2.59 5.09 2.04 -1.24 -3.39 117.51 117.45 1wix h ILE 46 Ca -0.39 -0.03 -0.60 0.00 1.00 0.00 0.00 64.86 64.84 1wix h ILE 46 Cb 2.03 0.00 -0.39 0.00 -0.74 0.00 0.00 36.82 37.72 1wix h ILE 46 CO 0.07 0.00 -0.85 -0.62 0.00 0.00 0.00 178.15 176.75 1wix s ASP 47 N -3.39 2.51 0.60 1.72 -1.08 -1.12 -4.89 116.67 111.01 1wix s ASP 47 Ca -0.13 -3.31 0.28 0.00 -0.52 0.00 0.00 52.55 48.87 1wix s ASP 47 Cb 0.01 -0.82 1.25 0.00 -1.46 0.00 0.00 42.92 41.90 1wix s ASP 47 CO 0.38 -0.14 1.64 1.62 0.52 0.00 0.00 175.17 179.19 1wix h VAL 48 N 4.56 0.19 -0.29 1.11 3.04 -1.74 0.56 116.25 123.68 1wix h VAL 48 Ca 0.23 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.83 1wix h VAL 48 Cb 0.86 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1wix h VAL 48 CO 0.48 0.00 -0.16 0.00 -1.01 0.00 0.00 177.57 176.88 1wix h ALA 49 N 1.05 0.40 0.00 3.17 0.00 -1.92 -2.84 119.26 119.11 1wix h ALA 49 Ca 0.33 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1wix h ALA 49 Cb 1.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1wix h ALA 49 CO -0.00 0.31 -0.96 2.35 0.00 0.00 0.00 179.25 180.94 1wix h TRP 50 N 0.35 0.00 -2.81 0.00 2.91 -0.49 -3.40 115.95 112.51 1wix h TRP 50 Ca 0.06 0.00 -0.61 0.00 1.13 0.00 0.00 58.89 59.47 1wix h TRP 50 Cb 0.69 0.00 -0.40 0.00 -0.51 0.00 0.00 29.16 28.94 1wix h TRP 50 CO 0.06 0.28 -0.74 -0.06 -1.03 0.00 0.00 178.44 176.95 1wix s PHE 51 N -3.13 2.44 0.35 2.65 0.08 0.11 -4.98 117.98 115.50 1wix s PHE 51 Ca 0.00 -2.85 0.06 0.00 0.12 0.00 0.00 56.93 54.27 1wix s PHE 51 Cb 0.08 -1.94 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 1wix s PHE 51 CO 0.78 -0.68 0.49 0.45 -0.10 0.00 0.00 175.22 176.15 1wix s SER 52 N -0.65 5.94 0.58 1.36 0.15 -1.08 -4.21 113.70 115.79 1wix s SER 52 Ca 0.27 -0.19 0.35 0.00 0.70 0.00 0.00 55.95 57.09 1wix s SER 52 Cb -0.04 -1.19 1.37 0.00 -1.71 0.00 0.00 66.02 64.44 1wix s SER 52 CO -0.15 -0.47 1.58 -0.33 1.20 0.00 0.00 173.24 175.07 1wix h GLU 53 N 0.85 0.00 -0.75 5.44 5.08 -1.97 0.66 114.58 123.89 1wix h GLU 53 Ca -0.45 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1wix h GLU 53 Cb 1.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1wix h GLU 53 CO 0.52 0.00 0.50 0.77 -1.00 0.00 0.00 179.01 179.80 1wix h SER 54 N 0.00 0.86 0.04 1.42 0.02 -1.98 0.37 113.55 114.29 1wix h SER 54 Ca 0.57 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1wix h SER 54 Cb 2.70 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 65.03 1wix h SER 54 CO -0.01 0.62 -0.02 -0.25 -1.14 0.00 0.00 176.83 176.03 1wix h TRP 55 N 1.01 -0.05 0.00 3.45 7.01 -0.04 -3.26 115.95 124.07 1wix h TRP 55 Ca 0.28 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.28 1wix h TRP 55 Cb -0.11 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 1wix h TRP 55 CO -0.02 0.51 0.00 1.25 -2.79 0.00 0.00 178.44 177.39 1wix h LEU 56 N -0.96 0.00 -0.43 0.65 5.85 -1.46 -0.26 115.31 118.71 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 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 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 -2.57 0.45 0.00 1.25 7.64 0.13 -1.90 113.62 118.63 1wix n SER 57 Ca -0.02 0.60 0.11 0.00 1.01 0.00 0.00 58.87 60.58 1wix n SER 57 Cb 0.07 -0.70 0.15 0.00 -1.01 0.00 0.00 64.21 62.71 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 -1.99 0.02 -3.26 1.43 5.12 -0.11 -4.89 116.66 112.98 1wix n ARG 58 Ca 0.03 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.57 1wix n ARG 58 Cb 0.22 -1.51 -0.06 0.00 -1.16 0.00 0.00 32.46 29.96 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 -3.01 4.72 0.22 0.55 -1.09 -0.80 -4.93 121.20 116.86 1wix s ILE 59 Ca 0.10 1.21 0.11 0.00 -2.23 0.00 0.00 60.65 59.84 1wix s ILE 59 Cb 0.17 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 1wix s ILE 59 CO 0.75 0.51 -0.22 -0.54 -1.23 0.00 0.00 174.94 174.21 1wix s LYS 60 N -1.23 1.61 -0.08 2.79 1.02 -1.26 -5.04 119.74 117.55 1wix s LYS 60 Ca 0.31 -1.59 0.12 0.00 0.02 0.00 0.00 55.97 