#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wix h SER 2 N 0.00 -0.85 -3.65 1.61 0.87 -2.13 -3.43 113.55 105.98 1wix h SER 2 Ca 0.00 0.03 -0.51 0.00 -1.23 0.00 0.00 61.79 60.08 1wix h SER 2 Cb 0.00 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1wix h SER 2 CO 0.00 -0.55 0.34 -0.44 -0.53 0.00 0.00 176.83 175.64 1wix s SER 3 N -3.90 7.55 0.00 6.23 0.01 -1.26 -4.98 113.70 117.35 1wix s SER 3 Ca -0.15 1.85 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1wix s SER 3 Cb 0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wix s SER 3 CO 0.44 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.76 1wix n GLY 4 N 1.85 -1.62 3.21 3.44 0.00 -1.26 -5.18 105.19 105.63 1wix n GLY 4 Ca -0.00 0.95 -0.12 0.00 0.00 0.00 0.00 46.02 46.84 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 0.00 0.47 -0.30 1.61 0.01 -1.26 -5.08 113.70 109.15 1wix s SER 5 Ca 0.00 -1.32 0.15 0.00 1.31 0.00 0.00 55.95 56.08 1wix s SER 5 Cb 0.00 0.30 0.48 0.00 0.21 0.00 0.00 66.02 67.00 1wix s SER 5 CO 0.00 -0.77 1.12 -1.20 0.41 0.00 0.00 173.24 172.80 1wix n SER 6 N -0.25 3.13 0.00 2.44 7.64 -1.26 -5.08 113.62 120.24 1wix n SER 6 Ca -0.01 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1wix n SER 6 Cb 0.65 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.56 1.48 3.28 0.23 0.00 -1.26 -4.93 105.19 103.43 1wix n GLY 7 Ca 0.24 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1wix n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wix n LEU 8 N 0.00 -2.05 0.01 0.99 -0.00 -1.26 -4.46 117.00 110.23 1wix n LEU 8 Ca 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 56.01 55.86 1wix n LEU 8 Cb 0.00 -0.97 -0.10 0.00 -0.00 0.00 0.00 43.42 42.36 1wix n LEU 8 CO 0.00 -3.22 0.61 1.55 -0.00 0.00 0.00 177.39 176.33 1wix h PRO 9 N -1.88 -0.06 -1.59 1.47 0.13 -1.97 0.68 132.00 128.78 1wix h PRO 9 Ca -0.51 0.00 0.46 0.00 -0.87 0.00 0.00 66.00 65.09 1wix h PRO 9 Cb 1.35 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 1wix h PRO 9 CO 0.36 0.41 1.20 1.25 -0.23 0.00 0.00 178.00 180.99 1wix h LEU 10 N -0.54 0.00 0.00 1.56 5.85 -1.95 0.29 115.31 120.52 1wix h LEU 10 Ca -0.01 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 1wix h LEU 10 Cb 0.49 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1wix h LEU 10 CO 0.01 0.00 -1.99 0.00 -0.34 0.00 0.00 178.44 176.12 1wix n ASP 12 N -2.85 0.00 -0.04 0.00 2.03 0.23 -2.54 116.55 113.39 1wix n ASP 12 Ca -0.28 0.45 -0.09 0.00 0.52 0.00 0.00 54.79 55.38 1wix n ASP 12 Cb 0.87 -0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 40.77 1wix n ASP 12 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wix n SER 13 N -1.47 0.96 -0.32 1.67 2.88 0.78 -4.55 113.62 113.57 1wix n SER 13 Ca 0.02 0.16 0.20 0.00 -1.33 0.00 0.00 58.87 57.91 1wix n SER 13 Cb 0.08 -0.37 0.40 0.00 -0.75 0.00 0.00 64.21 63.57 1wix n SER 13 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wix h LEU 14 N -0.39 0.37 -0.37 2.46 3.38 -1.58 0.23 115.31 119.40 1wix h LEU 14 Ca -0.20 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1wix h LEU 14 Cb 1.00 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1wix h LEU 14 CO -0.12 -0.11 0.12 0.40 0.09 0.00 0.00 178.44 178.81 1wix h ILE 15 N 0.32 0.87 -0.63 1.22 2.04 -1.76 -0.88 117.51 118.68 1wix h ILE 15 Ca 0.66 -0.09 0.16 0.00 1.00 0.00 0.00 64.86 66.60 1wix h ILE 15 Cb 1.44 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1wix h ILE 15 CO -0.61 0.05 0.44 0.40 0.00 0.00 0.00 178.15 178.44 1wix h ILE 16 N 0.26 0.73 -0.04 -0.67 2.04 -0.78 -1.12 117.51 117.94 1wix h ILE 16 Ca 0.17 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.88 1wix h ILE 16 Cb 0.16 0.60 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1wix h ILE 16 CO -0.19 0.02 -0.40 -0.25 0.00 0.00 0.00 178.15 177.33 1wix h TRP 17 N 0.13 0.48 0.00 1.37 7.01 -0.99 -3.11 115.95 120.83 1wix h TRP 17 Ca 0.31 -0.23 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1wix h TRP 17 Cb 1.03 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.03 1wix h TRP 17 CO -0.00 1.01 0.00 1.25 -2.79 0.00 0.00 178.44 177.91 1wix h LEU 18 N -0.19 0.00 -1.53 0.65 5.85 -0.48 -2.13 115.31 117.49 1wix h LEU 18 Ca -0.04 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1wix h LEU 18 Cb 1.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1wix h LEU 18 CO 0.08 0.00 -0.21 1.56 -0.34 0.00 0.00 178.44 179.53 1wix h GLN 19 N 0.00 0.03 -0.90 1.25 4.20 -1.24 -2.51 115.11 115.94 1wix h GLN 19 Ca 0.00 -0.01 0.26 0.00 0.06 0.00 0.00 58.65 58.96 1wix h GLN 19 Cb 0.17 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1wix h GLN 19 CO 0.00 0.24 0.66 1.79 -0.67 0.00 0.00 178.83 180.85 1wix h THR 20 N 0.03 0.53 -3.10 -0.54 1.35 -1.54 -3.34 112.91 106.31 1wix h THR 20 Ca 0.00 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 65.20 1wix h THR 20 Cb 0.40 0.54 -0.17 0.00 -1.73 0.00 0.00 68.15 67.19 1wix h THR 20 CO 0.03 0.00 0.22 -0.36 -0.25 0.00 0.00 175.52 175.15 1wix s PHE 21 N -4.96 2.94 -0.08 4.73 0.40 -0.95 -4.91 117.98 115.16 1wix s PHE 21 Ca -0.05 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 1wix s PHE 21 Cb 0.21 -3.83 0.07 0.00 0.51 0.00 0.00 43.02 39.99 1wix s PHE 21 CO 0.76 -1.22 1.65 0.36 0.70 0.00 0.00 175.22 177.47 1wix n LYS 22 N 6.63 1.20 -0.89 0.44 2.85 -1.25 -4.94 118.16 122.19 1wix n LYS 22 Ca -0.05 -0.43 -0.35 0.00 -1.05 0.00 0.00 58.31 