#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ayk s ARG 8 N 0.00 1.09 -0.22 -0.52 0.52 -1.26 -4.88 118.95 113.68 3ayk s ARG 8 Ca 0.00 -1.18 -0.28 0.00 -0.52 0.00 0.00 55.73 53.75 3ayk s ARG 8 Cb 0.00 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.83 3ayk s ARG 8 CO 0.00 -0.38 0.98 -1.58 0.02 0.00 0.00 175.30 174.33 3ayk s TRP 9 N -3.96 3.36 -0.94 -0.53 0.52 -1.26 -4.89 118.94 111.24 3ayk s TRP 9 Ca 0.17 1.39 0.27 0.00 0.02 0.00 0.00 56.10 57.95 3ayk s TRP 9 Cb 0.04 -3.19 0.92 0.00 -1.15 0.00 0.00 33.47 30.09 3ayk s TRP 9 CO -0.01 -0.42 1.73 0.39 0.02 0.00 0.00 176.95 178.66 3ayk n GLU 10 N 6.04 0.06 -2.77 4.98 1.02 -1.26 -4.84 120.64 123.86 3ayk n GLU 10 Ca 0.10 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.95 3ayk n GLU 10 Cb 0.47 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 3ayk n GLU 10 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3ayk s GLN 11 N -3.03 3.96 0.00 3.49 -0.21 -1.26 -4.96 119.66 117.65 3ayk s GLN 11 Ca 0.12 0.78 0.24 0.00 0.02 0.00 0.00 55.36 56.52 3ayk s GLN 11 Cb 0.17 -2.28 0.34 0.00 1.00 0.00 0.00 33.01 32.24 3ayk s GLN 11 CO 0.60 -0.06 1.31 0.25 -2.12 0.00 0.00 175.29 175.26 3ayk n THR 12 N -1.06 0.00 -4.79 -0.19 -2.24 -1.26 -4.87 114.28 99.87 3ayk n THR 12 Ca 0.05 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.37 3ayk n THR 12 Cb 0.54 0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 3ayk n THR 12 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ayk s HIS 13 N -2.47 1.53 0.11 4.78 3.76 -1.26 -2.27 115.29 119.47 3ayk s HIS 13 Ca 0.22 -0.32 0.05 0.00 -0.15 0.00 0.00 55.06 54.86 3ayk s HIS 13 Cb 0.19 -1.00 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 3ayk s HIS 13 CO 0.54 -0.05 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.73 3ayk s LEU 14 N -0.29 2.39 0.10 0.89 1.43 -0.29 -4.96 118.68 117.95 3ayk s LEU 14 Ca 0.04 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.43 3ayk s LEU 14 Cb -0.07 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 3ayk s LEU 14 CO -0.00 -0.17 -0.21 0.42 0.23 0.00 0.00 176.35 176.62 3ayk s THR 15 N -2.14 1.72 0.05 5.49 -4.23 -1.26 -2.03 115.64 113.25 3ayk s THR 15 Ca 0.07 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 3ayk s THR 15 Cb -0.05 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 3ayk s THR 15 CO 0.02 -0.04 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.31 3ayk s TYR 16 N -1.14 0.55 -0.15 3.99 1.13 -1.06 -1.82 117.35 118.87 3ayk s TYR 16 Ca 0.07 -1.04 -0.12 0.00 -1.41 0.00 0.00 57.07 54.57 3ayk s TYR 16 Cb -0.10 -0.40 0.04 0.00 -1.10 0.00 0.00 41.96 40.41 3ayk s TYR 16 CO 0.04 -0.35 0.39 0.50 -2.51 0.00 0.00 175.55 173.62 3ayk s ARG 17 N -3.83 0.43 -0.19 -3.49 3.52 -0.99 -2.62 118.95 111.76 3ayk s ARG 17 Ca 0.07 0.59 -0.19 0.00 -0.13 0.00 0.00 55.73 56.07 3ayk s ARG 17 Cb 0.07 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.59 3ayk s ARG 17 CO -0.09 -0.08 0.54 0.42 -0.81 0.00 0.00 175.30 175.28 3ayk s ILE 18 N 0.50 5.09 0.11 4.11 1.01 -1.26 -1.96 121.20 128.80 3ayk s ILE 18 Ca -0.02 1.00 -0.17 0.00 0.00 0.00 0.00 60.65 61.46 3ayk s ILE 18 Cb -0.04 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 3ayk s ILE 18 CO -0.03 0.17 1.59 -0.08 0.00 0.00 0.00 174.94 176.60 3ayk h GLU 19 N 7.43 0.53 -2.55 2.79 4.81 -1.34 -3.47 114.58 122.79 3ayk h GLU 19 Ca -0.34 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3ayk h GLU 19 Cb 1.15 -0.06 -0.15 0.00 0.63 0.00 0.00 28.75 30.32 3ayk h GLU 19 CO 0.75 0.61 0.27 0.54 -0.73 0.00 0.00 179.01 180.44 3ayk s ASN 20 N -5.93 -0.55 -0.04 1.04 4.22 -1.26 -5.10 114.94 107.32 3ayk s ASN 20 Ca -0.13 0.21 -0.08 0.00 -2.14 0.00 0.00 52.86 50.71 3ayk s ASN 20 Cb 0.09 0.53 -0.05 0.00 1.28 0.00 0.00 41.25 43.10 3ayk s ASN 20 CO 0.75 -0.79 0.25 -0.31 -2.04 0.00 0.00 177.10 174.97 3ayk s TYR 21 N -2.84 3.62 0.28 1.54 1.51 -1.26 -4.65 117.35 115.55 3ayk s TYR 21 Ca -0.02 0.65 -0.29 0.00 -1.01 0.00 0.00 57.07 56.40 3ayk s TYR 21 Cb -0.01 -2.04 -0.09 0.00 -0.11 0.00 0.00 41.96 39.71 3ayk s TYR 21 CO -0.06 0.66 1.07 -0.08 -1.11 0.00 0.00 175.55 176.04 3ayk s THR 22 N -1.16 3.60 -0.38 -0.71 -1.32 -1.26 -4.91 115.64 109.50 3ayk s THR 22 Ca 0.22 1.57 0.18 0.00 -1.21 0.00 0.00 61.69 62.46 3ayk s THR 22 Cb -0.14 -3.99 0.19 0.00 -1.51 0.00 0.00 72.50 67.05 3ayk s THR 22 CO 0.11 0.35 1.57 -0.81 -2.21 0.00 0.00 174.62 173.63 3ayk n PRO 23 N 1.12 0.12 -0.37 7.08 -0.04 -1.26 -2.52 135.00 139.12 3ayk n PRO 23 Ca -0.01 0.57 -0.02 0.00 -0.04 0.00 0.00 63.50 64.01 3ayk n PRO 23 Cb 0.46 -1.87 0.11 0.00 -0.04 0.00 0.00 33.50 32.16 3ayk n PRO 23 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ayk h ASP 24 N 0.00 1.15 -4.91 3.54 3.32 -1.96 -3.43 116.42 114.13 3ayk h ASP 24 Ca 0.00 -0.04 -0.20 0.00 0.02 0.00 0.00 57.03 56.81 3ayk h ASP 24 Cb 0.06 -0.29 -0.21 0.00 0.22 0.00 0.00 39.33 39.11 3ayk h ASP 24 CO 0.00 0.84 -0.71 -0.76 -1.72 0.00 0.00 179.24 176.89 3ayk s LEU 25 N -10.10 2.25 0.00 1.55 1.43 -1.05 -5.00 118.68 107.76 3ayk s LEU 25 Ca -0.13 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.28 3ayk s LEU 25 Cb 0.18 0.01 0.27 0.00 0.03 0.00 0.00 46.19 46.69 3ayk s LEU 25 CO 0.82 -0.27 0.62 -0.81 0.23 0.00 0.00 176.35 176.94 3ayk n PRO 26 N 1.56 -4.07 0.03 1.29 -0.04 -1.26 -4.50 135.00 128.00 3ayk n PRO 26 Ca -0.24 -1.05 -0.21 0.00 -0.04 0.00 0.00 63.50 61.97 3ayk n PRO 26 Cb 0.55 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.51 3ayk n PRO 26 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3ayk h ARG 27 N 0.00 0.28 -0.66 0.54 0.11 -1.97 -3.15 114.38 109.53 3ayk h ARG 27 Ca -0.28 -0.48 0.10 0.00 0.10 0.00 0.00 59.98 59.41 3ayk h ARG 27 Cb 0.95 0.18 -0.07 0.00 1.11 0.00 0.00 29.97 32.14 3ayk h ARG 27 CO 0.17 1.19 0.29 0.00 0.10 0.00 0.00 179.97 181.71 3ayk h ALA 28 N 0.18 0.89 -0.37 0.08 0.00 -1.98 1.00 119.26 119.05 3ayk h ALA 28 Ca -0.38 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 3ayk h ALA 28 Cb 2.