54.82 1wix s LYS 60 Cb -0.19 -1.84 0.18 0.00 -0.52 0.00 0.00 37.83 35.46 1wix s LYS 60 CO 0.19 0.38 1.07 -3.47 -0.92 0.00 0.00 175.35 172.61 1wix n ASP 61 N -0.05 1.99 0.00 2.83 -0.08 -1.26 -4.65 116.55 115.33 1wix n ASP 61 Ca -0.10 -2.62 0.15 0.00 -1.51 0.00 0.00 54.79 50.70 1wix n ASP 61 Cb 0.57 -0.28 0.76 0.00 2.34 0.00 0.00 41.12 44.52 1wix n ASP 61 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1wix n ASP 62 N -1.01 0.00 -0.17 1.67 9.92 -1.26 -3.95 116.55 121.74 1wix n ASP 62 Ca 0.10 -0.19 0.26 0.00 -0.53 0.00 0.00 54.79 54.43 1wix n ASP 62 Cb 0.53 -0.27 0.43 0.00 -0.64 0.00 0.00 41.12 41.17 1wix n ASP 62 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1wix h VAL 63 N 0.00 0.02 -0.33 2.53 -1.51 -1.83 -2.77 116.25 112.36 1wix h VAL 63 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.51 1wix h VAL 63 Cb 0.26 0.03 -0.04 0.00 -2.13 0.00 0.00 31.29 29.41 1wix h VAL 63 CO 0.00 0.00 -0.17 0.61 -1.23 0.00 0.00 177.57 176.78 1wix n GLY 64 N -1.70 -0.79 0.40 5.19 0.00 -1.25 0.14 105.19 107.19 1wix n GLY 64 Ca 0.21 0.38 0.08 0.00 0.00 0.00 0.00 46.02 46.69 1wix n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wix n ASP 65 N -4.44 1.71 -4.35 1.61 8.00 -1.05 -4.95 116.55 113.09 1wix n ASP 65 Ca 0.02 -1.36 -0.32 0.00 0.71 0.00 0.00 54.79 53.84 1wix n ASP 65 Cb 0.10 0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 41.42 1wix n ASP 65 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1wix s ASN 66 N -1.71 3.54 0.01 -2.24 0.01 0.38 -5.01 114.94 109.92 1wix s ASN 66 Ca 0.14 -0.38 0.21 0.00 -0.71 0.00 0.00 52.86 52.12 1wix s ASN 66 Cb 0.12 -1.00 -0.25 0.00 0.41 0.00 0.00 41.25 40.53 1wix s ASN 66 CO 0.34 0.26 0.58 -2.67 -1.51 0.00 0.00 177.10 174.09 1wix n TRP 67 N 2.89 0.26 -0.06 2.20 4.27 -1.26 -4.09 117.44 121.65 1wix n TRP 67 Ca -0.17 0.08 -0.13 0.00 -3.89 0.00 0.00 57.50 53.38 1wix n TRP 67 Cb 0.52 -0.68 -0.07 0.00 -1.36 0.00 0.00 31.31 29.73 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 0.37 -1.21 -2.67 3.08 -1.94 -3.09 114.38 108.92 1wix h ARG 68 Ca -0.06 -0.19 0.36 0.00 0.07 0.00 0.00 59.98 60.15 1wix h ARG 68 Cb 1.15 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.11 1wix h ARG 68 CO 0.01 0.75 0.80 0.82 -1.07 0.00 0.00 179.97 181.27 1wix h ILE 69 N 0.00 0.33 0.77 2.04 2.04 -1.94 -1.03 117.51 119.72 1wix h ILE 69 Ca 0.02 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1wix h ILE 69 Cb 0.68 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1wix h ILE 69 CO 0.04 0.04 -0.37 0.11 0.00 0.00 0.00 178.15 177.96 1wix h LYS 70 N 0.20 -1.00 -0.67 2.37 1.57 -1.69 -2.74 116.57 114.60 1wix h LYS 70 Ca 0.69 0.07 0.13 0.00 -1.87 0.00 0.00 60.65 59.67 1wix h LYS 70 Cb 2.12 0.23 -0.13 0.00 0.08 0.00 0.00 32.23 34.53 1wix h LYS 70 CO -0.29 -0.67 -0.21 0.00 -0.57 0.00 0.00 179.45 177.72 1wix h ALA 71 N -1.49 0.36 -0.97 3.86 0.00 -1.29 0.51 119.26 120.23 1wix h ALA 71 Ca -0.11 0.25 0.24 0.00 0.00 0.00 0.00 54.91 55.30 1wix h ALA 71 Cb 0.79 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 1wix h ALA 71 CO 0.17 -0.47 0.65 0.77 0.00 0.00 0.00 179.25 180.37 1wix h SER 72 N -0.03 0.35 0.07 0.00 0.02 -1.40 -0.81 113.55 111.76 1wix h SER 72 Ca 0.31 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1wix h SER 72 Cb 0.52 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1wix h SER 72 CO -0.71 0.11 -0.04 0.78 -1.14 0.00 0.00 176.83 175.83 1wix h ASN 73 N 0.33 -0.08 -1.14 3.07 2.35 0.24 -3.26 115.58 117.08 1wix h ASN 73 Ca 0.52 -0.08 0.37 0.00 -0.55 0.00 0.00 56.30 56.56 1wix h ASN 73 Cb 1.43 0.02 -0.14 0.00 0.05 0.00 0.00 38.32 39.68 1wix h ASN 73 CO -0.19 0.44 0.70 -0.07 -1.65 0.00 0.00 177.43 176.66 1wix h LEU 74 N -1.02 0.37 0.52 1.61 4.07 -0.56 0.16 115.31 120.46 1wix h LEU 74 Ca -0.01 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 1wix h LEU 74 Cb 0.16 0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 1wix h LEU 74 CO 0.02 -0.16 -0.30 0.11 -1.08 0.00 0.00 178.44 