56.44 1wix n LYS 22 Cb 0.45 -1.17 0.08 0.00 -0.65 0.00 0.00 35.03 33.75 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 0.82 0.00 -0.39 0.58 -2.24 -1.26 -4.68 114.28 107.10 1wix n THR 23 Ca 0.08 -0.33 0.38 0.00 -2.27 0.00 0.00 64.05 61.92 1wix n THR 23 Cb 0.58 -0.31 0.67 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.31 3.27 -3.01 6.98 0.00 -1.97 -3.36 119.26 119.86 1wix h ALA 24 Ca -0.44 -0.05 -0.62 0.00 0.00 0.00 0.00 54.91 53.81 1wix h ALA 24 Cb 1.30 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.09 1wix h ALA 24 CO 0.29 -1.88 -0.42 0.45 0.00 0.00 0.00 179.25 177.69 1wix s SER 25 N -4.06 6.37 1.23 0.00 0.15 -1.26 -5.10 113.70 111.03 1wix s SER 25 Ca -0.04 0.43 -0.19 0.00 0.70 0.00 0.00 55.95 56.85 1wix s SER 25 Cb 0.21 -2.12 0.27 0.00 -1.71 0.00 0.00 66.02 62.67 1wix s SER 25 CO 0.70 0.23 0.98 -0.81 1.20 0.00 0.00 173.24 175.53 1wix n PRO 26 N 2.98 -2.94 -3.15 5.44 -0.04 -1.26 -4.82 135.00 131.21 1wix n PRO 26 Ca -0.16 -1.56 0.04 0.00 -0.04 0.00 0.00 63.50 61.78 1wix n PRO 26 Cb 0.53 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 5.42 0.00 -2.18 0.00 6.02 -1.26 -4.88 117.38 120.50 1wix n GLN 28 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.87 1wix n GLN 28 Cb 0.52 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.82 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 -1.95 1.26 0.08 1.08 2.03 -1.26 -4.97 116.55 112.82 1wix n ASP 29 Ca 0.00 -1.89 -0.05 0.00 0.52 0.00 0.00 54.79 53.37 1wix n ASP 29 Cb 0.00 -0.23 -0.07 0.00 -0.72 0.00 0.00 41.12 40.10 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 0.09 1.52 0.00 5.18 -1.51 -1.94 -3.12 116.25 116.47 1wix h VAL 30 Ca -0.16 -3.11 -0.01 0.00 -1.23 0.00 0.00 66.70 62.19 1wix h VAL 30 Cb 0.71 2.72 -0.00 0.00 -2.13 0.00 0.00 31.29 32.60 1wix h VAL 30 CO 0.23 0.86 -0.07 0.11 -1.23 0.00 0.00 177.57 177.47 1wix h LYS 31 N 0.00 0.00 0.00 5.19 1.57 -1.96 0.47 116.57 121.84 1wix h LYS 31 Ca -0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1wix h LYS 31 Cb 1.65 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.92 1wix h LYS 31 CO 0.11 0.07 -1.48 1.96 -0.57 0.00 0.00 179.45 179.54 1wix h GLN 32 N 0.00 0.00 0.00 3.15 4.20 -1.95 -3.36 115.11 117.15 1wix h GLN 32 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1wix h GLN 32 Cb 0.55 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1wix h GLN 32 CO 0.01 0.57 -1.59 1.28 -0.67 0.00 0.00 178.83 178.43 1wix n LEU 33 N -3.10 0.65 -0.55 1.46 4.77 -1.06 -4.19 117.00 114.99 1wix n LEU 33 Ca -0.12 0.28 0.44 0.00 -0.03 0.00 0.00 56.01 56.59 1wix n LEU 33 Cb 0.99 0.12 0.74 0.00 -2.33 0.00 0.00 43.42 42.94 1wix n LEU 33 CO 0.45 0.16 1.36 0.71 -1.33 0.00 0.00 177.39 178.74 1wix h THR 34 N 0.00 0.10 0.09 -5.08 1.35 -0.20 -1.03 112.91 108.14 1wix h THR 34 Ca -0.19 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1wix h THR 34 Cb 1.58 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1wix h THR 34 CO 0.04 0.01 -0.13 0.78 -0.25 0.00 0.00 175.52 175.97 1wix h ASN 35 N 0.03 -0.36 0.00 5.36 4.21 -1.80 -3.45 115.58 119.58 1wix h ASN 35 Ca 0.85 0.03 0.00 0.00 1.21 0.00 0.00 56.30 58.39 1wix h ASN 35 Cb 3.08 0.13 0.00 0.00 -1.12 0.00 0.00 38.32 40.40 1wix h ASN 35 CO -0.19 -0.15 0.00 0.61 -1.29 0.00 0.00 177.43 176.41 1wix n GLY 36 N -1.13 3.88 0.11 2.83 0.00 -0.39 -3.53 105.19 106.96 1wix n GLY 36 Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 -0.18 -0.37 1.61 0.31 -1.26 -0.62 118.33 117.82 1wix n VAL 37 Ca 0.00 1.66 -0.03 0.00 -0.01 0.00 0.00 64.34 65.96 1wix n VAL 37 Cb 0.00 -2.15 0.01 0.00 -0.91 0.00 0.00 33.84 30.79 1wix n VAL 37 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1wix n THR 38 N -3.57 -0.52 0.03 2.52 -1.04 -1.26 -0.10 114.28 110.32 1wix n THR 38 Ca 0.01 2.22 -0.10 0.00 -2.04 0.00 0.00 64.05 64.13 1wix n THR 38 Cb 0.07 -2.89 -0.04 0.00 -1.82 0.00 0.00 70.33 65.65 1wix n THR 38 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1wix h MET 39 N 0.00 -0.21 -0.17 -2.82 2.86 -1.30 -2.15 114.93 111.15 1wix h MET 39 Ca 0.29 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.00 1wix h MET 39 Cb 0.53 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.17 1wix h MET 39 CO -0.92 -0.14 -0.30 0.00 1.06 0.00 0.00 176.91 176.61 1wix h ALA 40 N 0.78 -0.30 -0.93 6.32 0.00 0.19 0.12 119.26 125.44 1wix h ALA 40 Ca 0.07 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.23 1wix h ALA 40 Cb 0.32 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1wix h ALA 40 CO -0.19 -0.76 0.61 1.96 0.00 0.00 0.00 179.25 180.87 1wix h GLN 41 N -0.35 0.44 -0.34 0.00 4.20 -0.63 0.50 115.11 118.93 1wix h GLN 41 Ca 0.11 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.64 1wix h GLN 41 Cb 0.52 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1wix h GLN 41 CO -0.37 0.29 -0.39 0.28 -0.67 0.00 0.00 178.83 177.97 1wix h VAL 42 N 0.45 1.28 -0.84 -0.54 2.07 -0.38 -3.10 116.25 115.20 1wix h VAL 42 Ca 0.50 -1.57 0.07 0.00 0.82 0.00 0.00 66.70 66.51 1wix h VAL 42 Cb 1.17 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 1wix h VAL 42 CO -0.21 0.52 0.55 -0.07 0.02 0.00 0.00 177.57 178.37 1wix h LEU 43 N 0.67 0.82 -0.99 2.57 3.38 0.52 0.14 115.31 122.42 1wix h LEU 43 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wix h LEU 43 Cb 0.99 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1wix h LEU 43 CO 0.10 0.52 0.00 