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 3ayk h ALA 28 CO 0.12 -0.13 -0.41 -0.44 0.00 0.00 0.00 179.25 178.38 3ayk h ASP 29 N 0.49 1.01 -0.29 0.00 5.19 -1.95 -2.27 116.42 118.60 3ayk h ASP 29 Ca 0.33 -0.47 -0.13 0.00 -0.62 0.00 0.00 57.03 56.14 3ayk h ASP 29 Cb 0.40 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 3ayk h ASP 29 CO -0.30 1.28 -0.31 0.58 -3.12 0.00 0.00 179.24 177.37 3ayk h VAL 30 N 0.76 1.30 -0.88 -1.35 2.07 -1.21 -2.55 116.25 114.38 3ayk h VAL 30 Ca 0.05 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.10 3ayk h VAL 30 Cb 1.01 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 3ayk h VAL 30 CO 0.10 0.48 0.58 -0.78 0.02 0.00 0.00 177.57 177.97 3ayk h ASP 31 N 0.47 1.00 -0.06 0.57 1.82 0.10 -0.53 116.42 119.79 3ayk h ASP 31 Ca 0.04 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 3ayk h ASP 31 Cb 0.89 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.65 3ayk h ASP 31 CO 0.08 0.72 0.04 -0.74 -1.61 0.00 0.00 179.24 177.73 3ayk h HIS 32 N 1.18 0.07 -0.42 0.28 2.76 -1.31 0.53 115.15 118.25 3ayk h HIS 32 Ca 0.33 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.54 3ayk h HIS 32 Cb -0.12 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 28.78 3ayk h HIS 32 CO -0.01 0.05 0.18 0.00 -1.30 0.00 0.00 177.93 176.85 3ayk h ALA 33 N 1.03 0.52 -0.38 5.26 0.00 -0.97 0.48 119.26 125.19 3ayk h ALA 33 Ca 0.02 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3ayk h ALA 33 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ayk h ALA 33 CO -0.01 -0.19 -0.40 0.82 0.00 0.00 0.00 179.25 179.47 3ayk h ILE 34 N 0.37 1.27 -0.50 0.00 1.08 -0.74 -2.50 117.51 116.49 3ayk h ILE 34 Ca 0.19 -1.57 -0.13 0.00 -0.39 0.00 0.00 64.86 62.95 3ayk h ILE 34 Cb 0.13 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3ayk h ILE 34 CO -0.16 0.53 -0.19 -0.08 -0.69 0.00 0.00 178.15 177.55 3ayk h GLU 35 N 0.76 1.01 -0.90 2.37 4.81 0.52 -2.88 114.58 120.28 3ayk h GLU 35 Ca 0.06 -0.42 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3ayk h GLU 35 Cb 1.00 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 3ayk h GLU 35 CO 0.10 1.11 0.56 -0.22 -0.73 0.00 0.00 179.01 179.82 3ayk h LYS 36 N 0.88 1.21 -0.38 1.92 3.64 0.04 -1.99 116.57 121.89 3ayk h LYS 36 Ca 0.12 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3ayk h LYS 36 Cb 0.78 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3ayk h LYS 36 CO 0.06 0.83 0.18 0.00 -2.27 0.00 0.00 179.45 178.26 3ayk h ALA 37 N 1.31 0.49 -0.93 5.00 0.00 -1.30 -1.75 119.26 122.07 3ayk h ALA 37 Ca 0.32 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3ayk h ALA 37 Cb -0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3ayk h ALA 37 CO -0.06 0.05 0.61 0.74 0.00 0.00 0.00 179.25 180.58 3ayk h PHE 38 N 0.48 1.18 -0.77 0.00 0.04 -1.26 -2.11 116.94 114.50 3ayk h PHE 38 Ca 0.13 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3ayk h PHE 38 Cb 0.11 -0.40 -0.04 0.00 2.20 0.00 0.00 35.95 37.83 3ayk h PHE 38 CO -0.01 0.75 0.45 1.96 -0.60 0.00 0.00 178.31 180.85 3ayk h GLN 39 N 1.27 1.05 -1.01 1.51 4.20 -0.89 0.18 115.11 121.41 3ayk h GLN 39 Ca 0.34 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.97 3ayk h GLN 39 Cb -0.13 -0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.38 3ayk h GLN 39 CO -0.07 0.76 0.66 -0.07 -0.67 0.00 0.00 178.83 179.44 3ayk h LEU 40 N 1.05 1.12 -0.03 1.46 3.38 -0.66 0.93 115.31 122.56 3ayk h LEU 40 Ca 0.27 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.97 3ayk h LEU 40 Cb -0.01 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.50 3ayk h LEU 40 CO -0.05 0.78 -0.99 -0.50 0.09 0.00 0.00 178.44 177.76 3ayk h TRP 41 N 1.30 1.06 -0.14 1.13 4.06 -1.04 -3.23 115.95 119.08 3ayk h TRP 41 Ca 0.39 -0.55 -0.13 0.00 2.06 0.00 0.00 58.89 60.65 3ayk h TRP 41 Cb -0.04 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 27.98 3ayk h TRP 41 CO -0.00 1.39 -0.49 1.03 -3.56 0.00 0.00 178.44 176.81 3ayk h SER 42 N 0.43 0.40 -0.01 -3.49 0.87 -0.12 -2.19 113.55 109.44 3ayk h SER 42 Ca -0.12 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3ayk h SER 42 Cb 1.64 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 3ayk h SER 42 CO 0.20 0.83 0.04 0.78 -0.53 0.00 0.00 176.83 178.14 3ayk h ASN 43 N 0.30 0.00 -0.02 6.23 2.35 0.86 -2.01 115.58 123.29 3ayk h ASN 43 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3ayk h ASN 43 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3ayk h ASN 43 CO 0.08 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.19 3ayk n VAL 44 N -3.35 0.15 -3.97 2.81 0.24 -1.12 -4.99 118.33 108.09 3ayk n VAL 44 Ca -0.03 -0.57 -0.13 0.00 -2.04 0.00 0.00 64.34 61.57 3ayk n VAL 44 Cb 0.11 0.99 -0.14 0.00 -1.47 0.00 0.00 33.84 33.33 3ayk n VAL 44 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ayk s THR 45 N -0.40 0.15 -2.00 3.34 -4.23 -0.76 -3.97 115.64 107.78 3ayk s THR 45 Ca 0.05 -0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 