#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4ayk h LEU 2 N 0.00 1.13 -9.65 1.34 3.38 -2.02 -3.41 115.31 106.09 4ayk h LEU 2 Ca 0.00 -0.04 -0.64 0.00 0.09 0.00 0.00 57.88 57.29 4ayk h LEU 2 Cb 0.00 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 4ayk h LEU 2 CO 0.00 0.84 -0.33 0.42 0.09 0.00 0.00 178.44 179.45 4ayk s THR 3 N -6.06 5.26 0.13 0.22 -4.23 -1.26 -5.06 115.64 104.64 4ayk s THR 3 Ca -0.13 0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 60.62 4ayk s THR 3 Cb 0.18 -3.56 -0.07 0.00 1.34 0.00 0.00 72.50 70.39 4ayk s THR 3 CO 0.82 0.59 1.06 -0.70 -0.54 0.00 0.00 174.62 175.85 4ayk s GLU 4 N -1.01 4.61 0.00 3.99 2.12 -1.26 -4.39 118.70 122.76 4ayk s GLU 4 Ca 0.19 1.62 0.00 0.00 0.36 0.00 0.00 54.97 57.14 4ayk s GLU 4 Cb -0.14 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.92 4ayk s GLU 4 CO 0.09 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 4ayk n GLY 5 N 2.29 1.63 2.75 -1.50 0.00 -1.26 -4.85 105.19 104.25 4ayk n GLY 5 Ca 0.03 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 4ayk n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 4ayk s ASN 6 N -4.00 -0.36 0.97 1.61 0.01 -1.26 -5.04 114.94 106.87 4ayk s ASN 6 Ca 0.00 -1.85 -0.13 0.00 -0.71 0.00 0.00 52.86 50.17 4ayk s ASN 6 Cb 0.00 1.16 0.04 0.00 0.41 0.00 0.00 41.25 42.86 4ayk s ASN 6 CO 0.00 -0.13 0.34 -2.65 -1.51 0.00 0.00 177.10 173.15 4ayk n PRO 7 N 3.40 -0.46 -2.43 -0.60 -0.02 -1.26 -4.88 135.00 128.75 4ayk n PRO 7 Ca 0.18 -0.10 -0.25 0.00 -2.02 0.00 0.00 63.50 61.31 4ayk n PRO 7 Cb 0.52 -1.83 0.14 0.00 -0.02 0.00 0.00 33.50 32.32 4ayk n PRO 7 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 4ayk s ARG 8 N -3.59 1.25 -0.23 -0.52 0.52 -1.26 -4.86 118.95 110.26 4ayk s ARG 8 Ca 0.56 -1.02 -0.26 0.00 -0.52 0.00 0.00 55.73 54.49 4ayk s ARG 8 Cb -0.20 -2.19 -0.00 0.00 0.52 0.00 0.00 34.95 33.08 4ayk s ARG 8 CO 0.68 -1.81 0.88 -1.58 0.02 0.00 0.00 175.30 173.48 4ayk s TRP 9 N -3.38 3.34 -0.99 -0.53 0.52 -1.26 -4.90 118.94 111.73 4ayk s TRP 9 Ca 0.70 1.23 0.28 0.00 0.02 0.00 0.00 56.10 58.33 4ayk s TRP 9 Cb -0.04 -3.09 1.01 0.00 -1.15 0.00 0.00 33.47 30.20 4ayk s TRP 9 CO 0.47 -0.39 1.77 0.39 0.02 0.00 0.00 176.95 179.22 4ayk n GLU 10 N 5.94 0.01 -2.81 4.98 1.02 -1.26 -4.84 120.64 123.68 4ayk n GLU 10 Ca 0.07 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.88 4ayk n GLU 10 Cb 0.47 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 4ayk n GLU 10 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 4ayk s GLN 11 N -3.00 4.22 0.00 3.49 -0.21 -1.26 -4.96 119.66 117.94 4ayk s GLN 11 Ca 0.13 1.12 0.24 0.00 0.02 0.00 0.00 55.36 56.87 4ayk s GLN 11 Cb 0.18 -2.18 0.22 0.00 1.00 0.00 0.00 33.01 32.24 4ayk s GLN 11 CO 0.58 -0.04 1.23 0.25 -2.12 0.00 0.00 175.29 175.19 4ayk n THR 12 N -0.67 0.00 -4.59 -0.19 -2.24 -1.26 -4.88 114.28 100.45 4ayk n THR 12 Ca 0.07 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.42 4ayk n THR 12 Cb 0.54 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.61 4ayk n THR 12 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 4ayk s HIS 13 N -2.49 1.16 0.11 4.78 3.76 -1.26 -2.29 115.29 119.06 4ayk s HIS 13 Ca 0.20 -0.22 0.03 0.00 -0.15 0.00 0.00 55.06 54.92 4ayk s HIS 13 Cb 0.18 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 33.09 4ayk s HIS 13 CO 0.56 -0.02 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.83 4ayk s LEU 14 N -0.30 2.46 0.15 0.89 