1.57 0.09 0.00 0.00 178.44 180.72 1wix n HIS 44 N -4.49 0.69 -0.05 1.13 -0.00 -0.95 -2.44 115.22 109.11 1wix n HIS 44 Ca 0.13 0.32 -0.22 0.00 0.46 0.00 0.00 57.72 58.41 1wix n HIS 44 Cb 0.21 -1.01 -0.13 0.00 -0.12 0.00 0.00 29.99 28.95 1wix n HIS 44 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wix n GLN 45 N -2.17 0.66 0.12 1.57 6.02 0.47 -3.47 117.38 120.57 1wix n GLN 45 Ca 0.00 0.43 -0.08 0.00 -0.01 0.00 0.00 57.00 57.34 1wix n GLN 45 Cb 0.12 -1.73 -0.04 0.00 1.02 0.00 0.00 30.24 29.60 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 -0.50 0.00 -2.87 5.09 2.04 -1.13 -3.37 117.51 116.77 1wix h ILE 46 Ca -0.39 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 64.86 1wix h ILE 46 Cb 1.65 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 37.33 1wix h ILE 46 CO -0.07 0.00 -0.73 1.51 0.00 0.00 0.00 178.15 178.86 1wix s ASP 47 N -3.18 3.56 0.63 1.72 -4.77 -1.14 -4.83 116.67 108.66 1wix s ASP 47 Ca -0.08 -3.30 0.31 0.00 -3.30 0.00 0.00 52.55 46.18 1wix s ASP 47 Cb 0.02 -1.15 1.69 0.00 -1.09 0.00 0.00 42.92 42.39 1wix s ASP 47 CO 0.26 -0.16 2.02 1.62 0.70 0.00 0.00 175.17 179.61 1wix h VAL 48 N 4.72 0.22 -0.20 2.11 3.04 -1.74 0.19 116.25 124.59 1wix h VAL 48 Ca 0.13 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.81 1wix h VAL 48 Cb 0.85 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1wix h VAL 48 CO 0.56 0.00 0.06 0.00 -1.01 0.00 0.00 177.57 177.18 1wix h ALA 49 N 1.56 0.26 0.00 3.17 0.00 -1.92 -2.88 119.26 119.45 1wix h ALA 49 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1wix h ALA 49 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wix h ALA 49 CO -0.00 -0.11 -1.01 2.35 0.00 0.00 0.00 179.25 180.48 1wix h TRP 50 N 0.15 0.00 -2.97 0.00 2.91 -1.60 -3.40 115.95 111.03 1wix h TRP 50 Ca 0.06 0.00 -0.62 0.00 1.13 0.00 0.00 58.89 59.47 1wix h TRP 50 Cb 0.24 0.00 -0.41 0.00 -0.51 0.00 0.00 29.16 28.47 1wix h TRP 50 CO 0.00 0.16 -0.65 -0.06 -1.03 0.00 0.00 178.44 176.87 1wix s PHE 51 N -3.23 3.11 0.26 2.65 0.08 0.53 -4.97 117.98 116.42 1wix s PHE 51 Ca -0.00 -3.15 0.02 0.00 0.12 0.00 0.00 56.93 53.92 1wix s PHE 51 Cb 0.09 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 1wix s PHE 51 CO 0.79 -0.60 0.42 0.45 -0.10 0.00 0.00 175.22 176.17 1wix s SER 52 N -1.13 6.33 0.51 1.36 0.15 -1.09 -4.29 113.70 115.53 1wix s SER 52 Ca 0.26 0.25 0.46 0.00 0.70 0.00 0.00 55.95 57.62 1wix s SER 52 Cb -0.04 -1.94 1.59 0.00 -1.71 0.00 0.00 66.02 63.91 1wix s SER 52 CO -0.16 -0.12 1.43 -0.62 1.20 0.00 0.00 173.24 174.96 1wix n GLU 53 N -1.33 -0.00 -0.12 5.44 1.02 -1.26 0.13 120.64 124.52 1wix n GLU 53 Ca -0.07 0.99 -0.06 0.00 -0.02 0.00 0.00 57.16 58.01 1wix n GLU 53 Cb 0.56 -2.29 0.02 0.00 -0.02 0.00 0.00 31.44 29.71 1wix n GLU 53 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wix h SER 54 N 0.00 0.20 0.33 1.62 4.64 -1.97 0.84 113.55 119.21 1wix h SER 54 Ca 0.86 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 62.20 1wix h SER 54 Cb 3.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.56 1wix h SER 54 CO -0.02 0.15 -0.16 -0.25 -0.87 0.00 0.00 176.83 175.69 1wix h TRP 55 N 0.33 -0.41 -0.10 4.77 7.01 0.64 -3.17 115.95 125.02 1wix h TRP 55 Ca 0.17 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.19 1wix h TRP 55 Cb 0.13 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1wix h TRP 55 CO -0.13 -0.08 0.10 1.25 -2.79 0.00 0.00 178.44 176.79 1wix h LEU 56 N -0.96 0.00 -0.26 0.65 5.85 -1.46 -0.00 115.31 119.13 1wix h LEU 56 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1wix h LEU 56 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1wix h LEU 56 CO 0.07 0.00 0.00 -0.24 -0.34 0.00 0.00 178.44 177.93 1wix n SER 57 N -4.07 0.11 0.03 1.25 2.88 0.29 -0.60 113.62 113.51 1wix n SER 57 Ca -0.00 0.55 0.09 0.00 -1.33 0.00 0.00 58.87 58.17 1wix n SER 57 Cb 0.21 -0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 63.01 1wix n SER 57 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wix n ARG 58 N -1.65 0.64 -2.43 -1.46 5.12 -0.01 -4.92 116.66 111.95 1wix n ARG 58 Ca 0.00 -0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.50 1wix n ARG 58 Cb 0.03 -1.67 -0.04 0.00 -1.16 0.00 0.00 32.46 29.62 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 -3.33 3.63 0.14 0.55 -1.09 0.23 -5.03 121.20 116.30 1wix s ILE 59 Ca -0.05 1.43 0.07 0.00 -2.23 0.00 0.00 60.65 59.87 1wix s ILE 59 Cb 0.11 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1wix s ILE 59 CO 0.85 0.25 -0.04 -0.54 -1.23 0.00 0.00 174.94 174.23 1wix s LYS 60 N -0.49 2.31 -0.00 2.79 1.02 -1.26 -5.02 119.74 119.09 1wix s LYS 60 Ca 0.50 -1.06 0.07 0.00 0.02 0.00 0.00 55.97 55.51 1wix s LYS 60 Cb -0.32 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 1wix s LYS 60 CO 0.37 0.48 0.30 -3.47 -0.92 0.00 0.00 175.35 172.12 1wix n ASP 61 N 0.24 0.35 0.21 2.83 2.03 -1.26 -4.56 116.55 116.40 1wix n ASP 61 Ca -0.11 -0.67 0.08 0.00 0.52 0.00 0.00 54.79 54.62 1wix n ASP 61 Cb 0.54 1.00 0.45 0.00 -0.72 0.00 0.00 41.12 42.39 1wix n ASP 61 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1wix h ASP 62 N 0.00 0.00 -1.51 1.67 5.19 -1.95 -2.60 116.42 117.22 1wix h ASP 62 Ca 0.00 0.00 0.44 0.00 -0.62 0.00 0.00 57.03 56.85 1wix h ASP 62 Cb 0.17 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.62 1wix h ASP 62 CO 0.00 0.00 1.26 1.33 -3.12 0.00 0.00 179.24 178.71 1wix n