3ayk s THR 45 Cb 0.03 -0.13 0.05 0.00 1.34 0.00 0.00 72.50 73.78 3ayk s THR 45 CO 0.04 0.04 0.36 -0.81 -0.54 0.00 0.00 174.62 173.71 3ayk n PRO 46 N 3.03 0.13 -2.05 3.99 -0.04 -1.26 -4.51 135.00 134.29 3ayk n PRO 46 Ca -0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.00 3ayk n PRO 46 Cb 0.59 -1.19 0.02 0.00 -0.04 0.00 0.00 33.50 32.88 3ayk n PRO 46 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ayk s LEU 47 N -1.39 3.57 0.07 1.53 1.43 -1.26 -4.96 118.68 117.67 3ayk s LEU 47 Ca 0.02 2.01 0.06 0.00 -1.03 0.00 0.00 54.13 55.19 3ayk s LEU 47 Cb 0.01 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 3ayk s LEU 47 CO 0.02 -1.33 -0.16 0.42 0.23 0.00 0.00 176.35 175.54 3ayk s THR 48 N -2.16 1.24 0.16 5.49 -4.23 -0.96 -4.65 115.64 110.52 3ayk s THR 48 Ca 0.68 -1.33 0.08 0.00 -1.18 0.00 0.00 61.69 59.94 3ayk s THR 48 Cb -0.20 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 3ayk s THR 48 CO 0.34 -0.17 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.71 3ayk s PHE 49 N -1.22 1.76 -0.20 3.99 0.40 -1.26 -1.14 117.98 120.32 3ayk s PHE 49 Ca -0.00 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 55.72 3ayk s PHE 49 Cb -0.10 -0.88 0.06 0.00 0.51 0.00 0.00 43.02 42.61 3ayk s PHE 49 CO 0.03 0.30 0.50 0.99 0.70 0.00 0.00 175.22 177.74 3ayk s THR 50 N -2.07 -0.01 0.22 0.64 2.01 -0.86 -4.95 115.64 110.62 3ayk s THR 50 Ca 0.15 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 3ayk s THR 50 Cb -0.06 -0.73 -0.09 0.00 0.01 0.00 0.00 72.50 71.64 3ayk s THR 50 CO 0.06 0.02 0.96 -0.75 -0.69 0.00 0.00 174.62 174.22 3ayk s LYS 51 N 1.28 4.81 -0.07 4.92 2.20 -1.26 -2.55 119.74 129.07 3ayk s LYS 51 Ca -0.08 1.52 0.04 0.00 -0.36 0.00 0.00 55.97 57.09 3ayk s LYS 51 Cb -0.07 -3.29 -0.00 0.00 -1.51 0.00 0.00 37.83 32.97 3ayk s LYS 51 CO -0.12 0.44 -0.21 0.14 -0.36 0.00 0.00 175.35 175.23 3ayk s VAL 52 N -0.99 1.82 -2.51 4.02 -7.23 -1.08 -4.93 120.40 109.50 3ayk s VAL 52 Ca 0.42 -0.91 0.23 0.00 -1.81 0.00 0.00 61.98 59.92 3ayk s VAL 52 Cb -0.26 -1.57 0.40 0.00 0.56 0.00 0.00 36.38 35.51 3ayk s VAL 52 CO 0.33 0.51 1.44 -0.24 -0.31 0.00 0.00 175.10 176.82 3ayk n SER 53 N 3.34 2.83 -3.69 4.85 2.88 -1.26 -4.71 113.62 117.86 3ayk n SER 53 Ca -0.19 -1.90 -0.10 0.00 -1.33 0.00 0.00 58.87 55.35 3ayk n SER 53 Cb 0.53 -0.16 -0.05 0.00 -0.75 0.00 0.00 64.21 63.77 3ayk n SER 53 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3ayk s GLU 54 N -1.68 0.99 0.06 -1.46 2.02 -1.26 -5.13 118.70 112.25 3ayk s GLU 54 Ca 0.35 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.62 3ayk s GLU 54 Cb 0.21 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.87 3ayk s GLU 54 CO 0.30 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.62 3ayk n GLY 55 N -0.09 -1.96 3.81 -1.39 0.00 -1.26 -4.87 105.19 99.44 3ayk n GLY 55 Ca -0.16 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 3ayk n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ayk s GLN 56 N -2.05 4.32 0.09 1.61 -0.21 -1.26 -5.06 119.66 117.10 3ayk s GLN 56 Ca 0.00 1.11 0.06 0.00 0.02 0.00 0.00 55.36 56.55 3ayk s GLN 56 Cb 0.00 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.50 3ayk s GLN 56 CO 0.00 0.13 -0.05 0.00 -2.12 0.00 0.00 175.29 173.25 3ayk s ALA 57 N -1.91 3.12 0.25 6.09 0.00 -1.26 -5.01 121.76 123.03 3ayk s ALA 57 Ca 0.56 -1.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 3ayk s ALA 57 Cb -0.13 -1.05 0.26 0.00 0.00 0.00 0.00 23.12 22.19 3ayk s ALA 57 CO 0.18 0.67 1.93 -0.44 0.00 0.00 0.00 175.76 178.10 3ayk h ASP 58 N 3.58 1.15 -3.17 0.00 3.32 -1.75 -3.39 116.42 116.17 3ayk h ASP 58 Ca -0.48 -0.03 -0.67 0.00 0.02 0.00 0.00 57.03 55.87 3ayk h ASP 58 Cb 1.17 -0.29 -0.33 0.00 0.22 0.00 0.00 39.33 40.09 3ayk h ASP 58 CO 0.56 0.84 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.46 3ayk s ILE 59 N -6.12 2.39 -0.18 0.35 1.01 -0.75 -4.71 121.20 113.19 3ayk s ILE 59 Ca -0.13 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 3ayk s ILE 59 Cb 0.18 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3ayk s ILE 59 CO 0.82 0.49 0.07 -0.04 0.00 0.00 0.00 174.94 176.28 3ayk s MET 60 N 1.33 3.98 -0.13 2.79 -1.94 -1.25 -2.36 119.30 121.72 3ayk s MET 60 Ca 0.05 -0.32 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 3ayk s MET 60 Cb -0.14 -3.23 -0.01 0.00 2.01 0.00 0.00 34.83 33.46 3ayk s MET 60 CO -0.10 0.30 -0.15 0.42 -0.01 0.00 0.00 175.02 175.48 3ayk s ILE 61 N 0.31 2.90 0.06 2.53 1.01 -0.83 -0.88 121.20 126.30 3ayk s ILE 61 Ca 0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 3ayk s ILE 61 Cb -0.12 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.16 3ayk s ILE 61 CO -0.00 0.53 0.30 -0.94 0.00 0.00 0.00 174.94 174.83 3ayk s SER 62 N 0.38 -0.10 -0.08 3.58 1.04 -1.05 -0.74 113.70 116.73 3ayk s SER 62 Ca -0.12 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 3ayk s SER 62 Cb -0.16 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 3ayk s SER 62 CO 0.06 -0.67 0.02 -0.36 0.98 0.00 0.00 173.24 173.27 3ayk s PHE 63 N -2.95 3.22 0.23 5.02 0.40 -1.26 -2.48 117.98 120.16 3ayk s PHE 63 Ca -0.02 0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.56 3ayk s PHE 63 Cb 0.01 -1.80 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 3ayk s PHE 63 CO -0.06 0.51 0.03 0.14 0.70 0.00 0.00 175.22 176.54 3ayk s VAL 64 N -0.93 0.84 0.03 -0.44 -7.23 -1.11 -4.92 120.40 106.64 3ayk s VAL 64 Ca 0.14 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 