1.43 -0.37 -4.96 118.68 117.97 4ayk s LEU 14 Ca 0.05 -0.91 0.07 0.00 -1.03 0.00 0.00 54.13 52.32 4ayk s LEU 14 Cb -0.05 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 4ayk s LEU 14 CO -0.00 -0.34 -0.16 0.42 0.23 0.00 0.00 176.35 176.49 4ayk s THR 15 N -2.97 1.60 0.06 5.49 -4.23 -1.26 -2.29 115.64 112.05 4ayk s THR 15 Ca 0.09 -1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 58.69 4ayk s THR 15 Cb 0.01 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 4ayk s THR 15 CO -0.01 -0.37 0.13 -0.72 -0.54 0.00 0.00 174.62 173.10 4ayk s TYR 16 N -2.14 0.21 -0.12 3.99 -0.85 -1.07 -2.17 117.35 115.20 4ayk s TYR 16 Ca 0.13 -0.60 -0.06 0.00 -0.52 0.00 0.00 57.07 56.03 4ayk s TYR 16 Cb -0.05 -0.13 0.05 0.00 0.38 0.00 0.00 41.96 42.21 4ayk s TYR 16 CO 0.05 -0.45 0.27 0.50 -1.52 0.00 0.00 175.55 174.40 4ayk s ARG 17 N -3.36 0.23 -0.17 -3.49 3.52 -1.09 -2.39 118.95 112.20 4ayk s ARG 17 Ca 0.01 0.59 -0.24 0.00 -0.13 0.00 0.00 55.73 55.96 4ayk s ARG 17 Cb 0.03 -0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.31 4ayk s ARG 17 CO -0.08 -0.18 0.79 0.42 -0.81 0.00 0.00 175.30 175.44 4ayk s ILE 18 N 1.42 4.91 0.21 4.11 1.01 -1.26 -2.49 121.20 129.11 4ayk s ILE 18 Ca -0.08 1.54 -0.08 0.00 0.00 0.00 0.00 60.65 62.02 4ayk s ILE 18 Cb -0.10 -4.10 0.16 0.00 0.01 0.00 0.00 42.46 38.43 4ayk s ILE 18 CO -0.09 0.05 1.81 -0.08 0.00 0.00 0.00 174.94 176.62 4ayk h GLU 19 N 7.35 1.15 -2.05 2.79 4.81 -1.42 -3.46 114.58 123.74 4ayk h GLU 19 Ca -0.30 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 4ayk h GLU 19 Cb 1.13 -0.21 -0.19 0.00 0.63 0.00 0.00 28.75 30.12 4ayk h GLU 19 CO 0.82 0.88 0.28 0.54 -0.73 0.00 0.00 179.01 180.81 4ayk s ASN 20 N -6.22 -0.57 -0.12 1.04 4.22 -1.26 -5.10 114.94 106.93 4ayk s ASN 20 Ca -0.13 0.52 -0.11 0.00 -2.14 0.00 0.00 52.86 51.01 4ayk s ASN 20 Cb 0.16 0.49 -0.05 0.00 1.28 0.00 0.00 41.25 43.13 4ayk s ASN 20 CO 0.82 -0.60 0.24 -0.31 -2.04 0.00 0.00 177.10 175.21 4ayk s TYR 21 N -1.61 3.56 0.39 1.54 2.02 -1.26 -4.67 117.35 117.32 4ayk s TYR 21 Ca -0.07 0.62 -0.25 0.00 -0.37 0.00 0.00 57.07 57.00 4ayk s TYR 21 Cb -0.00 -2.15 -0.09 0.00 -0.40 0.00 0.00 41.96 39.32 4ayk s TYR 21 CO 0.04 0.52 1.10 -0.08 -1.57 0.00 0.00 175.55 175.56 4ayk s THR 22 N -0.44 3.49 -0.23 -0.71 -1.32 -1.26 -4.89 115.64 110.27 4ayk s THR 22 Ca 0.16 1.20 0.23 0.00 -1.21 0.00 0.00 61.69 62.08 4ayk s THR 22 Cb -0.13 -3.65 0.24 0.00 -1.51 0.00 0.00 72.50 67.45 4ayk s THR 22 CO 0.05 0.06 1.71 1.55 -2.21 0.00 0.00 174.62 175.79 4ayk h PRO 23 N 2.63 0.00 -0.91 7.08 0.13 -1.99 -2.65 132.00 136.29 4ayk h PRO 23 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 4ayk h PRO 23 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 4ayk h PRO 23 CO 0.63 0.00 0.51 -0.44 -0.23 0.00 0.00 178.00 178.46 4ayk h ASP 24 N 0.00 1.13 -4.71 1.44 3.32 -1.98 -3.44 116.42 112.19 4ayk h ASP 24 Ca 0.00 -0.10 -0.29 0.00 0.02 0.00 0.00 57.03 56.66 4ayk h ASP 24 Cb 0.11 -0.29 -0.21 0.00 0.22 0.00 0.00 39.33 39.16 4ayk h ASP 24 CO 0.00 0.90 -0.74 -0.76 -1.72 0.00 0.00 179.24 176.92 4ayk s LEU 25 N -9.93 2.27 1.29 1.55 1.43 -1.00 -5.05 118.68 109.23 4ayk s LEU 25 Ca -0.13 -0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 52.18 4ayk s LEU 25 Cb 0.17 -0.22 0.32 0.00 0.03 0.00 0.00 46.19 46.49 4ayk s LEU 25 CO 0.83 -0.19 1.08 -2.16 0.23 0.00 0.00 176.35 176.14 4ayk s PRO 26 N -1.68 -1.89 -0.02 1.29 0.04 -1.26 -4.45 135.00 127.03 4ayk