177.03 1wix h LYS 75 N 0.20 -0.74 0.34 1.13 1.57 -1.26 -0.64 116.57 117.16 1wix h LYS 75 Ca 0.76 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.58 1wix h LYS 75 Cb 2.09 0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.57 1wix h LYS 75 CO -0.50 -0.49 -0.16 0.87 -0.57 0.00 0.00 179.45 178.59 1wix h LYS 76 N -0.77 -0.44 -0.79 3.15 1.57 -0.80 -0.23 116.57 118.26 1wix h LYS 76 Ca -0.06 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 58.93 1wix h LYS 76 Cb 0.62 0.10 -0.12 0.00 0.08 0.00 0.00 32.23 32.91 1wix h LYS 76 CO 0.08 -0.28 0.23 0.28 -0.57 0.00 0.00 179.45 179.19 1wix h VAL 77 N -0.48 0.48 0.51 0.50 2.07 -1.08 0.59 116.25 118.85 1wix h VAL 77 Ca -0.05 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1wix h VAL 77 Cb 0.36 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1wix h VAL 77 CO 0.08 0.05 -0.25 0.25 0.02 0.00 0.00 177.57 177.72 1wix h LEU 78 N 0.29 -0.58 -2.02 2.57 6.46 -0.86 -2.94 115.31 118.23 1wix h LEU 78 Ca 0.46 -0.06 0.14 0.00 -0.12 0.00 0.00 57.88 58.30 1wix h LEU 78 Cb 0.83 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1wix h LEU 78 CO -0.54 -0.20 0.36 -0.74 -0.62 0.00 0.00 178.44 176.71 1wix h HIS 79 N -1.05 0.00 0.00 1.25 2.76 -0.46 0.14 115.15 117.79 1wix h HIS 79 Ca -0.07 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.02 1wix h HIS 79 Cb 0.60 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1wix h HIS 79 CO 0.01 0.00 -0.39 0.78 -1.30 0.00 0.00 177.93 177.03 1wix h GLY 80 N 0.00 0.00 0.16 5.26 0.00 0.29 -2.09 103.07 106.68 1wix h GLY 80 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.31 1wix h GLY 80 CO -0.00 0.00 -1.32 -2.22 0.00 0.00 0.00 176.54 172.99 1wix h ILE 81 N 0.00 0.93 -0.67 2.60 2.04 -0.63 -3.22 117.51 118.56 1wix h ILE 81 Ca -0.00 -2.24 0.07 0.00 1.00 0.00 0.00 64.86 63.69 1wix h ILE 81 Cb 0.73 2.39 -0.04 0.00 -0.74 0.00 0.00 36.82 39.16 1wix h ILE 81 CO 0.05 0.47 0.45 0.71 0.00 0.00 0.00 178.15 179.82 1wix h THR 82 N -0.75 0.98 -0.13 -0.27 1.35 -1.21 -1.36 112.91 111.53 1wix h THR 82 Ca -0.34 -0.22 -0.19 0.00 -0.55 0.00 0.00 66.41 65.12 1wix h THR 82 Cb 1.46 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1wix h THR 82 CO -0.12 0.12 -0.69 -1.28 -0.25 0.00 0.00 175.52 173.30 1wix h SER 83 N 0.63 0.63 0.40 5.36 0.87 -1.54 -2.83 113.55 117.08 1wix h SER 83 Ca 0.30 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1wix h SER 83 Cb 0.35 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1wix h SER 83 CO -0.10 1.14 0.00 0.00 -0.53 0.00 0.00 176.83 177.34 1wix n TYR 84 N -3.89 0.28 -0.06 2.24 4.19 -0.54 0.48 117.16 119.86 1wix n TYR 84 Ca -0.05 0.12 -0.15 0.00 3.31 0.00 0.00 57.90 61.14 1wix n TYR 84 Cb 0.69 -0.69 -0.14 0.00 0.49 0.00 0.00 39.34 39.68 1wix n TYR 84 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1wix n TYR 85 N -1.76 0.55 0.05 2.98 4.01 -1.04 -1.80 117.16 120.15 1wix n TYR 85 Ca 0.02 0.15 0.02 0.00 -0.16 0.00 0.00 57.90 57.93 1wix n TYR 85 Cb 0.13 -1.08 -0.07 0.00 -0.31 0.00 0.00 39.34 38.01 1wix n TYR 85 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1wix h HIS 86 N 0.02 0.00 0.00 -0.72 3.86 -0.76 2.17 115.15 119.73 1wix h HIS 86 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 1wix h HIS 86 Cb 2.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.52 1wix h HIS 86 CO 0.03 0.49 0.00 0.39 0.86 0.00 0.00 177.93 179.70 1wix n GLU 87 N -2.87 0.00 0.00 2.45 1.02 0.18 -3.73 120.64 117.68 1wix n GLU 87 Ca -0.08 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1wix n GLU 87 Cb 0.79 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 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 -2.36 0.00 -0.04 -0.32 7.35 -1.17 -3.83 117.46 117.10 1wix n PHE 88 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 1wix n PHE 88 Cb 0.00 -0.47 -0.07 0.00 0.35 0.00 0.00 39.48 39.29 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 0.21 0.00 -2.13 3.38 -1.45 -3.48 115.31 111.84 1wix h LEU 89 