3ayk s VAL 64 Cb -0.11 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 3ayk s VAL 64 CO 0.03 -0.24 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.40 3ayk s ARG 65 N -3.92 0.43 0.61 4.82 0.52 -1.26 -2.44 118.95 117.70 3ayk s ARG 65 Ca 0.31 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 3ayk s ARG 65 Cb 0.07 -0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.39 3ayk s ARG 65 CO 0.10 0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.84 3ayk n GLY 66 N 1.63 1.36 3.71 -3.53 0.00 -1.26 -4.15 105.19 102.95 3ayk n GLY 66 Ca -0.22 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3ayk n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ayk s ASP 67 N -4.00 7.23 -0.38 1.61 2.15 -1.26 -3.89 116.67 118.12 3ayk s ASP 67 Ca 0.00 1.79 0.12 0.00 0.43 0.00 0.00 52.55 54.89 3ayk s ASP 67 Cb 0.00 -2.57 0.43 0.00 -0.30 0.00 0.00 42.92 40.48 3ayk s ASP 67 CO 0.00 -0.38 0.99 0.00 -0.17 0.00 0.00 175.17 175.61 3ayk n HIS 68 N 4.13 2.08 -3.40 -5.34 1.44 -1.26 -4.94 115.22 107.93 3ayk n HIS 68 Ca 0.08 -3.06 -0.17 0.00 -2.01 0.00 0.00 57.72 52.56 3ayk n HIS 68 Cb 0.49 -0.28 0.08 0.00 0.12 0.00 0.00 29.99 30.40 3ayk n HIS 68 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3ayk n ARG 69 N -0.20 -5.55 -4.11 -1.40 1.74 -1.26 -5.01 116.66 100.86 3ayk n ARG 69 Ca 0.23 0.85 -0.08 0.00 -0.77 0.00 0.00 57.85 58.07 3ayk n ARG 69 Cb 0.73 -5.83 -0.10 0.00 -1.02 0.00 0.00 32.46 26.23 3ayk n ARG 69 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3ayk s ASP 70 N -4.13 0.44 0.00 0.55 -1.08 -1.26 -5.02 116.67 106.16 3ayk s ASP 70 Ca 0.11 -1.06 0.13 0.00 -0.52 0.00 0.00 52.55 51.21 3ayk s ASP 70 Cb -0.01 0.23 0.41 0.00 -1.46 0.00 0.00 42.92 42.08 3ayk s ASP 70 CO 0.74 -0.64 1.32 0.59 0.52 0.00 0.00 175.17 177.70 3ayk n ASN 71 N 0.05 1.85 -3.19 -0.34 4.13 -1.26 -4.28 115.26 112.23 3ayk n ASN 71 Ca -0.12 -1.94 -0.22 0.00 1.68 0.00 0.00 54.58 53.99 3ayk n ASN 71 Cb 0.62 -0.21 -0.05 0.00 -1.54 0.00 0.00 39.78 38.59 3ayk n ASN 71 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3ayk n SER 72 N 0.49 1.01 -4.75 6.41 7.64 -1.26 -5.12 113.62 118.05 3ayk n SER 72 Ca 0.13 -2.94 -0.38 0.00 1.01 0.00 0.00 58.87 56.69 3ayk n SER 72 Cb 0.31 -0.63 0.04 0.00 -1.01 0.00 0.00 64.21 62.92 3ayk n SER 72 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3ayk s PRO 73 N -1.92 3.06 0.33 1.43 0.05 -1.26 -4.97 135.00 131.72 3ayk s PRO 73 Ca 0.38 2.12 -0.27 0.00 0.05 0.00 0.00 61.00 63.29 3ayk s PRO 73 Cb 0.24 -2.16 -0.09 0.00 0.05 0.00 0.00 34.50 32.54 3ayk s PRO 73 CO -0.09 -1.22 1.04 -0.06 0.05 0.00 0.00 177.00 176.73 3ayk s PHE 74 N -1.37 3.52 -0.83 0.56 0.08 -1.25 -4.98 117.98 113.70 3ayk s PHE 74 Ca 0.74 1.71 0.01 0.00 0.12 0.00 0.00 56.93 59.51 3ayk s PHE 74 Cb -0.38 -3.15 0.26 0.00 -0.57 0.00 0.00 43.02 39.18 3ayk s PHE 74 CO 0.44 -0.38 0.95 -3.47 -0.10 0.00 0.00 175.22 172.66 3ayk n ASP 75 N 0.66 4.59 -0.34 1.36 -0.08 -1.26 -4.76 116.55 116.72 3ayk n ASP 75 Ca 0.01 -3.35 0.01 0.00 -1.51 0.00 0.00 54.79 49.95 3ayk n ASP 75 Cb 0.47 -0.93 -0.00 0.00 2.34 0.00 0.00 41.12 43.00 3ayk n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ayk n GLY 76 N 1.37 -1.80 0.06 0.27 0.00 -1.26 -3.65 105.19 100.18 3ayk n GLY 76 Ca 0.26 -1.31 0.05 0.00 0.00 0.00 0.00 46.02 45.02 3ayk n GLY 76 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ayk n PRO 77 N -0.85 0.06 -2.49 1.61 -0.02 -1.26 -4.67 135.00 127.38 3ayk n PRO 77 Ca 0.00 0.51 -0.25 0.00 -2.02 0.00 0.00 63.50 61.74 3ayk n PRO 77 Cb 0.03 -1.67 0.13 0.00 -0.02 0.00 0.00 33.50 31.97 3ayk n PRO 77 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ayk s GLY 78 N -3.21 1.76 0.00 -1.23 0.00 -1.24 -4.94 107.32 98.46 3ayk s GLY 78 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.01 3ayk s GLY 78 CO 0.12 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.75 3ayk n GLY 79 N -3.03 -1.09 3.78 0.20 0.00 -1.26 -4.27 105.19 99.52 3ayk n GLY 79 Ca 0.16 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 3ayk n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ayk s ASN 80 N -4.00 6.89 0.07 1.61 -0.87 -1.26 -4.95 114.94 112.43 3ayk s ASN 80 Ca 0.00 1.97 0.23 0.00 -1.57 0.00 0.00 52.86 53.49 3ayk s ASN 80 Cb 0.00 -2.58 0.09 0.00 -0.02 0.00 0.00 41.25 38.74 3ayk s ASN 80 CO 0.00 -0.39 1.07 0.18 -2.57 0.00 0.00 177.10 175.38 3ayk n LEU 81 N 0.01 0.62 -3.64 0.60 4.77 -1.26 -4.95 117.00 113.16 3ayk n LEU 81 Ca 0.05 0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 56.05 3ayk n LEU 81 Cb 0.50 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3ayk n LEU 81 CO 0.44 0.01 0.92 0.00 -1.33 0.00 0.00 177.39 177.44 3ayk s ALA 82 N -3.21 -2.01 0.35 -1.18 0.00 -1.26 -2.12 121.76 112.32 3ayk s ALA 82 Ca 0.04 0.76 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 3ayk s ALA 82 Cb 0.14 0.35 0.06 0.00 0.00 0.00 0.00 23.12 23.67 3ayk s ALA 82 CO 0.79 -0.92 0.85 -3.38 0.00 0.00 0.00 175.76 173.10 3ayk s HIS 83 N -2.72 0.13 0.18 0.00 -3.43 -1.08 -5.00 115.29 103.36 3ayk s HIS 83 Ca 0.12 -0.76 -0.23 0.00 -0.80 0.00 0.00 55.06 53.39 3ayk s HIS 83 Cb 0.02 0.82 0.06 0.00 -1.43 0.00 0.00 32.58 32.04 3ayk s HIS 83 CO -0.03 -1.45 0.72 0.00 -2.00 0.00 0.00 174.74 171.98 3ayk s ALA 84 N -2.18 -1.50 0.14 -1.38 0.00 -1.26 -1.82 121.76 113.76 3ayk s ALA 84 Ca 0.17 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 3ayk s ALA 84 Cb -0.05 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 3ayk s ALA 