s PRO 26 Ca -0.08 -0.17 -0.03 0.00 0.04 0.00 0.00 61.00 60.76 4ayk s PRO 26 Cb -0.10 -1.53 -0.27 0.00 0.04 0.00 0.00 34.50 32.64 4ayk s PRO 26 CO 0.01 -4.13 0.77 0.07 0.04 0.00 0.00 177.00 173.75 4ayk h ARG 27 N -2.88 0.24 -0.59 4.56 0.11 -1.97 -3.10 114.38 110.76 4ayk h ARG 27 Ca -0.42 -0.42 0.04 0.00 0.10 0.00 0.00 59.98 59.29 4ayk h ARG 27 Cb 1.29 0.16 -0.05 0.00 1.11 0.00 0.00 29.97 32.48 4ayk h ARG 27 CO 0.27 1.09 0.33 0.00 0.10 0.00 0.00 179.97 181.76 4ayk h ALA 28 N 0.45 0.77 -0.36 0.08 0.00 -1.98 0.71 119.26 118.93 4ayk h ALA 28 Ca -0.28 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 4ayk h ALA 28 Cb 2.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 4ayk h ALA 28 CO 0.15 0.01 -0.43 -0.44 0.00 0.00 0.00 179.25 178.54 4ayk h ASP 29 N 0.62 1.00 -0.22 0.00 3.32 -1.96 -2.17 116.42 117.02 4ayk h ASP 29 Ca 0.25 -0.48 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 4ayk h ASP 29 Cb 0.12 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 4ayk h ASP 29 CO -0.15 1.29 -0.22 0.58 -1.72 0.00 0.00 179.24 179.01 4ayk h VAL 30 N 0.74 1.32 -0.96 -1.35 2.07 -1.33 -1.99 116.25 114.76 4ayk h VAL 30 Ca 0.05 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.19 4ayk h VAL 30 Cb 1.03 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 4ayk h VAL 30 CO 0.10 0.43 0.63 0.44 0.02 0.00 0.00 177.57 179.19 4ayk h ASP 31 N 0.22 1.09 -0.20 0.57 3.32 0.43 -1.05 116.42 120.80 4ayk h ASP 31 Ca 0.03 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 4ayk h ASP 31 Cb 0.78 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 4ayk h ASP 31 CO 0.06 0.79 0.12 -0.74 -1.72 0.00 0.00 179.24 177.75 4ayk h HIS 32 N 1.29 0.27 -0.37 4.55 2.76 -1.27 0.56 115.15 122.93 4ayk h HIS 32 Ca 0.35 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.53 4ayk h HIS 32 Cb -0.14 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 4ayk h HIS 32 CO -0.00 0.21 0.23 0.00 -1.30 0.00 0.00 177.93 177.07 4ayk h ALA 33 N 1.03 0.46 -0.26 5.26 0.00 -0.78 0.90 119.26 125.88 4ayk h ALA 33 Ca 0.07 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 4ayk h ALA 33 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.68 4ayk h ALA 33 CO -0.01 -0.09 -0.54 0.82 0.00 0.00 0.00 179.25 179.42 4ayk h ILE 34 N 0.48 1.28 -0.36 0.00 1.08 -0.99 -2.42 117.51 116.59 4ayk h ILE 34 Ca 0.14 -1.74 -0.17 0.00 -0.39 0.00 0.00 64.86 62.70 4ayk h ILE 34 Cb -0.04 1.72 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 4ayk h ILE 34 CO -0.04 0.56 -0.44 -0.08 -0.69 0.00 0.00 178.15 177.46 4ayk h GLU 35 N 0.58 0.93 -0.99 2.37 4.81 0.37 -2.78 114.58 119.86 4ayk h GLU 35 Ca 0.00 -0.52 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 4ayk h GLU 35 Cb 1.15 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 4ayk h GLU 35 CO 0.12 1.17 0.66 -0.22 -0.73 0.00 0.00 179.01 180.01 4ayk h LYS 36 N 0.74 1.31 -0.45 1.92 3.64 0.84 -0.95 116.57 123.62 4ayk h LYS 36 Ca 0.05 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 4ayk h LYS 36 Cb 1.04 -0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 4ayk h LYS 36 CO 0.10 0.87 0.26 0.00 -2.27 0.00 0.00 179.45 178.42 4ayk h ALA 37 N 1.38 0.57 -0.89 5.00 0.00 -1.27 -2.15 119.26 121.89 4ayk h ALA 37 Ca 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 4ayk h ALA 37 Cb -0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 4ayk h ALA 37 CO -0.08 0.07 0.51 0.74 0.00 0.00 0.00 179.25 180.49 4ayk h PHE 38 