VAL 63 N -2.26 0.00 -0.23 -1.35 0.24 -1.26 -1.73 118.33 111.74 1wix n VAL 63 Ca -0.01 1.31 0.00 0.00 -2.04 0.00 0.00 64.34 63.60 1wix n VAL 63 Cb 0.37 -2.24 0.04 0.00 -1.47 0.00 0.00 33.84 30.53 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 -1.78 -1.23 0.54 7.63 0.00 -0.98 0.11 105.19 109.47 1wix n GLY 64 Ca 0.34 0.69 0.08 0.00 0.00 0.00 0.00 46.02 47.13 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 -4.93 2.05 -4.27 1.61 8.00 -0.71 -4.93 116.55 113.38 1wix n ASP 65 Ca 0.07 -1.53 -0.32 0.00 0.71 0.00 0.00 54.79 53.72 1wix n ASP 65 Cb 0.26 0.22 -0.16 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 -1.65 3.34 -0.09 -2.24 0.01 0.30 -5.00 114.94 109.61 1wix s ASN 66 Ca 0.17 -0.49 0.17 0.00 -0.71 0.00 0.00 52.86 51.99 1wix s ASN 66 Cb 0.14 -1.41 -0.23 0.00 0.41 0.00 0.00 41.25 40.16 1wix s ASN 66 CO 0.31 0.17 0.43 -2.67 -1.51 0.00 0.00 177.10 173.83 1wix n TRP 67 N 3.46 0.49 0.01 2.20 4.27 -1.26 -4.20 117.44 122.41 1wix n TRP 67 Ca -0.19 0.17 -0.05 0.00 -3.89 0.00 0.00 57.50 53.54 1wix n TRP 67 Cb 0.53 -1.03 0.16 0.00 -1.36 0.00 0.00 31.31 29.61 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 0.50 0.00 -2.67 3.08 -1.94 -2.76 114.38 110.58 1wix h ARG 68 Ca -0.34 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.43 1wix h ARG 68 Cb 1.93 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.96 1wix h ARG 68 CO 0.04 0.77 -0.24 0.82 -1.07 0.00 0.00 179.97 180.30 1wix h ILE 69 N 0.42 0.99 0.75 2.04 2.04 -1.94 -3.13 117.51 118.68 1wix h ILE 69 Ca 0.05 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1wix h ILE 69 Cb 0.80 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1wix h ILE 69 CO 0.06 0.23 -0.46 0.11 0.00 0.00 0.00 178.15 178.10 1wix h LYS 70 N 0.00 -1.09 -0.76 2.37 1.57 -1.65 -2.81 116.57 114.20 1wix h LYS 70 Ca -0.00 0.07 0.14 0.00 -1.87 0.00 0.00 60.65 58.99 1wix h LYS 70 Cb 0.47 0.25 -0.09 0.00 0.08 0.00 0.00 32.23 32.94 1wix h LYS 70 CO 0.03 -0.72 0.32 0.00 -0.57 0.00 0.00 179.45 178.51 1wix h ALA 71 N -0.98 1.09 -1.01 3.86 0.00 -1.63 0.15 119.26 120.73 1wix h ALA 71 Ca -0.10 0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.16 1wix h ALA 71 Cb 0.91 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 1wix h ALA 71 CO 0.10 -0.19 0.61 1.03 0.00 0.00 0.00 179.25 180.80 1wix h SER 72 N 0.47 0.65 0.08 0.00 0.87 -1.45 -0.75 113.55 113.42 1wix h SER 72 Ca 0.42 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1wix h SER 72 Cb 0.63 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1wix h SER 72 CO -0.39 0.13 -0.04 0.78 -0.53 0.00 0.00 176.83 176.78 1wix h ASN 73 N 0.58 -0.09 -0.98 6.23 2.35 -0.80 -3.16 115.58 119.70 1wix h ASN 73 Ca 0.62 -0.43 0.32 0.00 -0.55 0.00 0.00 56.30 56.26 1wix h ASN 73 Cb 1.22 0.02 -0.16 0.00 0.05 0.00 0.00 38.32 39.46 1wix h ASN 73 CO -0.42 0.56 0.47 -0.07 -1.65 0.00 0.00 177.43 176.32 1wix h LEU 74 N -0.94 0.33 0.29 1.61 3.38 -0.65 0.21 115.31 119.53 1wix h LEU 74 Ca -0.01 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1wix h LEU 74 Cb 0.52 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1wix h LEU 74 CO 0.02 -0.21 -0.14 0.11 0.09 0.00 0.00 178.44 178.31 1wix h LYS 75 N 0.22 -0.37 -0.69 1.13 1.57 -1.25 0.96 116.57 118.15 1wix h LYS 75 Ca 0.71 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.55 1wix h LYS 75 Cb 1.65 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 34.01 1wix h LYS 75 CO -0.66 -0.16 0.45 0.87 -0.57 0.00 0.00 179.45 179.38 1wix h LYS 76 N -0.51 0.83 -0.17 3.15 1.57 -0.70 -0.76 116.57 119.99 1wix h LYS 76 Ca -0.04 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 1wix h LYS 76 Cb 0.38 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1wix h LYS 76 CO 0.06 0.55 -0.55 0.28 -0.57 0.00 0.00 179.45 179.22 1wix h VAL 77 N 0.85 1.33 0.22 0.50 2.07 -0.53 -1.37 116.25 119.32 1wix h VAL 77 Ca 0.27 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1wix h VAL 77 Cb 0.02 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1wix h VAL 77 CO -0.07 0.56 -0.10 0.25 0.02 0.00 0.00 177.57 178.22 1wix h LEU 78 N 0.38 -0.25 -0.87 2.57 6.46 0.05 -3.08 115.31 120.57 1wix h LEU 78 Ca 0.01 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1wix h LEU 78 Cb 1.08 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.03 1wix h LEU 78 CO 0.10 0.17 0.51 -0.74 -0.62 0.00 0.00 178.44 177.86 1wix h HIS 79 N -0.72 1.17 -0.95 1.25 2.76 -1.24 -1.95 115.15 115.47 1wix h HIS 79 Ca -0.03 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.31 1wix h HIS 79 Cb 0.49 -0.38 -0.08 0.00 1.55 0.00 0.00 27.41 28.99 1wix h HIS 79 CO 0.05 0.79 0.60 0.78 -1.30 0.00 0.00 177.93 178.85 1wix h GLY 80 N 1.21 1.35 0.04 5.26 0.00 -1.27 0.76 103.07 110.43 1wix h GLY 80 Ca 0.31 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1wix h GLY 80 CO -0.06 0.01 -0.01 -2.22 0.00 0.00 0.00 176.54 174.27 1wix h ILE 81 N 0.65 1.18 -0.94 2.60 2.04 -1.35 -3.12 117.51 118.58 1wix h ILE 81 Ca 0.51 -1.82 0.19 0.00 1.00 0.00 0.00 64.86 64.74 1wix h ILE 81 Cb 0.92 2.20 -0.11 0.00 -0.74 0.00 0.00 36.82 39.09 1wix h ILE 81 CO -0.27 0.39 0.52 0.71 0.00 0.00 0.00 178.15 179.50 1wix h THR 82 N -0.98 0.65 -0.57 -0.27 1.35 -1.04 0.13 112.91 112.18 1wix h THR 82 Ca -0.00 -0.22 -0.07 0.00 -0.55 0.00 0.00 66.41 65.57 1wix h THR 82 Cb 0.65 -0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.01 1wix h THR 82 CO 0.00 