84 CO 0.10 -0.89 0.33 -0.06 0.00 0.00 0.00 175.76 175.25 3ayk s PHE 85 N -3.68 3.49 0.70 0.00 0.40 -0.84 -5.01 117.98 113.03 3ayk s PHE 85 Ca 0.06 0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 56.62 3ayk s PHE 85 Cb -0.03 -1.88 0.01 0.00 0.51 0.00 0.00 43.02 41.63 3ayk s PHE 85 CO -0.04 0.46 1.21 1.04 0.70 0.00 0.00 175.22 178.60 3ayk n GLN 86 N -0.09 0.79 -1.55 0.44 6.02 -1.26 -3.09 117.38 118.65 3ayk n GLN 86 Ca -0.04 0.33 -0.37 0.00 -0.01 0.00 0.00 57.00 56.91 3ayk n GLN 86 Cb 0.52 -2.45 -0.04 0.00 1.02 0.00 0.00 30.24 29.29 3ayk n GLN 86 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3ayk n PRO 87 N -2.19 0.99 -3.84 -1.09 -0.04 -1.26 -2.17 135.00 125.41 3ayk n PRO 87 Ca 0.15 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 3ayk n PRO 87 Cb 0.49 -3.25 -0.04 0.00 -0.04 0.00 0.00 33.50 30.66 3ayk n PRO 87 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ayk s GLY 88 N 11.71 0.06 1.16 0.55 0.00 -1.26 -4.81 107.32 114.74 3ayk s GLY 88 Ca 1.02 -0.40 -0.14 0.00 0.00 0.00 0.00 44.72 45.20 3ayk s GLY 88 CO 0.29 -0.29 1.04 2.56 0.00 0.00 0.00 173.10 176.69 3ayk s PRO 89 N -3.92 -0.86 7.45 2.90 0.04 -1.26 -2.87 135.00 136.47 3ayk s PRO 89 Ca 0.13 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.79 3ayk s PRO 89 Cb -0.02 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.94 3ayk s PRO 89 CO 0.03 -3.63 0.00 0.41 0.04 0.00 0.00 177.00 173.85 3ayk n GLY 90 N 0.28 2.63 0.00 0.56 0.00 -1.26 -2.05 105.19 105.36 3ayk n GLY 90 Ca 0.04 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3ayk n GLY 90 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ayk n ILE 91 N 0.00 0.22 -1.83 -0.61 3.06 -1.26 -4.82 119.36 114.11 3ayk n ILE 91 Ca 0.00 0.05 -0.41 0.00 -2.50 0.00 0.00 62.75 59.89 3ayk n ILE 91 Cb 0.00 -0.61 -0.01 0.00 0.54 0.00 0.00 39.64 39.56 3ayk n ILE 91 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3ayk s GLY 92 N -2.93 2.58 0.00 4.50 0.00 -0.87 -1.56 107.32 109.03 3ayk s GLY 92 Ca 0.14 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.40 3ayk s GLY 92 CO 0.46 2.35 0.00 0.61 0.00 0.00 0.00 173.10 176.52 3ayk n GLY 93 N 1.27 3.07 3.74 0.20 0.00 -0.92 -4.05 105.19 108.50 3ayk n GLY 93 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3ayk n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ayk s ASP 94 N -1.18 4.59 -0.05 1.61 1.11 -0.60 -3.87 116.67 118.28 3ayk s ASP 94 Ca 0.00 2.26 -0.00 0.00 0.18 0.00 0.00 52.55 54.99 3ayk s ASP 94 Cb 0.00 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.44 3ayk s ASP 94 CO 0.00 -1.99 0.00 0.00 1.18 0.00 0.00 175.17 174.36 3ayk s ALA 95 N -2.02 0.50 -0.06 5.23 0.00 -0.06 -1.99 121.76 123.36 3ayk s ALA 95 Ca 0.73 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 3ayk s ALA 95 Cb -0.27 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3ayk s ALA 95 CO 0.42 -0.26 0.03 -1.01 0.00 0.00 0.00 175.76 174.93 3ayk s HIS 96 N 1.51 3.20 -0.07 0.00 3.76 -0.76 -2.52 115.29 120.41 3ayk s HIS 96 Ca -0.03 0.20 0.05 0.00 -0.15 0.00 0.00 55.06 55.13 3ayk s HIS 96 Cb -0.13 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 3ayk s HIS 96 CO -0.03 0.50 -0.24 -0.06 -0.85 0.00 0.00 174.74 174.06 3ayk s PHE 97 N -0.99 2.50 -0.05 1.40 0.40 -1.04 -2.65 117.98 117.56 3ayk s PHE 97 Ca 0.16 -0.81 -0.30 0.00 -0.60 0.00 0.00 56.93 55.39 3ayk s PHE 97 Cb -0.12 -1.64 -0.06 0.00 0.51 0.00 0.00 43.02 41.71 3ayk s PHE 97 CO 0.06 -0.27 1.70 0.34 0.70 0.00 0.00 175.22 177.75 3ayk s ASP 98 N -0.00 6.62 0.00 1.36 -1.08 -0.90 -2.75 116.67 119.92 3ayk s ASP 98 Ca -0.08 2.27 0.23 0.00 -0.52 0.00 0.00 52.55 54.45 3ayk s ASP 98 Cb -0.15 -2.53 0.23 0.00 -1.46 0.00 0.00 42.92 39.00 3ayk s ASP 98 CO 0.05 -0.96 1.27 1.21 0.52 0.00 0.00 175.17 177.26 3ayk n GLU 99 N 7.21 2.31 0.25 4.34 2.13 -1.02 -4.16 120.64 131.69 3ayk n GLU 99 Ca 0.18 -1.97 0.15 0.00 0.66 0.00 0.00 57.16 56.18 3ayk n GLU 99 Cb 0.43 -1.46 0.50 0.00 0.27 0.00 0.00 31.44 31.18 3ayk n GLU 99 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3ayk h ASP 100 N 4.59 0.00 -2.21 4.31 3.32 -1.89 -3.44 116.42 121.10 3ayk h ASP 100 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3ayk h ASP 100 Cb 0.98 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3ayk h ASP 100 CO 0.00 0.00 -0.46 -1.61 -1.72 0.00 0.00 179.24 175.45 3ayk s GLU 101 N -3.49 3.30 -0.08 3.56 2.02 -1.26 -4.96 118.70 117.79 3ayk s GLU 101 Ca 0.03 -0.83 -0.24 0.00 0.02 0.00 0.00 54.97 53.96 3ayk s GLU 101 Cb 0.08 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 3ayk s GLU 101 CO 0.58 0.43 0.72 0.50 0.02 0.00 0.00 175.26 177.51 3ayk s ARG 102 N -3.91 4.41 -0.03 1.61 3.52 -1.26 -5.05 118.95 118.24 3ayk s ARG 102 Ca 0.34 0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 56.72 3ayk s ARG 102 Cb -0.09 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.78 3ayk s ARG 102 CO 0.28 -0.01 0.30 -1.58 -0.81 0.00 0.00 175.30 173.48 3ayk s TRP 103 N 1.04 3.66 0.38 5.12 0.52 -1.26 -4.66 118.94 123.74 3ayk s TRP 103 Ca 0.37 0.78 0.06 0.00 0.02 0.00 0.00 56.10 57.33 3ayk s TRP 103 Cb -0.18 -2.13 -0.07 0.00 -1.15 0.00 0.00 33.47 29.94 3ayk s TRP 103 CO 0.17 0.67 0.03 0.95 0.02 0.00 0.00 176.95 178.78 3ayk s THR 104 N -1.11 1.74 -0.25 2.01 -4.23 -1.26 -4.83 115.64 107.71 3ayk s THR 104 Ca 0.22 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.85 3ayk s THR 104 Cb -0.15 -2.93 0.49 0.00 1.34 0.00 0.00 72.50 71.26 3ayk s THR 104 CO 0.11 0.00 1.42 0.59 -0.54 0.00 0.00 174.62 176.20 3ayk n ASN 105 N -0.88 2.81 -2.51 3.99 3.02 -1.26 -3.12 115.26 117.30 3ayk n ASN 105 Ca -0.04 -3.53 -0.09 0.00 -0.03 0.00 0.00 54.58 50.89 3ayk n ASN 105 Cb 0.67 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3ayk n ASN 105 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3ayk n ASN 106 N -0.99 -1.55 -1.41 6.41 2.04 -1.26 -4.99 115.26 113.51 3ayk n ASN 106 Ca 0.28 -2.39 0.00 0.00 -0.44 0.00 0.00 54.58 52.03 3ayk n ASN 106 Cb 0.95 2.67 0.00 0.00 -2.53 0.00 0.00 39.78 40.88 3ayk n ASN 106 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 3ayk n PHE 107 N -0.45 0.00 -0.10 -2.53 3.01 -1.26 -4.65 117.46 111.48 3ayk n PHE 107 Ca -0.04 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3ayk n PHE 107 Cb 0.48 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 3ayk n PHE 107 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3ayk n ARG 108 N 1.39 0.79 0.02 -1.08 1.74 -1.26 -4.90 116.66 113.35 3ayk n ARG 108 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3ayk n ARG 108 Cb 0.05 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.41 3ayk n ARG 108 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3ayk h GLU 109 N 0.00 -0.54 -5.86 5.56 5.08 -1.96 -3.43 114.58 113.43 3ayk h GLU 109 Ca 0.00 0.04 -0.58 0.00 -1.00 0.00 0.00 59.36 57.82 3ayk h GLU 109 Cb 0.00 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 3ayk h GLU 109 CO 0.00 -0.36 -0.52 0.71 -1.00 0.00 0.00 179.01 177.83 3ayk s TYR 110 N -5.82 2.59 -0.10 4.33 2.02 -1.26 -5.06 117.35 114.04 3ayk s TYR 110 Ca -0.16 -0.59 -0.03 0.00 -0.37 0.00 0.00 57.07 55.92 3ayk s TYR 110 Cb 0.08 -1.90 0.05 0.00 -0.40 0.00 0.00 41.96 39.79 3ayk s TYR 110 CO 0.63 0.25 0.11 -0.80 -1.57 0.00 0.00 175.55 174.17 3ayk s ASN 111 N -3.86 1.43 0.01 2.29 0.01 -1.26 -4.08 114.94 109.47 3ayk s ASN 111 Ca 0.40 -0.10 -0.25 0.00 -0.71 0.00 0.00 52.86 52.20 3ayk s ASN 111 Cb 0.05 -0.02 -0.19 0.00 0.41 0.00 0.00 41.25 41.50 3ayk s ASN 111 CO 0.22 -0.29 1.38 0.25 -1.51 0.00 0.00 177.10 177.15 3ayk h LEU 112 N 8.40 -0.02 -0.77 0.60 5.85 -1.90 -2.87 115.31 124.61 3ayk h LEU 112 Ca -0.14 -0.36 0.14 0.00 0.84 0.00 0.00 57.88 58.36 3ayk h LEU 112 Cb 1.13 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.07 3ayk h LEU 112 CO 0.20 0.35 0.34 -0.74 -0.34 0.00 0.00 178.44 178.25 3ayk h HIS 113 N -0.38 0.59 -0.26 1.25 2.76 -1.89 0.23 115.15 117.45 3ayk h HIS 113 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3ayk h HIS 113 Cb 0.37 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3ayk h HIS 113 CO 0.05 0.12 0.17 -0.09 -1.30 0.00 0.00 177.93 176.88 3ayk h ARG 114 N 0.51 0.34 -0.41 5.26 2.43 -1.94 0.62 114.38 121.19 3ayk h ARG 114 Ca 0.42 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.46 3ayk h ARG 114 Cb 0.59 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3ayk h ARG 114 CO -0.37 0.23 -0.18 0.28 -1.51 0.00 0.00 179.97 178.42 3ayk h VAL 115 N 0.35 1.27 -0.87 0.20 2.07 -1.05 -2.27 116.25 115.95 3ayk h VAL 115 Ca 0.09 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.36 3ayk h VAL 115 Cb -0.04 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3ayk h VAL 115 CO -0.02 0.43 0.58 0.00 0.02 0.00 0.00 177.57 178.57 3ayk h ALA 116 N 1.12 1.10 -0.70 1.67 0.00 -0.03 0.35 119.26 122.77 3ayk h ALA 116 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ayk h ALA 116 Cb 0.67 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ayk h ALA 116 CO 0.05 0.50 0.23 0.00 0.00 0.00 0.00 179.25 180.03 3ayk h ALA 117 N 1.32 1.09 -0.06 0.00 0.00 -0.43 -1.89 119.26 119.29 3ayk h ALA 117 Ca 0.32 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ayk h ALA 117 Cb -0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 3ayk h ALA 117 CO -0.07 0.62 -0.07 1.25 0.00 0.00 0.00 179.25 180.99 3ayk h HIS 118 N 1.02 0.19 -1.00 0.00 6.17 -0.79 -2.52 115.15 118.22 3ayk h HIS 118 Ca 0.23 -0.06 0.06 0.00 0.71 0.00 0.00 60.37 61.31 3ayk h HIS 118 Cb 0.27 -0.04 -0.07 0.00 2.52 0.00 0.00 27.41 30.09 3ayk h HIS 118 CO 0.02 0.62 0.65 0.93 0.71 0.00 0.00 177.93 180.85 3ayk h GLU 119 N -0.29 1.14 -0.75 5.26 5.08 -0.85 -0.43 114.58 123.74 3ayk h GLU 119 Ca 0.01 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3ayk h GLU 119 Cb 0.59 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3ayk h GLU 119 CO 0.02 0.76 0.33 -0.07 -1.00 0.00 0.00 179.01 179.04 3ayk h LEU 120 N 1.18 0.99 -1.01 1.33 3.38 -1.30 -2.03 115.31 117.85 3ayk h LEU 120 Ca 0.43 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.33 3ayk h LEU 120 Cb 0.16 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3ayk h LEU 120 CO -0.17 0.86 0.66 1.23 0.09 0.00 0.00 178.44 181.10 3ayk h GLY 121 N 1.12 1.51 1.13 0.83 0.00 -0.63 -0.41 103.07 106.61 3ayk h GLY 121 Ca 0.26 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3ayk h GLY 121 CO -0.03 0.38 0.12 0.45 0.00 0.00 0.00 176.54 177.47 3ayk h HIS 122 N 1.22 1.13 0.00 5.60 3.86 -1.00 -0.61 115.15 125.36 3ayk h HIS 122 Ca 0.42 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 3ayk h HIS 122 Cb 0.09 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.25 3ayk h HIS 122 CO -0.00 0.94 -0.07 0.66 0.86 0.00 0.00 177.93 180.32 3ayk h SER 123 N 1.01 0.00 0.34 2.45 4.64 -0.76 -1.68 113.55 119.54 3ayk h SER 123 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ayk h SER 123 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3ayk h SER 123 CO 0.01 0.07 -0.12 