N 0.59 1.20 -0.92 0.00 0.04 -1.09 -2.29 116.94 114.47 4ayk h PHE 38 Ca 0.16 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.94 4ayk h PHE 38 Cb 0.01 -0.39 -0.05 0.00 2.20 0.00 0.00 35.95 37.71 4ayk h PHE 38 CO -0.03 0.81 0.60 1.96 -0.60 0.00 0.00 178.31 181.05 4ayk h GLN 39 N 1.24 1.14 -0.87 1.51 4.20 -0.58 0.17 115.11 121.92 4ayk h GLN 39 Ca 0.32 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.97 4ayk h GLN 39 Cb -0.01 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 27.47 4ayk h GLN 39 CO -0.06 0.75 0.57 -0.07 -0.67 0.00 0.00 178.83 179.36 4ayk h LEU 40 N 1.17 1.01 -0.22 1.46 3.38 -0.89 0.48 115.31 121.70 4ayk h LEU 40 Ca 0.36 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 58.09 4ayk h LEU 40 Cb -0.02 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.48 4ayk h LEU 40 CO -0.11 0.74 -0.67 -0.50 0.09 0.00 0.00 178.44 177.99 4ayk h TRP 41 N 1.19 1.10 0.00 1.13 4.06 -1.16 -3.11 115.95 119.17 4ayk h TRP 41 Ca 0.32 -0.44 -0.09 0.00 2.06 0.00 0.00 58.89 60.74 4ayk h TRP 41 Cb -0.12 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 27.84 4ayk h TRP 41 CO -0.01 1.28 -0.41 1.03 -3.56 0.00 0.00 178.44 176.77 4ayk h SER 42 N 0.61 0.00 -0.53 -3.49 0.87 -0.15 -2.52 113.55 108.35 4ayk h SER 42 Ca -0.02 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 4ayk h SER 42 Cb 1.29 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 4ayk h SER 42 CO 0.14 0.41 0.35 0.78 -0.53 0.00 0.00 176.83 177.98 4ayk h ASN 43 N 0.00 0.59 -0.25 6.23 2.35 0.02 -2.67 115.58 121.85 4ayk h ASN 43 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 4ayk h ASN 43 Cb 0.80 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.02 4ayk h ASN 43 CO 0.05 0.43 0.00 1.33 -1.65 0.00 0.00 177.43 177.59 4ayk n VAL 44 N -4.46 0.56 -3.96 2.81 0.24 -1.16 -4.98 118.33 107.38 4ayk n VAL 44 Ca 0.05 -0.78 -0.09 0.00 -2.04 0.00 0.00 64.34 61.47 4ayk n VAL 44 Cb 0.06 0.84 -0.11 0.00 -1.47 0.00 0.00 33.84 33.16 4ayk n VAL 44 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 4ayk s THR 45 N -1.06 0.09 -2.00 3.34 -4.23 -0.96 -3.90 115.64 106.92 4ayk s THR 45 Ca 0.23 -0.78 0.07 0.00 -1.18 0.00 0.00 61.69 60.03 4ayk s THR 45 Cb 0.13 -0.23 0.21 0.00 1.34 0.00 0.00 72.50 73.96 4ayk s THR 45 CO 0.19 -0.43 0.98 -0.81 -0.54 0.00 0.00 174.62 174.01 4ayk n PRO 46 N 1.80 0.64 -1.43 3.99 -0.04 -1.26 -4.50 135.00 134.20 4ayk n PRO 46 Ca -0.22 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.92 4ayk n PRO 46 Cb 0.56 -1.18 0.08 0.00 -0.04 0.00 0.00 33.50 32.91 4ayk n PRO 46 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 4ayk s LEU 47 N -1.36 3.17 0.03 1.53 1.43 -1.26 -4.95 118.68 117.27 4ayk s LEU 47 Ca 0.11 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 4ayk s LEU 47 Cb 0.05 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 4ayk s LEU 47 CO 0.08 -1.94 -0.07 0.42 0.23 0.00 0.00 176.35 175.07 4ayk s THR 48 N -2.65 0.53 0.07 5.49 -4.23 -0.97 -4.67 115.64 109.21 4ayk s THR 48 Ca 0.64 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 60.32 4ayk s THR 48 Cb -0.19 -0.57 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 4ayk s THR 48 CO 0.50 -0.26 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.80 4ayk s PHE 49 N -1.09 1.40 -0.20 3.99 0.08 -1.26 -1.24 117.98 119.66 4ayk s PHE 49 Ca -0.07 -0.42 -0.15 0.00 0.12 0.00 0.00 56.93 56.41 4ayk s PHE 49 Cb -0.08 -0.80 0.06 0.00 -0.57 0.00 0.00 43.02 41.63 4ayk