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1wix h LEU 89 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wix h LEU 89 CO 0.00 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1wix n GLY 90 N -0.30 2.01 3.76 0.83 0.00 0.65 -4.95 105.19 107.19 1wix n GLY 90 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.10 0.49 0.26 1.61 -2.07 0.33 -4.44 119.66 115.74 1wix s GLN 91 Ca 0.00 0.12 0.02 0.00 -1.82 0.00 0.00 55.36 53.68 1wix s GLN 91 Cb 0.00 -1.78 0.02 0.00 -1.09 0.00 0.00 33.01 30.16 1wix s GLN 91 CO 0.00 -2.60 0.17 0.00 -1.32 0.00 0.00 175.29 171.54 1wix n GLN 92 N -4.01 1.14 -4.63 9.60 10.64 -1.26 -1.38 117.38 127.47 1wix n GLN 92 Ca 0.09 -1.65 -0.24 0.00 -1.83 0.00 0.00 57.00 53.37 1wix n GLN 92 Cb 0.59 0.21 -0.16 0.00 -0.86 0.00 0.00 30.24 30.02 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 -1.36 1.16 0.37 -0.39 1.01 -1.26 -4.42 121.20 116.31 1wix s ILE 93 Ca 0.13 -0.54 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 1wix s ILE 93 Cb -0.01 -1.02 -0.10 0.00 0.01 0.00 0.00 42.46 41.34 1wix s ILE 93 CO 0.08 0.35 0.98 -0.44 0.00 0.00 0.00 174.94 175.91 1wix s SER 94 N 0.27 7.06 0.43 3.58 0.01 -1.24 -4.90 113.70 118.91 1wix s SER 94 Ca -0.07 1.85 0.18 0.00 1.31 0.00 0.00 55.95 59.23 1wix s SER 94 Cb -0.12 -2.57 0.97 0.00 0.21 0.00 0.00 66.02 64.51 1wix s SER 94 CO 0.02 -0.27 1.48 -0.33 0.41 0.00 0.00 173.24 174.55 1wix h GLU 95 N 2.63 0.00 0.00 12.44 5.08 -1.96 0.34 114.58 133.11 1wix h GLU 95 Ca -0.48 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 1wix h GLU 95 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1wix h GLU 95 CO 0.63 0.00 -0.40 0.93 -1.00 0.00 0.00 179.01 179.17 1wix h GLU 96 N 0.00 0.00 0.00 2.33 4.39 -1.99 -3.08 114.58 116.23 1wix h GLU 96 Ca 0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 1wix h GLU 96 Cb 0.63 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.23 1wix h GLU 96 CO 0.00 0.40 -1.94 1.28 -1.16 0.00 0.00 179.01 177.59 1wix n LEU 97 N -3.98 0.53 -4.47 1.33 4.77 0.12 -4.89 117.00 110.42 1wix n LEU 97 Ca -0.02 0.25 -0.46 0.00 -0.03 0.00 0.00 56.01 55.75 1wix n LEU 97 Cb 0.44 0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.74 1wix n LEU 97 CO 0.39 0.40 1.91 -0.38 -1.33 0.00 0.00 177.39 178.38 1wix n ILE 98 N -2.91 0.10 -2.18 -0.08 2.08 -1.06 -4.76 119.36 110.55 1wix n ILE 98 Ca -0.22 -0.31 -0.42 0.00 0.56 0.00 0.00 62.75 62.35 1wix n ILE 98 Cb 1.07 -1.65 -0.03 0.00 -0.75 0.00 0.00 39.64 38.28 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 7.07 4.28 -0.82 0.38 0.04 -1.26 -4.95 135.00 139.73 1wix s PRO 99 Ca 1.12 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.93 1wix s PRO 99 Cb -0.81 -3.52 0.03 0.00 0.04 0.00 0.00 34.50 30.24 1wix s PRO 99 CO 0.45 -0.57 1.40 -0.51 0.04 0.00 0.00 177.00 177.81 1wix s ASP 100 N 1.81 6.16 0.10 6.66 1.11 -1.26 -4.85 116.67 126.39 1wix s ASP 100 Ca 0.65 -0.71 -0.18 0.00 0.18 0.00 0.00 52.55 52.49 1wix s ASP 100 Cb -0.33 -2.56 -0.07 0.00 1.07 0.00 0.00 42.92 41.03 1wix s ASP 100 CO 0.28 -1.81 1.55 -0.07 1.18 0.00 0.00 175.17 176.30 1wix h LEU 101 N 13.38 0.46 -1.15 1.23 3.38 -1.94 -2.14 115.31 128.54 1wix h LEU 101 Ca -0.12 -0.28 0.21 0.00 0.09 0.00 0.00 57.88 57.78 1wix h LEU 101 Cb 1.04 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1wix h LEU 101 CO 1.32 0.63 0.62 0.78 0.09 0.00 0.00 178.44 181.88 1wix h ASN 102 N 0.28 0.66 0.86 -0.43 2.35 -1.98 0.97 115.58 118.29 1wix h ASN 102 Ca 0.08 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1wix h ASN 102 Cb 0.38 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1wix h ASN 102 CO 0.01 0.21 -0.22 0.00 -1.65 0.00 0.00 177.43 175.78 1wix n GLN 103 N -4.71 0.04 -0.03 0.81 3.00 -1.10 -1.74 117.38 113.65 1wix n GLN 103 Ca 0.23 0.02 -0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1wix n GLN 103 Cb 0.67 -1.54 -0.14 0.00 0.00 0.00 0.00 30.24 29.23 1wix n GLN 103 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1wix n