0.18 -0.87 0.00 0.00 176.83 176.09 3ayk n LEU 124 N -3.20 0.54 0.00 5.97 4.77 -0.29 -4.74 117.00 120.05 3ayk n LEU 124 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3ayk n LEU 124 Cb 0.33 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3ayk n LEU 124 CO 0.29 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3ayk n GLY 125 N 1.28 0.69 3.71 -0.72 0.00 -0.63 -4.93 105.19 104.59 3ayk n GLY 125 Ca 0.14 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3ayk n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ayk s LEU 126 N 0.00 4.33 0.66 0.99 1.43 -0.32 -5.01 118.68 120.77 3ayk s LEU 126 Ca 0.00 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 54.39 3ayk s LEU 126 Cb 0.00 -3.23 0.05 0.00 0.03 0.00 0.00 46.19 43.04 3ayk s LEU 126 CO 0.00 -0.16 0.94 -0.44 0.23 0.00 0.00 176.35 176.93 3ayk s SER 127 N 0.85 4.93 0.73 2.29 0.01 -1.26 -4.29 113.70 116.96 3ayk s SER 127 Ca 0.42 0.30 -0.13 0.00 1.31 0.00 0.00 55.95 57.85 3ayk s SER 127 Cb -0.19 -1.01 0.04 0.00 0.21 0.00 0.00 66.02 65.07 3ayk s SER 127 CO 0.21 -1.48 1.12 -1.00 0.41 0.00 0.00 173.24 172.51 3ayk s HIS 128 N -3.10 2.40 0.26 2.43 0.09 -1.26 -4.98 115.29 111.13 3ayk s HIS 128 Ca 0.59 1.59 0.06 0.00 -0.00 0.00 0.00 55.06 57.30 3ayk s HIS 128 Cb -0.10 -3.20 -0.06 0.00 -0.00 0.00 0.00 32.58 29.22 3ayk s HIS 128 CO 0.43 -2.00 -0.05 0.45 -0.00 0.00 0.00 174.74 173.57 3ayk s SER 129 N -2.73 2.53 -0.03 1.40 0.15 -1.19 -5.04 113.70 108.79 3ayk s SER 129 Ca 0.66 -1.19 0.18 0.00 0.70 0.00 0.00 55.95 56.31 3ayk s SER 129 Cb -0.21 -0.12 0.55 0.00 -1.71 0.00 0.00 66.02 64.53 3ayk s SER 129 CO 0.48 -0.38 1.47 0.35 1.20 0.00 0.00 173.24 176.36 3ayk n THR 130 N -0.53 1.20 -2.91 6.45 -2.24 -1.26 -4.55 114.28 110.43 3ayk n THR 130 Ca -0.05 -1.07 -0.41 0.00 -2.27 0.00 0.00 64.05 60.25 3ayk n THR 130 Cb 0.63 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 3ayk n THR 130 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ayk s ASP 131 N -1.02 7.15 0.27 3.42 -1.08 -1.26 -4.94 116.67 119.20 3ayk s ASP 131 Ca 0.41 1.38 -0.04 0.00 -0.52 0.00 0.00 52.55 53.78 3ayk s ASP 131 Cb 0.23 -2.48 0.33 0.00 -1.46 0.00 0.00 42.92 39.54 3ayk s ASP 131 CO 0.26 -0.17 1.94 0.40 0.52 0.00 0.00 175.17 178.12 3ayk h ILE 132 N 4.76 1.24 0.00 4.11 2.04 -2.01 -0.94 117.51 126.71 3ayk h ILE 132 Ca -0.41 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3ayk h ILE 132 Cb 1.21 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3ayk h ILE 132 CO 0.75 0.23 0.00 0.61 0.00 0.00 0.00 178.15 179.74 3ayk n GLY 133 N -1.39 -0.89 3.73 5.37 0.00 -1.26 -4.77 105.19 105.98 3ayk n GLY 133 Ca 0.11 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 3ayk n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ayk s ALA 134 N -2.01 3.30 0.20 4.61 0.00 -0.36 -4.52 121.76 122.98 3ayk s ALA 134 Ca 0.42 0.36 0.25 0.00 0.00 0.00 0.00 51.96 52.99 3ayk s ALA 134 Cb 0.20 -3.11 1.04 0.00 0.00 0.00 0.00 23.12 21.25 3ayk s ALA 134 CO 0.33 -0.04 1.88 -0.07 0.00 0.00 0.00 175.76 177.86 3ayk h LEU 135 N 6.09 0.00 -4.07 0.00 3.38 -1.86 -3.17 115.31 115.67 3ayk h LEU 135 Ca -0.43 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 3ayk h LEU 135 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3ayk h LEU 135 CO 0.73 0.21 -0.08 0.23 0.09 0.00 0.00 178.44 179.62 3ayk n MET 136 N -3.45 1.18 -2.14 1.13 2.81 -1.26 -4.88 117.12 110.51 3ayk n MET 136 Ca -0.00 -0.51 -0.41 0.00 -1.81 0.00 0.00 57.70 54.97 3ayk n MET 136 Cb 0.39 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 3ayk n MET 136 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3ayk s TYR 137 N 1.40 3.14 0.17 2.03 6.14 -1.20 -3.20 117.35 125.84 3ayk s TYR 137 Ca 0.34 1.21 -0.15 0.00 0.64 0.00 0.00 57.07 59.11 3ayk s TYR 137 Cb 0.16 -3.68 0.13 0.00 0.42 0.00 0.00 41.96 38.99 3ayk s TYR 137 CO 0.00 -2.09 1.70 -1.35 0.64 0.00 0.00 175.55 174.45 3ayk h PRO 138 N 4.78 0.13 -6.27 4.97 0.10 -1.90 -3.44 132.00 130.37 3ayk h PRO 138 Ca -0.46 -0.01 -0.52 0.00 0.10 0.00 0.00 66.00 65.11 3ayk h PRO 138 Cb 1.22 -0.03 -0.01 0.00 0.10 0.00 0.00 31.00 32.28 3ayk h PRO 138 CO 0.74 0.08 -0.24 -1.54 0.10 0.00 0.00 178.00 177.15 3ayk s SER 139 N -5.27 4.96 -0.33 -2.05 1.04 -1.26 -5.07 113.70 105.73 3ayk s SER 139 Ca -0.13 -0.94 -0.24 0.00 0.48 0.00 0.00 55.95 55.11 3ayk s SER 139 Cb 0.14 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.37 3ayk s SER 139 CO 0.71 -1.07 0.84 -0.47 0.98 0.00 0.00 173.24 174.23 3ayk s TYR 140 N -2.64 3.16 0.05 5.02 5.04 -1.26 -5.02 117.35 121.70 3ayk s TYR 140 Ca 0.48 0.81 0.04 0.00 -2.44 0.00 0.00 57.07 55.96 3ayk s TYR 140 Cb -0.04 -3.37 -0.02 0.00 0.35 0.00 0.00 41.96 38.87 3ayk s TYR 140 CO 0.30 -0.66 -0.12 0.95 -1.34 0.00 0.00 175.55 174.68 3ayk s THR 141 N 3.14 0.95 -0.18 4.34 -4.23 -1.26 -5.12 115.64 113.28 3ayk s THR 141 Ca 0.35 -1.10 -0.21 0.00 -1.18 0.00 0.00 61.69 59.54 3ayk s THR 141 Cb -0.13 -0.91 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 3ayk s THR 141 CO 0.14 -0.17 0.64 0.72 -0.54 0.00 0.00 174.62 175.42 3ayk s PHE 142 N -1.10 3.40 0.00 3.99 -0.71 -1.26 -5.02 117.98 117.28 3ayk s PHE 142 Ca -0.02 0.97 0.00 0.00 -1.04 0.00 0.00 56.93 56.84 3ayk s PHE 142 Cb -0.09 -2.81 0.00 0.00 -1.21 0.00 0.00 43.02 38.91 3ayk s PHE 142 CO 0.01 -0.15 0.00 -1.13 -1.34 0.00 0.00 175.22 172.62 3ayk n SER 143 N 4.92 0.00 0.00 1.98 3.41 -1.26 -5.15 113.62 117.52 3ayk n SER 143 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3ayk