s PHE 49 CO 0.00 0.09 0.51 0.99 -0.10 0.00 0.00 175.22 176.72 4ayk s THR 50 N -1.12 -0.01 0.40 0.64 2.01 -0.97 -4.98 115.64 111.62 4ayk s THR 50 Ca 0.02 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.81 4ayk s THR 50 Cb -0.09 -0.73 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 4ayk s THR 50 CO 0.02 0.01 1.03 -0.75 -0.69 0.00 0.00 174.62 174.25 4ayk s LYS 51 N 0.89 4.17 -0.05 4.92 2.20 -1.26 -2.61 119.74 128.00 4ayk s LYS 51 Ca -0.05 1.45 0.05 0.00 -0.36 0.00 0.00 55.97 57.06 4ayk s LYS 51 Cb -0.05 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.77 4ayk s LYS 51 CO -0.07 -0.12 -0.21 0.14 -0.36 0.00 0.00 175.35 174.73 4ayk s VAL 52 N -1.73 1.72 -1.77 4.02 -7.23 -1.00 -4.89 120.40 109.51 4ayk s VAL 52 Ca 0.58 -0.88 0.23 0.00 -1.81 0.00 0.00 61.98 60.11 4ayk s VAL 52 Cb -0.20 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.29 4ayk s VAL 52 CO 0.25 0.48 1.17 -0.24 -0.31 0.00 0.00 175.10 176.46 4ayk n SER 53 N 3.07 1.60 -3.97 4.85 2.88 -1.26 -4.73 113.62 116.05 4ayk n SER 53 Ca -0.18 -1.25 -0.09 0.00 -1.33 0.00 0.00 58.87 56.02 4ayk n SER 53 Cb 0.52 0.48 -0.09 0.00 -0.75 0.00 0.00 64.21 64.37 4ayk n SER 53 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 4ayk s GLU 54 N -2.59 0.60 0.10 -1.46 2.02 -1.26 -5.11 118.70 111.00 4ayk s GLU 54 Ca 0.18 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.25 4ayk s GLU 54 Cb 0.18 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.64 4ayk s GLU 54 CO 0.61 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.16 4ayk n GLY 55 N 0.53 -2.25 3.80 -1.39 0.00 -1.26 -4.88 105.19 99.75 4ayk n GLY 55 Ca -0.17 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 4ayk n GLY 55 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4ayk s GLN 56 N -2.49 4.23 0.06 1.61 0.74 -1.26 -5.05 119.66 117.50 4ayk s GLN 56 Ca 0.00 1.27 0.04 0.00 0.05 0.00 0.00 55.36 56.72 4ayk s GLN 56 Cb 0.00 -2.37 -0.04 0.00 1.10 0.00 0.00 33.01 31.70 4ayk s GLN 56 CO 0.00 -0.04 -0.00 0.00 -0.55 0.00 0.00 175.29 174.70 4ayk s ALA 57 N -1.93 3.28 0.24 1.58 0.00 -1.26 -5.02 121.76 118.65 4ayk s ALA 57 Ca 0.59 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 4ayk s ALA 57 Cb -0.15 -1.23 0.23 0.00 0.00 0.00 0.00 23.12 21.97 4ayk s ALA 57 CO 0.19 0.69 1.90 -0.44 0.00 0.00 0.00 175.76 178.10 4ayk h ASP 58 N 3.71 1.11 -3.42 0.00 3.32 -1.91 -3.39 116.42 115.84 4ayk h ASP 58 Ca -0.48 -0.05 -0.66 0.00 0.02 0.00 0.00 57.03 55.86 4ayk h ASP 58 Cb 1.17 -0.28 -0.28 0.00 0.22 0.00 0.00 39.33 40.15 4ayk h ASP 58 CO 0.59 0.83 -0.72 -0.63 -1.72 0.00 0.00 179.24 177.59 4ayk s ILE 59 N -6.04 3.31 -0.26 0.35 1.01 -0.92 -4.74 121.20 113.91 4ayk s ILE 59 Ca -0.13 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 4ayk s ILE 59 Cb 0.17 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 4ayk s ILE 59 CO 0.82 0.37 0.15 -0.04 0.00 0.00 0.00 174.94 176.24 4ayk s MET 60 N 1.45 3.94 -0.14 2.79 -1.94 -1.23 -2.65 119.30 121.52 4ayk s MET 60 Ca 0.05 -0.33 -0.02 0.00 -1.71 0.00 0.00 55.69 53.68 4ayk s MET 60 Cb -0.15 -3.54 -0.02 0.00 2.01 0.00 0.00 34.83 33.13 4ayk s MET 60 CO -0.03 -0.08 -0.09 0.42 -0.01 0.00 0.00 175.02 175.23 4ayk s ILE 61 N 1.43 3.44 0.05 2.53 1.01 -1.04 -0.72 121.20 127.90 4ayk s ILE 61 Ca 0.07 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 4ayk s ILE 61 Cb -0.15 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.85 4ayk s ILE 61 CO 0.07 0.51 0.22 -0.94 