ILE 104 N -1.61 0.87 -0.06 5.09 5.41 0.27 0.13 119.36 129.46 1wix n ILE 104 Ca 0.06 -0.69 -0.11 0.00 1.00 0.00 0.00 62.75 63.00 1wix n ILE 104 Cb 0.35 -0.38 -0.15 0.00 -0.71 0.00 0.00 39.64 38.76 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 -2.62 1.52 -0.07 1.39 -1.04 0.23 -2.59 114.28 111.10 1wix n THR 105 Ca -0.17 -0.79 -0.15 0.00 -2.04 0.00 0.00 64.05 60.90 1wix n THR 105 Cb 0.87 -0.90 -0.14 0.00 -1.82 0.00 0.00 70.33 68.34 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 -2.99 0.69 -0.08 -2.82 1.02 -0.71 -4.69 120.64 111.06 1wix n GLU 106 Ca -0.28 0.17 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 1wix n GLU 106 Cb 1.09 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.82 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 -3.35 -0.18 -1.61 0.00 0.00 0.35 -4.92 120.51 110.80 1wix n ALA 108 Ca -0.31 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1wix n ALA 108 Cb 0.77 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 0.54 1.35 0.27 0.00 2.03 -1.09 -4.80 116.55 114.85 1wix n ASP 109 Ca -0.09 1.08 0.17 0.00 0.52 0.00 0.00 54.79 56.47 1wix n ASP 109 Cb 0.42 -1.34 0.68 0.00 -0.72 0.00 0.00 41.12 40.16 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 1.72 0.00 0.05 -0.67 0.13 -1.94 -1.18 132.00 130.12 1wix h PRO 110 Ca -0.43 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.46 1wix h PRO 110 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1wix h PRO 110 CO 0.58 0.03 -1.05 0.28 -0.23 0.00 0.00 178.00 177.61 1wix h VAL 111 N 0.00 1.48 0.05 1.56 2.07 -1.96 -3.26 116.25 116.18 1wix h VAL 111 Ca -0.00 -2.78 -0.17 0.00 0.82 0.00 0.00 66.70 64.57 1wix h VAL 111 Cb 0.52 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1wix h VAL 111 CO 0.00 0.82 -0.86 -0.33 0.02 0.00 0.00 177.57 177.22 1wix h GLU 112 N 0.13 0.10 -0.86 1.57 3.07 -1.88 -3.35 114.58 113.37 1wix h GLU 112 Ca -0.09 -0.17 0.17 0.00 -0.50 0.00 0.00 59.36 58.77 1wix h GLU 112 Cb 1.73 0.06 -0.16 0.00 -0.84 0.00 0.00 28.75 29.54 1wix h GLU 112 CO 0.17 1.08 -0.21 1.25 -1.40 0.00 0.00 179.01 179.90 1wix h LEU 113 N -0.74 -0.79 -0.81 1.33 7.12 -1.36 0.37 115.31 120.44 1wix h LEU 113 Ca -0.21 0.26 0.09 0.00 0.13 0.00 0.00 57.88 58.15 1wix h LEU 113 Cb 1.38 0.53 -0.07 0.00 -0.53 0.00 0.00 40.66 41.96 1wix h LEU 113 CO -0.03 -0.28 0.46 1.23 -0.13 0.00 0.00 178.44 179.69 1wix h GLY 114 N 0.00 1.24 -0.47 3.75 0.00 -1.72 -1.60 103.07 104.28 1wix h GLY 114 Ca 0.41 -0.31 0.31 0.00 0.00 0.00 0.00 47.33 47.75 1wix h GLY 114 CO -0.88 0.14 0.63 3.21 0.00 0.00 0.00 176.54 179.64 1wix h ARG 115 N 0.79 0.34 0.42 4.80 2.47 -0.37 0.23 114.38 123.05 1wix h ARG 115 Ca 0.38 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.06 1wix h ARG 115 Cb 0.33 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1wix h ARG 115 CO -0.24 0.22 -0.20 1.25 0.56 0.00 0.00 179.97 181.57 1wix h LEU 116 N 0.35 -0.48 -0.93 3.04 7.12 -1.25 -3.04 115.31 120.13 1wix h LEU 116 Ca 0.71 0.02 0.25 0.00 0.13 0.00 0.00 57.88 58.99 1wix h LEU 116 Cb 1.69 0.12 -0.14 0.00 -0.53 0.00 0.00 40.66 41.80 1wix h LEU 116 CO -0.51 -0.24 0.39 -0.07 -0.13 0.00 0.00 178.44 177.89 1wix h LEU 117 N -0.77 0.28 -0.02 2.25 3.38 -1.31 -0.93 115.31 118.18 1wix h LEU 117 Ca -0.06 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1wix h LEU 117 Cb 0.43 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1wix h LEU 117 CO 0.10 -0.09 -0.48 -0.61 0.09 0.00 0.00 178.44 177.44 1wix h GLN 118 N 0.32 -0.59 -0.85 1.13 4.15 -0.99 -2.06 115.11 116.22 1wix h GLN 118 Ca 0.61 0.04 0.15 0.00 0.77 0.00 0.00 58.65 60.22 1wix h GLN 118 Cb 1.26 0.13 -0.15 0.00 0.21 0.00 0.00 27.48 28.93 1wix h GLN 118 CO -0.60 -0.39 -0.32 -0.07 -1.93 0.00 0.00 178.83 175.52 1wix h LEU 119 N -0.61 -1.16 -0.23 -2.39 3.38 -1.05 0.32 115.31 113.58 1wix h LEU 119 Ca 0.04 0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.33 1wix h LEU 119 Cb 0.69 0.64 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 1wix