0.12 0.09 0.28 -0.25 0.00 0.00 175.52 175.76 1wix h SER 83 N 0.64 0.87 0.53 5.36 0.02 -0.97 -1.79 113.55 118.20 1wix h SER 83 Ca 0.55 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1wix h SER 83 Cb 0.90 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1wix h SER 83 CO -0.42 0.88 0.00 0.22 -1.14 0.00 0.00 176.83 176.37 1wix h TYR 84 N 0.87 0.00 0.00 3.45 3.20 -0.69 0.51 116.97 124.31 1wix h TYR 84 Ca 0.18 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.79 1wix h TYR 84 Cb 0.39 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1wix h TYR 84 CO 0.02 0.00 -1.67 0.66 -1.64 0.00 0.00 178.16 175.53 1wix n TYR 85 N -2.87 0.90 0.01 -3.82 4.01 -0.73 -2.00 117.16 112.65 1wix n TYR 85 Ca -0.01 0.32 -0.03 0.00 -0.16 0.00 0.00 57.90 58.02 1wix n TYR 85 Cb 0.19 -1.13 -0.11 0.00 -0.31 0.00 0.00 39.34 37.98 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 -2.96 0.87 -0.00 -0.72 8.25 -0.65 0.22 115.22 120.23 1wix n HIS 86 Ca -0.16 0.30 -0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1wix n HIS 86 Cb 0.98 -1.08 -0.00 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.89 0.00 0.00 -0.41 -0.58 0.17 -3.61 120.64 113.32 1wix n GLU 87 Ca -0.13 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1wix n GLU 87 Cb 0.91 -0.61 0.00 0.00 -0.57 0.00 0.00 31.44 31.17 1wix n GLU 87 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1wix n PHE 88 N -2.40 0.00 -0.04 -0.32 -0.00 -1.05 -3.73 117.46 109.92 1wix n PHE 88 Ca -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 1wix n PHE 88 Cb 0.00 -0.49 -0.08 0.00 -0.00 0.00 0.00 39.48 38.91 1wix n PHE 88 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1wix h LEU 89 N 0.00 0.21 0.00 -2.13 3.38 -1.52 -3.48 115.31 111.77 1wix h LEU 89 Ca 0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 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 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1wix n GLY 90 N 0.20 2.86 3.83 0.83 0.00 0.37 -4.95 105.19 108.33 1wix n GLY 90 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1wix n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wix n GLN 91 N -1.19 -1.41 -3.40 1.61 10.64 0.58 -4.54 117.38 119.67 1wix n GLN 91 Ca 0.00 -2.03 -0.17 0.00 -1.83 0.00 0.00 57.00 52.97 1wix n GLN 91 Cb 0.00 -1.38 -0.04 0.00 -0.86 0.00 0.00 30.24 27.96 1wix n GLN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wix n GLN 92 N -3.88 1.24 -4.87 2.61 10.64 -1.24 -1.63 117.38 120.25 1wix n GLN 92 Ca 0.17 -1.95 -0.27 0.00 -1.83 0.00 0.00 57.00 53.12 1wix n GLN 92 Cb 0.58 0.61 -0.16 0.00 -0.86 0.00 0.00 30.24 30.41 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 -2.05 1.49 0.38 -0.39 1.01 -1.26 -4.19 121.20 116.20 1wix s ILE 93 Ca 0.02 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 59.69 1wix s ILE 93 Cb 0.00 -1.28 -0.10 0.00 0.01 0.00 0.00 42.46 41.08 1wix s ILE 93 CO 0.01 0.43 0.95 -0.44 0.00 0.00 0.00 174.94 175.89 1wix s SER 94 N 0.08 7.10 0.43 3.58 0.01 -1.26 -4.89 113.70 118.75 1wix s SER 94 Ca -0.05 1.77 0.17 0.00 1.31 0.00 0.00 55.95 59.15 1wix s SER 94 Cb -0.12 -2.56 0.94 0.00 0.21 0.00 0.00 66.02 64.49 1wix s SER 94 CO 0.03 -0.24 1.46 -0.33 0.41 0.00 0.00 173.24 174.57 1wix h GLU 95 N 2.48 0.00 -0.05 12.44 3.07 -1.97 0.39 114.58 130.94 1wix h GLU 95 Ca -0.48 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.27 1wix h GLU 95 Cb 1.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 1wix h GLU 95 CO 0.63 0.00 -0.48 0.93 -1.40 0.00 0.00 179.01 178.69 1wix h GLU 96 N 0.00 0.12 0.00 2.33 4.39 -2.00 -3.13 114.58 116.28 1wix h GLU 96 Ca 0.00 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.41 1wix h GLU 96 Cb 0.67 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 1wix h GLU 96 CO 0.00 0.57 -1.79 1.28 -1.16 0.00 0.00 179.01 177.91 1wix n LEU 97 N -3.97 0.56 -4.45 1.33 4.77 0.13 -4.89 117.00 110.49 1wix n LEU 97 Ca -0.02 0.25 -0.49 0.00 -0.03 0.00 0.00 56.01 55.73 1wix n LEU 97 Cb 0.51 0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.72 1wix n LEU 97 CO 0.41 0.28 1.86 -0.38 -1.33 0.00 0.00 177.39 178.23 1wix n ILE 98 N -2.83 0.14 -2.18 -0.08 2.08 -0.97 -4.68 119.36 110.84 1wix n ILE 98 Ca -0.17 -0.27 -0.42 0.00 0.56 0.00 0.00 62.75 62.45 1wix n ILE 98 Cb 0.95 -1.59 -0.03 0.00 -0.75 0.00 0.00 39.64 38.22 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 6.64 4.27 -0.94 0.38 0.04 -1.26 -4.94 135.00 139.19 1wix s PRO 99 Ca 1.11 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 63.93 1wix s PRO 99 Cb -0.86 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 30.15 1wix s PRO 99 CO 0.48 -0.59 1.51 -0.51 0.04 0.00 0.00 177.00 177.93 1wix s ASP 100 N 1.91 6.19 0.11 6.66 1.01 -1.26 -4.83 116.67 126.46 1wix s ASP 100 Ca 0.65 -1.08 -0.17 0.00 0.71 0.00 0.00 52.55 52.66 1wix s ASP 100 Cb -0.33 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 40.99 1wix s ASP 100 CO 0.27 -1.79 1.61 -0.07 0.21 0.00 0.00 175.17 175.41 1wix h LEU 101 N 13.73 0.49 -1.11 1.23 3.38 -1.94 -1.88 115.31 129.21 1wix h LEU 101 Ca 0.08 -0.22 0.20 0.00 0.09 0.00 0.00 57.88 58.03 1wix h LEU 101 Cb 1.02 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 1wix h LEU 101 CO 1.36 0.58 0.62 0.78 0.09 0.00 0.00 178.44 181.87 1wix h ASN 102 N 0.37 0.70 0.92 -0.43 2.35 -1.98 0.85 115.58 118.36 1wix h ASN 102 Ca 0.10 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1wix h