n SER 143 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3ayk n SER 143 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ayk n GLY 144 N 5.00 1.58 3.86 5.00 0.00 -1.26 -5.10 105.19 114.27 3ayk n GLY 144 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3ayk n GLY 144 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ayk s ASP 145 N 1.00 6.60 -0.55 1.61 1.01 -1.26 -5.01 116.67 120.06 3ayk s ASP 145 Ca 0.00 1.23 -0.22 0.00 0.71 0.00 0.00 52.55 54.27 3ayk s ASP 145 Cb 0.00 -2.36 0.05 0.00 1.01 0.00 0.00 42.92 41.62 3ayk s ASP 145 CO 0.00 -0.38 0.84 -0.69 0.21 0.00 0.00 175.17 175.15 3ayk s VAL 146 N -2.31 4.55 0.04 -1.27 1.01 -1.26 -5.00 120.40 116.16 3ayk s VAL 146 Ca 0.53 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 3ayk s VAL 146 Cb -0.10 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 3ayk s VAL 146 CO 0.28 -1.06 0.13 -1.10 0.00 0.00 0.00 175.10 173.35 3ayk s GLN 147 N 3.51 0.62 0.37 2.72 -0.21 -1.26 -5.14 119.66 120.27 3ayk s GLN 147 Ca 0.24 -0.72 -0.26 0.00 0.02 0.00 0.00 55.36 54.65 3ayk s GLN 147 Cb -0.15 0.25 -0.09 0.00 1.00 0.00 0.00 33.01 34.01 3ayk s GLN 147 CO 0.16 -0.16 1.06 -0.51 -2.12 0.00 0.00 175.29 173.71 3ayk s LEU 148 N -2.12 4.26 0.40 2.90 1.43 -1.26 -4.82 118.68 119.47 3ayk s LEU 148 Ca -0.05 2.10 -0.02 0.00 -1.03 0.00 0.00 54.13 55.13 3ayk s LEU 148 Cb -0.01 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 3ayk s LEU 148 CO -0.04 -0.39 0.64 0.00 0.23 0.00 0.00 176.35 176.79 3ayk s ALA 149 N -1.52 3.58 0.25 4.21 0.00 -1.26 -4.91 121.76 122.11 3ayk s ALA 149 Ca 0.54 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 3ayk s ALA 149 Cb -0.25 -2.29 0.26 0.00 0.00 0.00 0.00 23.12 20.84 3ayk s ALA 149 CO 0.31 -0.16 1.93 0.37 0.00 0.00 0.00 175.76 178.21 3ayk h GLN 150 N 0.54 1.32 -1.01 0.00 4.15 -1.96 0.28 115.11 118.44 3ayk h GLN 150 Ca -0.49 -0.08 0.06 0.00 0.77 0.00 0.00 58.65 58.91 3ayk h GLN 150 Cb 1.21 -0.30 -0.07 0.00 0.21 0.00 0.00 27.48 28.54 3ayk h GLN 150 CO 0.61 0.88 0.65 0.22 -1.93 0.00 0.00 178.83 179.26 3ayk h ASP 151 N 1.36 1.05 -0.11 -0.69 1.82 -1.97 0.32 116.42 118.20 3ayk h ASP 151 Ca 0.37 0.01 -0.23 0.00 -0.39 0.00 0.00 57.03 56.78 3ayk h ASP 151 Cb -0.16 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 39.65 3ayk h ASP 151 CO -0.08 0.68 -0.85 0.44 -1.61 0.00 0.00 179.24 177.82 3ayk h ASP 152 N 1.20 0.93 0.00 2.28 3.32 -1.62 -1.59 116.42 120.93 3ayk h ASP 152 Ca 0.43 -0.66 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 3ayk h ASP 152 Cb 0.14 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3ayk h ASP 152 CO -0.17 1.45 -0.00 0.40 -1.72 0.00 0.00 179.24 179.21 3ayk h ILE 153 N 0.49 1.23 -0.98 0.35 2.04 -0.28 -1.08 117.51 119.28 3ayk h ILE 153 Ca -0.07 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.13 3ayk h ILE 153 Cb 1.48 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 39.19 3ayk h ILE 153 CO 0.17 0.17 0.64 0.44 0.00 0.00 0.00 178.15 179.57 3ayk h ASP 154 N -0.28 1.13 0.67 1.72 5.19 -0.46 0.06 116.42 124.45 3ayk h ASP 154 Ca -0.00 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 3ayk h ASP 154 Cb 0.28 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 39.52 3ayk h ASP 154 CO 0.00 0.83 -0.32 1.23 -3.12 0.00 0.00 179.24 177.85 3ayk h GLY 155 N 1.33 -0.94 1.03 2.75 0.00 -1.08 0.18 103.07 106.34 3ayk h GLY 155 Ca 0.36 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 48.03 3ayk h GLY 155 CO -0.08 -0.34 0.54 1.19 0.00 0.00 0.00 176.54 177.85 3ayk h ILE 156 N -1.10 1.26 -0.66 2.60 6.09 -1.13 -1.99 117.51 122.58 3ayk h ILE 156 Ca -0.09 -0.60 -0.09 0.00 -1.37 0.00 0.00 64.86 62.71 3ayk h ILE 156 Cb 0.73 -0.03 -0.03 0.00 0.47 0.00 0.00 36.82 37.96 3ayk h ILE 156 CO 0.15 0.28 0.08 1.56 -3.07 0.00 0.00 178.15 177.15 3ayk h GLN 157 N 1.29 1.12 -0.76 2.19 4.20 -0.94 -2.40 115.11 119.82 3ayk h GLN 157 Ca 0.33 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3ayk h GLN 157 Cb -0.02 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 3ayk h GLN 157 CO -0.06 1.04 0.50 0.00 -0.67 0.00 0.00 178.83 179.64 3ayk h ALA 158 N 1.04 0.96 0.09 3.87 0.00 -0.02 1.69 119.26 126.88 3ayk h ALA 158 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ayk h ALA 158 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ayk h ALA 158 CO 0.02 0.38 -0.04 0.82 0.00 0.00 0.00 179.25 180.42 3ayk h ILE 159 N 1.03 0.93 0.00 0.00 2.04 -1.06 -3.39 117.51 117.05 3ayk h ILE 159 Ca 0.28 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.08 3ayk h ILE 159 Cb -0.12 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3ayk h ILE 159 CO -0.06 0.02 -0.19 -1.22 0.00 0.00 0.00 178.15 176.70 3ayk n TYR 160 N -5.13 0.01 -3.68 1.37 4.01 -0.93 -5.13 117.16 107.68 3ayk n TYR 160 Ca -0.08 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3ayk n TYR 160 Cb 0.09 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 3ayk n TYR 160 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ayk n GLY 161 N 1.51 -1.46 3.88 2.72 0.00 0.57 -5.04 105.19 107.37 3ayk n GLY 161 Ca -0.03 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3ayk n GLY 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ayk s ARG 162 N -1.83 3.76 0.00 1.61 0.52 -1.26 -4.39 118.95 117.36 3ayk s ARG 162 Ca 0.00 0.18 0.22 0.00 -0.52 0.00 0.00 55.73 55.61 3ayk s ARG 162 Cb 0.00 -2.76 1.32 0.00 0.52 0.00 0.00 34.95 34.03 3ayk s ARG 162 CO 0.00 0.39 1.70 0.43 0.02 0.00 0.00 175.30 177.84