h LEU 119 CO -0.35 -0.29 -0.37 0.40 0.09 0.00 0.00 178.44 177.91 1wix h ILE 120 N -0.04 0.20 -0.93 1.22 2.04 -1.31 0.55 117.51 119.23 1wix h ILE 120 Ca 0.34 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.41 1wix h ILE 120 Cb 0.60 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 1wix h ILE 120 CO -0.88 0.00 0.61 0.25 0.00 0.00 0.00 178.15 178.13 1wix h LEU 121 N -0.39 0.43 0.15 1.44 5.85 -0.54 -1.95 115.31 120.30 1wix h LEU 121 Ca 0.11 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1wix h LEU 121 Cb 0.58 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1wix h LEU 121 CO -0.44 0.16 -0.37 1.23 -0.34 0.00 0.00 178.44 178.68 1wix h GLY 122 N 0.42 -0.74 2.00 3.75 0.00 0.06 -0.37 103.07 108.19 1wix h GLY 122 Ca 0.49 0.44 0.00 0.00 0.00 0.00 0.00 47.33 48.26 1wix h GLY 122 CO -0.20 -0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.08 1wix n ALA 124 N -2.08 2.49 0.01 0.00 0.00 -0.34 -3.41 120.51 117.17 1wix n ALA 124 Ca -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.37 1wix n ALA 124 Cb 0.19 -1.38 0.09 0.00 0.00 0.00 0.00 19.45 18.35 1wix n ALA 124 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wix n VAL 125 N -2.20 0.71 -2.35 0.00 3.14 -0.30 -4.11 118.33 113.23 1wix n VAL 125 Ca 0.05 -0.85 -0.04 0.00 -2.96 0.00 0.00 64.34 60.54 1wix n VAL 125 Cb 0.43 0.69 0.06 0.00 -1.06 0.00 0.00 33.84 33.97 1wix n VAL 125 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1wix n ASN 126 N 0.30 2.26 -2.62 6.55 3.02 -0.84 -4.98 115.26 118.95 1wix n ASN 126 Ca 0.07 -2.75 -0.12 0.00 -0.03 0.00 0.00 54.58 51.76 1wix n ASN 126 Cb 0.33 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.07 0.00 0.00 4.11 -1.95 -3.16 114.58 113.65 1wix h GLU 128 Ca -0.15 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.23 1wix h GLU 128 Cb 0.55 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wix h GLU 128 CO 0.24 0.72 0.00 1.63 0.07 0.00 0.00 179.01 181.67 1wix n LYS 129 N -4.70 0.44 -0.24 1.06 5.02 -1.26 -4.13 118.16 114.35 1wix n LYS 129 Ca -0.09 0.02 0.04 0.00 -2.02 0.00 0.00 58.31 56.26 1wix n LYS 129 Cb 0.37 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.26 -0.06 -0.25 1.97 2.85 -1.19 0.20 118.16 120.42 1wix n LYS 130 Ca 0.14 1.04 0.05 0.00 -1.05 0.00 0.00 58.31 58.50 1wix n LYS 130 Cb 0.21 -1.56 0.17 0.00 -0.65 0.00 0.00 35.03 33.20 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 0.14 -0.59 -1.58 4.20 -1.83 0.74 115.11 116.19 1wix h GLN 131 Ca 0.32 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.19 1wix h GLN 131 Cb 0.49 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1wix h GLN 131 CO -0.69 0.09 0.52 1.49 -0.67 0.00 0.00 178.83 179.58 1wix h GLU 132 N 0.15 0.00 0.09 1.46 4.22 0.20 -1.01 114.58 119.69 1wix h GLU 132 Ca 0.41 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 59.53 1wix h GLU 132 Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1wix h GLU 132 CO -0.62 0.00 -1.78 0.72 -2.18 0.00 0.00 179.01 175.15 1wix n HIS 133 N -3.93 1.21 -0.24 0.92 8.25 0.24 -4.07 115.22 117.59 1wix n HIS 133 Ca 0.11 0.32 0.04 0.00 -0.26 0.00 0.00 57.72 57.94 1wix n HIS 133 Cb 0.75 -1.15 0.15 0.00 1.12 0.00 0.00 29.99 30.86 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 -0.24 0.41 0.00 1.59 5.03 0.36 0.67 117.51 125.33 1wix h ILE 134 Ca -0.40 -0.05 -0.01 0.00 -0.12 0.00 0.00 64.86 64.28 1wix h ILE 134 Cb 1.82 0.26 -0.00 0.00 -3.03 0.00 0.00 36.82 35.88 1wix h ILE 134 CO 0.00 0.02 -0.03 0.07 -0.68 0.00 0.00 178.15 177.54 1wix h LYS 135 N 0.14 0.00 -0.25 2.37 2.10 -1.60 -1.44 116.57 117.88 1wix h LYS 135 Ca 0.39 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.97 1wix h LYS 135 Cb 0.67 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 1wix h LYS 135 CO -0.60 0.03 -0.16 -0.97 -2.00 0.00 0.00 179.45 175.75 1wix h ASN 136 N 0.00 0.42 -0.50 7.07 -0.73 0.20 -2.85 115.58 119.19 1wix h ASN 136 Ca -0.00 -0.11 -0.07 0.00 1.87 0.00 0.00 56.30 57.99 1wix h ASN 136 Cb 0.06 