ASN 102 Cb 0.28 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1wix h ASN 102 CO -0.00 0.23 -0.22 0.00 -1.65 0.00 0.00 177.43 175.79 1wix n GLN 103 N -4.73 0.08 -0.01 0.81 3.00 -1.06 -2.14 117.38 113.33 1wix n GLN 103 Ca 0.23 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1wix n GLN 103 Cb 0.63 -1.57 -0.12 0.00 0.00 0.00 0.00 30.24 29.18 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 -1.70 0.95 -0.03 5.09 5.41 0.24 0.31 119.36 129.62 1wix n ILE 104 Ca 0.06 -0.69 -0.08 0.00 1.00 0.00 0.00 62.75 63.04 1wix n ILE 104 Cb 0.37 -0.48 -0.14 0.00 -0.71 0.00 0.00 39.64 38.68 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 -2.69 1.48 -0.07 1.39 -1.04 0.19 -2.30 114.28 111.23 1wix n THR 105 Ca -0.15 -0.80 -0.17 0.00 -2.04 0.00 0.00 64.05 60.89 1wix n THR 105 Cb 0.86 -0.84 -0.13 0.00 -1.82 0.00 0.00 70.33 68.39 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 -2.94 0.69 -0.08 -2.82 1.02 -0.91 -4.71 120.64 110.89 1wix n GLU 106 Ca -0.20 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 56.98 1wix n GLU 106 Cb 1.05 -1.61 -0.07 0.00 -0.02 0.00 0.00 31.44 30.79 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 -3.36 -0.13 -1.61 0.00 0.00 0.15 -4.93 120.51 110.63 1wix n ALA 108 Ca -0.31 0.06 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1wix n ALA 108 Cb 0.77 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 1.04 1.45 0.20 0.00 2.03 -1.19 -4.74 116.55 115.33 1wix n ASP 109 Ca -0.06 1.13 0.05 0.00 0.52 0.00 0.00 54.79 56.43 1wix n ASP 109 Cb 0.38 -1.34 0.39 0.00 -0.72 0.00 0.00 41.12 39.84 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 1.89 0.00 -0.23 -0.67 0.13 -1.93 -1.47 132.00 129.72 1wix h PRO 110 Ca -0.42 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.55 1wix h PRO 110 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1wix h PRO 110 CO 0.59 0.35 -0.49 0.28 -0.23 0.00 0.00 178.00 178.50 1wix h VAL 111 N 0.00 1.31 0.00 1.56 2.07 -1.96 -3.02 116.25 116.21 1wix h VAL 111 Ca -0.00 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1wix h VAL 111 Cb 0.76 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1wix h VAL 111 CO 0.05 0.54 -0.12 -0.33 0.02 0.00 0.00 177.57 177.72 1wix h GLU 112 N 0.49 0.00 -0.81 1.57 4.39 -1.90 -3.32 114.58 115.00 1wix h GLU 112 Ca 0.02 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.88 1wix h GLU 112 Cb 1.03 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.53 1wix h GLU 112 CO 0.10 0.97 -0.21 1.25 -1.16 0.00 0.00 179.01 179.96 1wix h LEU 113 N -1.00 -0.76 -1.29 1.33 7.12 -1.36 0.52 115.31 119.87 1wix h LEU 113 Ca -0.03 0.24 0.13 0.00 0.13 0.00 0.00 57.88 58.35 1wix h LEU 113 Cb 1.00 0.51 -0.07 0.00 -0.53 0.00 0.00 40.66 41.57 1wix h LEU 113 CO -0.02 -0.27 0.56 1.23 -0.13 0.00 0.00 178.44 179.81 1wix h GLY 114 N -0.00 1.17 -0.31 3.75 0.00 -1.67 -2.04 103.07 103.97 1wix h GLY 114 Ca 0.39 -0.31 0.16 0.00 0.00 0.00 0.00 47.33 47.57 1wix h GLY 114 CO -0.83 0.13 0.00 3.21 0.00 0.00 0.00 176.54 179.04 1wix h ARG 115 N 0.73 0.10 -0.23 4.80 2.47 -0.04 0.13 114.38 122.34 1wix h ARG 115 Ca 0.42 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 59.11 1wix h ARG 115 Cb 0.61 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 1wix h ARG 115 CO -0.19 0.07 0.05 1.25 0.56 0.00 0.00 179.97 181.71 1wix h LEU 116 N 0.10 0.35 -1.77 3.04 5.85 -1.39 -2.68 115.31 118.82 1wix h LEU 116 Ca 0.40 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1wix h LEU 116 Cb 0.69 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1wix h LEU 116 CO -0.65 0.49 0.31 -0.07 -0.34 0.00 0.00 178.44 178.19 1wix h LEU 117 N 0.19 0.25 -0.34 2.25 3.38 -0.96 -1.65 115.31 118.42 1wix h LEU 117 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1wix h LEU 117 Cb 0.28 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1wix h LEU 117 CO 0.00 0.16 0.06 -0.61 0.09 0.00 0.00 178.44 178.14 1wix h GLN 118 N 0.28 0.56 -0.52 1.13 4.15 -0.49 -2.30 115.11 117.93 1wix h GLN 118 Ca 0.21 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1wix h GLN 118 Cb 0.46 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 1wix h GLN 118 CO -0.04 0.64 0.30 -0.07 -1.93 0.00 0.00 178.83 177.72 1wix h LEU 119 N 0.40 0.63 -1.12 -2.39 4.07 -1.13 -1.64 115.31 114.13 1wix h LEU 119 Ca 0.10 -0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.01 1wix h LEU 119 Cb 0.35 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 1wix h LEU 119 CO 0.01 0.52 0.60 0.40 -1.08 0.00 0.00 178.44 178.89 1wix h ILE 120 N 0.69 1.19 -0.46 1.22 2.04 -1.34 -2.33 117.51 118.52 1wix h ILE 120 Ca 0.18 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1wix h ILE 120 Cb 0.02 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1wix h ILE 120 CO -0.03 0.22 -0.09 0.25 0.00 0.00 0.00 178.15 178.49 1wix h LEU 121 N 1.18 0.88 0.07 1.44 5.85 -0.98 -3.09 115.31 120.67 1wix h LEU 121 Ca 0.35 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1wix h LEU 121 Cb -0.06 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 1wix h LEU 121 CO -0.09 1.03 -0.35 1.23 -0.34 0.00 0.00 178.44 179.92 1wix h GLY 122 N 0.72 -0.65 1.90 3.75 0.00 -0.76 0.96 103.07 108.99 1wix h GLY 122 Ca 0.12 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1wix h GLY 122 CO 0.04 -0.25 0.04 0.00 0.00 0.00 0.00 176.54 176.37 1wix n ALA 124 N -1.81 3.35 0.05 0.00 0.00 0.23 -3.87 120.51 118.46 1wix n ALA 124 Ca -0.02 -0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.14 1wix n ALA 124 Cb 0.08 -1.06 0.15 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.89 0.66 -2.19 0.00 3.14 0.10 -4.06 118.33 114.09 1wix n VAL 125 Ca 0.03 -0.83 0.05 0.00 -2.96 0.00 0.00 64.34 60.63 1wix n VAL 125 Cb 0.41 0.77 0.09 0.00 -1.06 0.00 0.00 33.84 34.05 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 0.77 1.25 -4.19 6.55 3.02 -0.89 -4.98 115.26 116.79 1wix n ASN 126 Ca 0.12 -2.66 -0.27 0.00 -0.03 0.00 0.00 54.58 51.74 1wix n ASN 126 Cb 0.43 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.27 0.00 0.00 4.11 -1.93 -3.03 114.58 114.01 1wix h GLU 128 Ca -0.35 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1wix h GLU 128 Cb 1.