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 1wix h ASN 136 CO 0.00 0.61 0.06 0.40 -0.37 0.00 0.00 177.43 178.13 1wix h ILE 137 N 0.40 1.25 -0.70 2.57 5.03 -1.03 -2.87 117.51 122.17 1wix h ILE 137 Ca 0.07 -0.98 -0.01 0.00 -0.12 0.00 0.00 64.86 63.83 1wix h ILE 137 Cb 0.52 0.91 -0.03 0.00 -3.03 0.00 0.00 36.82 35.18 1wix h ILE 137 CO 0.03 0.35 0.41 0.24 -0.68 0.00 0.00 178.15 178.50 1wix h MET 138 N 0.72 0.95 0.00 2.37 2.86 -1.50 -0.59 114.93 119.74 1wix h MET 138 Ca 0.15 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1wix h MET 138 Cb 0.43 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1wix h MET 138 CO 0.01 0.68 0.00 0.25 1.06 0.00 0.00 176.91 178.91 1wix n THR 139 N -4.39 1.36 -1.65 2.22 -2.24 -1.09 -4.70 114.28 103.79 1wix n THR 139 Ca 0.07 0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 62.10 1wix n THR 139 Cb 0.08 -1.26 0.09 0.00 -2.10 0.00 0.00 70.33 67.14 1wix n THR 139 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wix n LEU 140 N -1.63 0.00 -4.79 3.22 4.77 -0.23 -5.07 117.00 113.28 1wix n LEU 140 Ca 0.02 -0.75 -0.29 0.00 -0.03 0.00 0.00 56.01 54.95 1wix n LEU 140 Cb 0.10 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 40.87 1wix n LEU 140 CO 0.09 -0.90 0.71 -0.70 -1.33 0.00 0.00 177.39 175.26 1wix s GLU 141 N -4.21 1.48 0.02 3.23 2.56 -1.26 -4.87 118.70 115.65 1wix s GLU 141 Ca 0.34 0.45 -0.27 0.00 0.00 0.00 0.00 54.97 55.49 1wix s GLU 141 Cb -0.01 -1.86 -0.16 0.00 2.00 0.00 0.00 34.13 34.10 1wix s GLU 141 CO 0.24 -2.00 1.20 0.93 -0.56 0.00 0.00 175.26 175.07 1wix h GLU 142 N -1.36 -0.82 0.11 4.30 3.07 -1.95 -1.10 114.58 116.83 1wix h GLU 142 Ca -0.49 0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.44 1wix h GLU 142 Cb 1.31 0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 29.35 1wix h GLU 142 CO 0.60 -0.51 -0.53 1.03 -1.40 0.00 0.00 179.01 178.21 1wix h SER 143 N -1.12 -1.59 -0.76 1.42 0.87 -2.01 -1.78 113.55 108.58 1wix h SER 143 Ca -0.09 0.17 0.14 0.00 -1.23 0.00 0.00 61.79 60.79 1wix h SER 143 Cb 0.70 0.59 -0.10 0.00 -0.44 0.00 0.00 62.40 63.15 1wix h SER 143 CO 0.14 -0.56 0.30 1.62 -0.53 0.00 0.00 176.83 177.81 1wix h VAL 144 N -0.75 0.65 -0.84 2.23 3.04 -1.94 -0.42 116.25 118.23 1wix h VAL 144 Ca -0.00 -0.15 0.17 0.00 -1.01 0.00 0.00 66.70 65.71 1wix h VAL 144 Cb 0.76 0.17 -0.11 0.00 -2.01 0.00 0.00 31.29 30.10 1wix h VAL 144 CO -0.29 0.08 0.38 1.56 -1.01 0.00 0.00 177.57 178.29 1wix h GLN 145 N 0.44 0.48 0.65 4.17 4.20 -0.34 0.24 115.11 124.96 1wix h GLN 145 Ca 0.42 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 1wix h GLN 145 Cb 0.64 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1wix h GLN 145 CO -0.41 0.32 -0.46 1.25 -0.67 0.00 0.00 178.83 178.86 1wix h HIS 146 N 0.49 -1.25 -0.35 2.96 -0.00 -0.54 0.21 115.15 116.68 1wix h HIS 146 Ca 0.49 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.87 1wix h HIS 146 Cb 0.80 0.46 -0.03 0.00 -0.00 0.00 0.00 27.41 28.64 1wix h HIS 146 CO -0.13 -0.67 0.18 0.28 -0.00 0.00 0.00 177.93 177.58 1wix h VAL 147 N -1.07 0.99 -0.94 5.26 2.07 -1.29 0.35 116.25 121.62 1wix h VAL 147 Ca -0.08 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1wix h VAL 147 Cb 0.89 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1wix h VAL 147 CO 0.04 0.07 0.61 0.58 0.02 0.00 0.00 177.57 178.89 1wix h VAL 148 N 0.36 1.09 -0.00 2.57 2.07 -0.42 -0.93 116.25 120.99 1wix h VAL 148 Ca 0.14 -0.38 -0.26 0.00 0.82 0.00 0.00 66.70 67.03 1wix h VAL 148 Cb 0.05 -0.11 0.02 0.00 -1.52 0.00 0.00 31.29 29.72 1wix h VAL 148 CO -0.10 0.20 -1.01 0.24 0.02 0.00 0.00 177.57 176.92 1wix h MET 149 N 1.10 0.64 -0.72 1.57 2.86 0.01 -3.25 114.93 117.15 1wix h MET 149 Ca 0.40 -0.68 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1wix h MET 149 Cb 0.16 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1wix h MET 149 CO -0.15 1.28 0.44 1.15 1.06 0.00 0.00 176.91 180.69 1wix h THR 150 N 0.36 1.20 -0.46 2.22 2.02 0.29 -2.61 