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1wix h GLU 128 CO 0.58 0.74 0.00 1.63 0.07 0.00 0.00 179.01 182.02 1wix n LYS 129 N -4.59 0.52 -0.23 1.06 5.02 -1.26 -4.18 118.16 114.50 1wix n LYS 129 Ca -0.07 0.00 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 -1.24 -0.06 -0.21 1.97 2.85 -1.14 0.19 118.16 120.52 1wix n LYS 130 Ca 0.16 1.01 0.01 0.00 -1.05 0.00 0.00 58.31 58.43 1wix n LYS 130 Cb 0.22 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.19 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 0.06 -0.30 -1.58 1.08 -1.82 0.70 115.11 113.25 1wix h GLN 131 Ca 0.30 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.59 1wix h GLN 131 Cb 0.47 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1wix h GLN 131 CO -0.66 0.04 0.46 1.49 -0.95 0.00 0.00 178.83 179.21 1wix h GLU 132 N 0.06 0.00 0.01 1.46 4.22 0.18 -1.67 114.58 118.85 1wix h GLU 132 Ca 0.32 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 59.43 1wix h GLU 132 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1wix h GLU 132 CO -0.59 0.00 -1.81 0.72 -2.18 0.00 0.00 179.01 175.15 1wix n HIS 133 N -3.40 0.69 -0.35 0.92 8.25 0.22 -4.24 115.22 117.31 1wix n HIS 133 Ca 0.05 0.26 0.32 0.00 -0.26 0.00 0.00 57.72 58.10 1wix n HIS 133 Cb 0.60 -1.07 0.59 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.82 0.04 -0.55 1.59 5.03 0.14 1.65 117.51 124.59 1wix h ILE 134 Ca -0.48 -0.01 -0.06 0.00 -0.12 0.00 0.00 64.86 64.18 1wix h ILE 134 Cb 1.52 -0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 35.28 1wix h ILE 134 CO -0.23 0.01 0.09 0.07 -0.68 0.00 0.00 178.15 177.40 1wix h LYS 135 N 0.04 0.88 -0.11 2.37 2.10 -1.68 -2.31 116.57 117.87 1wix h LYS 135 Ca 0.84 -0.21 0.03 0.00 -2.00 0.00 0.00 60.65 59.31 1wix h LYS 135 Cb 2.28 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 33.49 1wix h LYS 135 CO -0.70 0.82 0.08 -0.91 -2.00 0.00 0.00 179.45 176.74 1wix h ASN 136 N 0.84 0.00 -0.07 7.07 2.35 0.23 -1.57 115.58 124.43 1wix h ASN 136 Ca 0.17 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.71 1wix h ASN 136 Cb 0.37 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.75 1wix h ASN 136 CO 0.01 0.00 -0.77 0.40 -1.65 0.00 0.00 177.43 175.42 1wix h ILE 137 N 0.00 1.30 -0.38 2.81 5.03 -1.21 -3.15 117.51 121.91 1wix h ILE 137 Ca 0.05 -2.00 -0.04 0.00 -0.12 0.00 0.00 64.86 62.75 1wix h ILE 137 Cb 0.21 2.00 -0.02 0.00 -3.03 0.00 0.00 36.82 35.98 1wix h ILE 137 CO -0.00 0.63 0.07 0.24 -0.68 0.00 0.00 178.15 178.41 1wix h MET 138 N 0.49 0.57 0.00 2.37 2.86 -1.19 -1.73 114.93 118.30 1wix h MET 138 Ca -0.05 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1wix h MET 138 Cb 1.39 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 1wix h MET 138 CO 0.15 0.54 -0.12 0.00 1.06 0.00 0.00 176.91 178.55 1wix h THR 139 N 0.55 0.35 -4.15 2.22 1.03 -1.43 -3.45 112.91 108.04 1wix h THR 139 Ca 0.13 -0.75 -0.50 0.00 -0.01 0.00 0.00 66.41 65.27 1wix h THR 139 Cb 0.25 1.56 0.16 0.00 -1.07 0.00 0.00 68.15 69.06 1wix h THR 139 CO 0.00 0.12 0.25 -0.76 -0.01 0.00 0.00 175.52 175.12 1wix s LEU 140 N -6.65 2.59 0.94 0.00 1.43 -0.65 -4.98 118.68 111.36 1wix s LEU 140 Ca -0.00 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 1wix s LEU 140 Cb 0.10 -4.28 0.11 0.00 0.03 0.00 0.00 46.19 42.16 1wix s LEU 140 CO 0.58 -2.68 0.86 1.21 0.23 0.00 0.00 176.35 176.56 1wix n GLU 141 N -3.94 -0.48 0.13 1.70 4.07 -1.26 -4.56 120.64 116.30 1wix n GLU 141 Ca 0.09 -0.09 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 1wix n GLU 141 Cb 0.53 -2.18 -0.06 0.00 -0.06 0.00 0.00 31.44 29.68 1wix n GLU 141 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1wix h GLU 142 N -1.81 -0.52 -0.27 5.31 4.81 -1.93 0.20 114.58 120.36 1wix h GLU 142 Ca -0.44 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.90 1wix h GLU 142 Cb 1.28 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 1wix h GLU 142 CO 0.39 -0.35 0.19 0.66 -0.73 0.00 0.00 179.01 179.17 1wix h SER 143 N -0.54 0.02 0.09 1.04 4.64 -2.01 -2.51 113.55 114.28 1wix h SER 143 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1wix h SER 143 Cb 0.55 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1wix h SER 143 CO -0.15 0.01 -0.04 0.58 -0.87 0.00 0.00 176.83 176.36 1wix h VAL 144 N 0.02 1.10 -1.20 0.95 2.07 -1.58 -3.17 116.25 114.45 1wix h VAL 144 Ca 0.13 -1.34 0.34 0.00 0.82 0.00 0.00 66.70 66.65 1wix h VAL 144 Cb 0.48 1.88 -0.08 0.00 -1.52 0.00 0.00 31.29 32.04 1wix h VAL 144 CO -0.00 0.30 0.81 1.56 0.02 0.00 0.00 177.57 180.25 1wix h GLN 145 N -0.81 0.17 0.20 1.57 4.20 -0.23 0.18 115.11 120.39 1wix h GLN 145 