112.91 115.94 1wix h THR 150 Ca -0.12 -0.42 0.07 0.00 0.77 0.00 0.00 66.41 66.71 1wix h THR 150 Cb 1.66 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1wix h THR 150 CO 0.19 0.20 0.12 0.00 0.37 0.00 0.00 175.52 176.41 1wix h ALA 151 N 1.50 0.52 0.02 6.16 0.00 -1.22 -0.62 119.26 125.63 1wix h ALA 151 Ca 0.26 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1wix h ALA 151 Cb -0.05 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1wix h ALA 151 CO -0.05 -0.28 -0.17 0.82 0.00 0.00 0.00 179.25 179.56 1wix h ILE 152 N 0.26 0.58 -0.31 0.00 5.03 -1.56 0.42 117.51 121.94 1wix h ILE 152 Ca 0.22 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 65.01 1wix h ILE 152 Cb 0.27 0.58 -0.04 0.00 -3.03 0.00 0.00 36.82 34.60 1wix h ILE 152 CO -0.27 0.00 0.05 1.56 -0.68 0.00 0.00 178.15 178.82 1wix h GLN 153 N -0.29 0.16 -0.21 2.37 1.08 -1.38 -1.05 115.11 115.79 1wix h GLN 153 Ca 0.05 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1wix h GLN 153 Cb 0.36 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1wix h GLN 153 CO -0.15 0.10 0.11 1.49 -0.95 0.00 0.00 178.83 179.43 1wix h GLU 154 N 0.16 0.28 0.18 1.46 4.81 -0.78 -1.06 114.58 119.64 1wix h GLU 154 Ca 0.15 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1wix h GLU 154 Cb 0.16 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1wix h GLU 154 CO -0.20 0.21 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.14 1wix h LEU 155 N 0.28 -0.21 -1.78 1.64 3.38 0.30 -2.62 115.31 116.30 1wix h LEU 155 Ca 0.07 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1wix h LEU 155 Cb 0.02 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wix h LEU 155 CO -0.01 0.17 -0.12 0.24 0.09 0.00 0.00 178.44 178.80 1wix h MET 156 N -0.62 0.00 0.00 1.13 2.86 -1.02 -0.46 114.93 116.83 1wix h MET 156 Ca -0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1wix h MET 156 Cb 0.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1wix h MET 156 CO 0.04 0.12 -0.29 0.77 1.06 0.00 0.00 176.91 178.61 1wix h SER 157 N 0.00 0.00 -0.30 1.22 0.02 -1.09 -2.78 113.55 110.62 1wix h SER 157 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wix h SER 157 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1wix h SER 157 CO 0.02 0.29 0.00 0.29 -1.14 0.00 0.00 176.83 176.29 1wix n LYS 158 N -3.60 2.91 -3.66 3.45 5.02 -0.53 -4.79 118.16 116.95 1wix n LYS 158 Ca -0.01 -2.44 -0.28 0.00 -2.02 0.00 0.00 58.31 53.56 1wix n LYS 158 Cb 0.42 -1.55 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 1wix n LYS 158 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wix s SER 159 N -1.46 3.27 -0.04 4.39 0.01 -0.29 -3.60 113.70 115.98 1wix s SER 159 Ca 0.32 -3.13 0.05 0.00 1.31 0.00 0.00 55.95 54.50 1wix s SER 159 Cb 0.23 -1.01 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 1wix s SER 159 CO 0.12 -0.18 -0.18 -0.83 0.41 0.00 0.00 173.24 172.58 1wix s GLY 160 N -0.28 0.98 0.80 3.44 0.00 -1.26 -4.81 107.32 106.19 1wix s GLY 160 Ca 0.25 -0.76 -0.11 0.00 0.00 0.00 0.00 44.72 44.10 1wix s GLY 160 CO -0.11 -0.43 1.09 2.56 0.00 0.00 0.00 173.10 176.21 1wix s PRO 161 N -0.04 2.04 -0.25 2.90 0.04 -1.26 -4.35 135.00 134.08 1wix s PRO 161 Ca -0.03 1.10 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 1wix s PRO 161 Cb -0.11 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.63 1wix s PRO 161 CO 0.02 -1.77 0.08 0.45 0.04 0.00 0.00 177.00 175.81 1wix s SER 162 N -3.40 3.42 0.28 6.66 0.15 -1.26 -5.07 113.70 114.48 1wix s SER 162 Ca 0.62 -1.20 -0.29 0.00 0.70 0.00 0.00 55.95 55.78 1wix s SER 162 Cb -0.17 -0.63 -0.14 0.00 -1.71 0.00 0.00 66.02 63.37 1wix s SER 162 CO 0.56 -0.37 1.09 -1.20 1.20 0.00 0.00 173.24 174.52 1wix n SER 163 N 5.02 1.59 0.00 5.45 7.64 -1.26 -5.17 113.62 126.89 1wix n SER 163 Ca -0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1wix n SER 163 Cb 0.44 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1wix n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64