Ca -0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1wix h GLN 145 Cb 0.58 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1wix h GLN 145 CO 0.02 0.11 -0.09 1.25 -0.67 0.00 0.00 178.83 179.45 1wix h HIS 146 N 0.18 -0.25 -0.32 2.96 2.76 -1.52 -0.56 115.15 118.40 1wix h HIS 146 Ca 0.65 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.88 1wix h HIS 146 Cb 2.10 0.08 -0.06 0.00 1.55 0.00 0.00 27.41 31.08 1wix h HIS 146 CO -0.00 -0.15 -0.08 0.28 -1.30 0.00 0.00 177.93 176.67 1wix h VAL 147 N -0.35 0.67 -0.82 5.26 2.07 -1.35 0.44 116.25 122.18 1wix h VAL 147 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1wix h VAL 147 Cb 0.20 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1wix h VAL 147 CO 0.04 0.00 0.47 0.58 0.02 0.00 0.00 177.57 178.68 1wix h VAL 148 N -0.00 0.91 -0.12 2.57 2.07 -0.77 -1.29 116.25 119.62 1wix h VAL 148 Ca 0.15 -0.27 -0.17 0.00 0.82 0.00 0.00 66.70 67.23 1wix h VAL 148 Cb 0.24 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1wix h VAL 148 CO -0.33 0.14 -0.66 0.24 0.02 0.00 0.00 177.57 176.98 1wix h MET 149 N 0.79 0.46 -0.19 1.57 2.86 -0.10 -3.25 114.93 117.07 1wix h MET 149 Ca 0.39 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1wix h MET 149 Cb 0.35 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1wix h MET 149 CO -0.24 0.96 0.11 1.15 1.06 0.00 0.00 176.91 179.95 1wix h THR 150 N 0.33 1.02 -0.91 2.22 2.02 0.90 -2.66 112.91 115.83 1wix h THR 150 Ca -0.02 -0.08 0.25 0.00 0.77 0.00 0.00 66.41 67.33 1wix h THR 150 Cb 1.22 0.77 -0.16 0.00 -1.74 0.00 0.00 68.15 68.24 1wix h THR 150 CO 0.12 0.04 0.14 0.00 0.37 0.00 0.00 175.52 176.19 1wix h ALA 151 N 1.08 1.21 -0.03 6.16 0.00 -1.32 0.16 119.26 126.53 1wix h ALA 151 Ca 0.07 0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1wix h ALA 151 Cb -0.01 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1wix h ALA 151 CO -0.03 -0.53 -0.10 0.82 0.00 0.00 0.00 179.25 179.41 1wix h ILE 152 N 0.10 0.73 -0.73 0.00 5.03 -1.59 0.16 117.51 121.21 1wix h ILE 152 Ca 0.56 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 65.42 1wix h ILE 152 Cb 1.16 0.73 -0.05 0.00 -3.03 0.00 0.00 36.82 35.63 1wix h ILE 152 CO -0.77 0.00 0.48 1.56 -0.68 0.00 0.00 178.15 178.75 1wix h GLN 153 N -0.16 0.53 0.00 2.37 1.08 -0.69 0.76 115.11 119.00 1wix h GLN 153 Ca 0.05 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 1wix h GLN 153 Cb 0.23 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 1wix h GLN 153 CO -0.13 0.35 -0.59 1.49 -0.95 0.00 0.00 178.83 179.00 1wix h GLU 154 N 0.55 0.00 0.00 1.46 4.81 -0.44 -2.51 114.58 118.45 1wix h GLU 154 Ca 0.35 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1wix h GLU 154 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1wix h GLU 154 CO -0.12 0.59 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.36 1wix h LEU 155 N 0.00 0.00 0.11 1.64 3.38 0.16 -2.14 115.31 118.46 1wix h LEU 155 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1wix h LEU 155 Cb 1.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1wix h LEU 155 CO 0.08 0.32 -1.82 0.24 0.09 0.00 0.00 178.44 177.35 1wix h MET 156 N 0.00 0.23 -0.21 1.13 2.86 -1.24 -3.07 114.93 114.64 1wix h MET 156 Ca -0.00 -0.39 -0.08 0.00 -2.06 0.00 0.00 59.70 57.16 1wix h MET 156 Cb 1.01 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 1wix h MET 156 CO 0.04 1.07 -0.18 1.03 1.06 0.00 0.00 176.91 179.93 1wix h SER 157 N 0.06 0.52 -0.48 1.22 0.87 -1.47 -3.22 113.55 111.05 1wix h SER 157 Ca -0.35 -0.46 -0.10 0.00 -1.23 0.00 0.00 61.79 59.65 1wix h SER 157 Cb 2.04 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.84 1wix h SER 157 CO 0.11 0.87 -0.08 0.11 -0.53 0.00 0.00 176.83 177.32 1wix h LYS 158 N 0.17 0.90 -5.79 2.24 1.79 -1.56 -3.41 116.57 110.90 1wix h LYS 158 Ca 0.04 -0.33 -0.52 0.00 -2.18 0.00 0.00 60.65 57.66 1wix h LYS 158 Cb 0.72 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1wix h LYS 158 CO 0.05 0.98 1.56 -1.12 -1.08 0.00 0.00 179.45 179.83 1wix s SER 159 N -6.49 4.89 0.03 0.86 0.01 -1.16 -4.40 113.70 107.44 1wix s SER 159 Ca -0.12 1.38 -0.06 0.00 1.31 0.00 0.00 55.95 58.47 1wix s SER 159 Cb 0.12 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 1wix s SER 159 CO 0.84 -2.48 0.27 -0.83 0.41 0.00 0.00 173.24 171.45 1wix s GLY 160 N 10.39 2.24 1.09 3.44 0.00 -1.26 -4.91 107.32 118.31 1wix s GLY 160 Ca 0.97 -0.60 -0.15 0.00 0.00 0.00 0.00 44.72 44.94 1wix s GLY 160 CO 0.30 -0.44 1.10 2.56 0.00 0.00 0.00 173.10 176.61 1wix s PRO 161 N -1.93 -0.35 0.28 2.90 0.04 -1.26 -3.62 135.00 131.06 1wix s PRO 161 Ca 0.30 0.25 -0.08 0.00 0.04 0.00 0.00 61.00 61.51 1wix s PRO 161 Cb -0.13 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 1wix s PRO 161 CO 0.18 -3.19 0.44 0.45 0.04 0.00 0.00 177.00 174.92 1wix s SER 162 N -3.64 0.30 -0.14 6.66 0.15 -1.26 -4.95 113.70 110.82 1wix s SER 162 Ca 0.68 -1.20 -0.29 0.00 0.70 0.00 0.00 55.95 55.84 1wix s SER 162 Cb -0.15 0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1wix s SER 162 CO 0.57 -1.18 1.31 -0.44 1.20 0.00 0.00 173.24 174.70 1wix s SER 163 N -3.12 6.92 0.00 5.45 0.01 -1.26 -5.14 113.70 116.57 1wix s SER 163 Ca 0.27 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.31 1wix s SER 163 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wix s SER 163 CO 0.14 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.63