0.00 0.00 0.00 174.94 174.80 4ayk s SER 62 N 0.34 0.01 -0.09 3.58 1.04 -1.06 -0.90 113.70 116.62 4ayk s SER 62 Ca -0.08 -0.37 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 4ayk s SER 62 Cb -0.15 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 4ayk s SER 62 CO 0.04 -0.59 0.04 -0.36 0.98 0.00 0.00 173.24 173.35 4ayk s PHE 63 N -2.73 3.26 0.16 5.02 0.08 -1.26 -2.70 117.98 119.82 4ayk s PHE 63 Ca -0.04 0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.33 4ayk s PHE 63 Cb -0.00 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 4ayk s PHE 63 CO -0.05 0.53 -0.10 0.14 -0.10 0.00 0.00 175.22 175.64 4ayk s VAL 64 N -0.93 1.28 -0.03 -0.44 -7.23 -1.09 -4.95 120.40 107.01 4ayk s VAL 64 Ca 0.14 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 4ayk s VAL 64 Cb -0.11 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.92 4ayk s VAL 64 CO 0.03 -0.70 -0.09 -0.13 -0.31 0.00 0.00 175.10 173.90 4ayk s ARG 65 N -3.73 1.01 2.73 4.82 0.52 -1.26 -1.77 118.95 121.26 4ayk s ARG 65 Ca 0.18 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 4ayk s ARG 65 Cb 0.02 -0.94 0.00 0.00 0.52 0.00 0.00 34.95 34.56 4ayk s ARG 65 CO 0.02 0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.86 4ayk n GLY 66 N 3.32 2.14 3.71 -3.53 0.00 -1.26 -4.35 105.19 105.22 4ayk n GLY 66 Ca -0.19 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 4ayk n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4ayk s ASP 67 N -4.00 7.22 -0.35 1.61 -1.08 -1.26 -4.00 116.67 114.81 4ayk s ASP 67 Ca 0.00 1.80 0.13 0.00 -0.52 0.00 0.00 52.55 53.96 4ayk s ASP 67 Cb 0.00 -2.57 0.45 0.00 -1.46 0.00 0.00 42.92 39.34 4ayk s ASP 67 CO 0.00 -0.39 1.05 0.00 0.52 0.00 0.00 175.17 176.35 4ayk n HIS 68 N 4.15 2.05 -3.43 -5.34 1.44 -1.26 -4.96 115.22 107.86 4ayk n HIS 68 Ca 0.08 -2.74 -0.21 0.00 -2.01 0.00 0.00 57.72 52.84 4ayk n HIS 68 Cb 0.49 -0.26 0.06 0.00 0.12 0.00 0.00 29.99 30.40 4ayk n HIS 68 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 4ayk n ARG 69 N -0.34 -2.08 -4.05 -1.40 1.74 -1.26 -5.01 116.66 104.26 4ayk n ARG 69 Ca 0.22 0.71 -0.09 0.00 -0.77 0.00 0.00 57.85 57.92 4ayk n ARG 69 Cb 0.78 -5.18 -0.09 0.00 -1.02 0.00 0.00 32.46 26.95 4ayk n ARG 69 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 4ayk s ASP 70 N -3.48 0.27 0.00 0.55 -4.77 -1.26 -5.03 116.67 102.95 4ayk s ASP 70 Ca 0.44 -0.99 0.13 0.00 -3.30 0.00 0.00 52.55 48.83 4ayk s ASP 70 Cb -0.10 0.31 0.40 0.00 -1.09 0.00 0.00 42.92 42.44 4ayk s ASP 70 CO 0.79 -0.73 1.32 0.59 0.70 0.00 0.00 175.17 177.84 4ayk n ASN 71 N -0.06 2.06 -3.19 2.11 3.02 -1.26 -4.33 115.26 113.61 4ayk n ASN 71 Ca -0.10 -1.96 -0.24 0.00 -0.03 0.00 0.00 54.58 52.26 4ayk n ASN 71 Cb 0.63 -0.24 -0.07 0.00 -0.61 0.00 0.00 39.78 39.49 4ayk n ASN 71 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 4ayk n SER 72 N 0.62 0.19 -4.79 6.41 2.88 -1.26 -5.12 113.62 112.55 4ayk n SER 72 Ca 0.14 -2.71 -0.35 0.00 -1.33 0.00 0.00 58.87 54.62 4ayk n SER 72 Cb 0.33 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 4ayk n SER 72 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 4ayk s PRO 73 N -1.23 3.81 0.46 -1.46 0.04 -1.26 -5.02 135.00 130.34 4ayk s PRO 73 Ca 0.35 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 4ayk s PRO 73 Cb 0.18 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 4ayk s PRO 73 CO -0.11 -0.44 0.97 -0.06 0.04 0.00 0.00 177.00 177.40 4ayk s PHE 74 N -1.83 3.30 -0.47 0.56 0.40 -1.26 -5.02 117.98 113.66 4ayk s PHE 74 Ca 0.66 1.57 0.05 0.00 -0.60 0.00 0.00 56.93 58.61 4ayk s PHE 74 Cb -0.20 -2.87 0.20 0.00 0.51 0.00 0.00 43.02 40.66 4ayk s PHE 74 CO 0.24 -0.28 0.45 -3.47 0.70 0.00 0.00 175.22 172.87 4ayk n ASP 75 N -0.92 0.65 0.00 1.36 -0.08 -1.26 -4.71 116.55 111.59 4ayk n ASP 75 Ca 0.07 -2.69 0.00 0.00 -1.51 0.00 0.00 54.79 50.66 4ayk n ASP 75 Cb 0.54 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.38 4ayk n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 4ayk n GLY 76 N 2.12 -3.50 0.15 0.27 0.00 -1.26 -4.44 105.19 98.54 4ayk n GLY 76 Ca 0.26 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.50 4ayk n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 4ayk h PRO 77 N 0.00 0.00 0.00 1.61 0.13 -1.98 -3.44 132.00 128.31 4ayk h PRO 77 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 4ayk h PRO 77 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 4ayk h PRO 77 CO 0.00 0.00 0.15 0.41 -0.23 0.00 0.00 178.00 178.33 4ayk n GLY 78 N 0.10 -0.50 5.94 1.56 0.00 -1.26 -4.94 105.19 106.09 4ayk n GLY 78 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.23 4ayk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ayk n GLY 79 N 0.85 -1.37 3.77 -0.02 0.00 -1.26 -4.63 105.19 102.53 4ayk n GLY 79 Ca 0.08 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 4ayk n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 4ayk s ASN 80 N -4.00 6.95 0.13 1.61 0.02 -1.26 -4.93 114.94 113.46 4ayk s ASN 80 Ca 0.00 2.11 0.24 0.00 -1.02 0.00 0.00 52.86 54.19 4ayk s ASN 80 Cb 0.00 -2.60 0.24 0.00 0.02 0.00 0.00 41.25 38.91 4ayk s ASN 80 CO 0.00 -0.36 1.23 -0.07 0.02 0.00 0.00 177.10 177.92 4ayk h LEU 81 N 2.99 0.00 -7.75 0.60 3.38 -1.92 -3.49 115.31 109.12 4ayk h LEU 81 Ca -0.48 -0.19 0.24 0.00 0.09 0.00 0.00 57.88 57.55 4ayk h LEU 81 Cb 1.21 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 4ayk h LEU 81 CO 0.64 0.09 0.70 0.00 0.09 0.00 0.00 178.44 179.96 4ayk s ALA 82 N -3.21 -1.95 -0.30 1.53 0.00 -1.26 -2.28 121.76 114.29 4ayk s ALA 82 Ca 0.04 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.93 4ayk s ALA 82 Cb 0.13 0.69 0.14 0.00 0.00 0.00 0.00 23.12 24.07 4ayk s ALA 82 CO 0.74 -1.08 0.75 -3.38 0.00 0.00 0.00 175.76 172.80 4ayk s HIS 83 N -2.37 -1.14 0.71 0.00 -3.43 -1.09 -5.01 115.29 102.96 4ayk s HIS 83 Ca 0.20 1.98 -0.08 0.00 -0.80 0.00 0.00 55.06 56.36 4ayk s HIS 83 Cb -0.00 0.68 0.05 0.00 -1.43 0.00 0.00 32.58 31.88 4ayk s HIS 83 CO 0.01 -0.57 1.04 0.00 -2.00 0.00 0.00 174.74 173.23 4ayk s ALA 84 N 2.73 3.03 -0.01 -1.38 0.00 -1.26 -2.90 121.76 121.97 4ayk s ALA 84 Ca -0.05 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.21 4ayk s ALA 84 Cb -0.10 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 4ayk s ALA 84 CO -0.19 -1.27 -0.04 -0.06 0.00 0.00 0.00 175.76 174.21 4ayk s PHE 85 N -3.29 2.97 0.54 0.00 0.08 -0.87 -4.96 117.98 112.44 4ayk s PHE 85 Ca 0.59 0.02 -0.22 0.00 0.12 0.00 0.00 56.93 57.44 4ayk s PHE 85 Cb -0.11 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 4ayk s PHE 85 CO 0.47 0.41 1.35 1.04 -0.10 0.00 0.00 175.22 178.38 4ayk n GLN 86 N 1.57 1.72 -1.69 0.44 6.02 -1.26 -3.73 117.38 120.44 4ayk n GLN 86 Ca -0.15 0.63 -0.44 0.00 -0.01 0.00 0.00 57.00 57.03 4ayk n GLN 86 Cb 0.53 -2.56 -0.03 0.00 1.02 0.00 0.00 30.24 29.19 4ayk n GLN 86 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 4ayk n PRO 87 N -0.91 2.59 0.00 -1.09 -0.04 -1.26 -2.88 135.00 131.41 4ayk n PRO 87 Ca 0.10 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 4ayk n PRO 87 Cb 0.44 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 4ayk n PRO 87 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 4ayk n GLY 88 N 3.98 -0.70 2.97 0.55 0.00 -1.26 -4.61 105.19 106.13 4ayk n GLY 88 Ca 0.18 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 4ayk n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 4ayk n PRO 89 N -0.29 -1.78 0.00 1.61 -0.04 -1.26 -3.53 135.00 129.71 4ayk n PRO 89 Ca 0.00 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 4ayk n PRO 89 Cb 0.00 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 4ayk n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 4ayk n GLY 90 N -2.57 4.03 0.09 0.55 0.00 -1.26 -0.72 105.19 105.31 4ayk n GLY 90 Ca 0.13 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.31 4ayk n GLY 90 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 4ayk n ILE 91 N 0.00 0.66 -1.66 -0.61 3.06 -1.26 -4.83 119.36 114.71 4ayk n ILE 91 Ca 0.00 -0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.81 4ayk n ILE 91 Cb 0.00 -0.84 -0.01 0.00 0.54 0.00 0.00 39.64 39.33 4ayk n ILE 91 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 4ayk n GLY 92 N 0.70 0.42 1.68 4.50 0.00 0.10 -1.35 105.19 111.24 4ayk n GLY 92 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.42 4ayk n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ayk n GLY 93 N 1.19 2.18 3.73 -0.02 0.00 -1.14 -4.38 105.19 106.75 4ayk n GLY 93 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 4ayk n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4ayk s ASP 94 N -2.21 3.76 -0.08 1.61 1.11 -0.46 -3.55 116.67 116.84 4ayk s ASP 94 Ca 0.00 1.67 -0.03 0.00 0.18 0.00 0.00 52.55 54.37 4ayk s ASP 94 Cb 0.00 -2.34 0.05 0.00 1.07 0.00 0.00 42.92 41.70 4ayk s ASP 94 CO 0.00 -2.49 0.16 0.00 1.18 0.00 0.00 175.17 174.02 4ayk s ALA 95 N -2.89 -0.18 -0.15 5.23 0.00 0.10 -2.06 121.76 121.83 4ayk s ALA 95 Ca 0.63 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 53.11 4ayk s ALA 95 Cb -0.18 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 4ayk s ALA 95 CO 0.57 -0.54 0.04 -1.01 0.00 0.00 0.00 175.76 174.82 4ayk s HIS 96 N 2.21 3.22 -0.13 0.00 3.76 -1.14 -2.56 115.29 120.65 4ayk s HIS 96 Ca 0.02 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 4ayk s HIS 96 Cb -0.12 -1.97 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 4ayk s HIS 96 CO -0.06 0.26 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.89 4ayk s PHE 97 N -0.09 2.79 -0.05 1.40 0.40 -1.10 -2.66 117.98 118.68 4ayk s PHE 97 Ca 0.05 -0.69 -0.30 0.00 -0.60 0.00 0.00 56.93 55.39 4ayk s PHE 97 Cb -0.12 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 4ayk s PHE 97 CO 0.01 -0.24 1.61 0.34 0.70 0.00 0.00 175.22 177.65 4ayk s ASP 98 N 0.37 6.69 0.00 1.36 -1.08 -0.97 -2.69 116.67 120.36 4ayk s ASP 98 Ca -0.11 2.21 0.23 0.00 -0.52 0.00 0.00 52.55 54.36 4ayk s ASP 98 Cb -0.16 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 39.26 4ayk s ASP 98 CO 0.06 -0.90 1.45 1.21 0.52 0.00 0.00 175.17 177.51 4ayk n GLU 99 N 6.87 2.54 0.25 4.34 2.13 -0.73 -4.23 120.64 131.82 4ayk n GLU 99 Ca 0.17 -2.35 0.15 0.00 0.66 0.00 0.00 57.16 55.78 4ayk n GLU 99 Cb 0.43 -1.53 0.46 0.00 0.27 0.00 0.00 31.44 31.07 4ayk n GLU 99 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 4ayk h ASP 100 N 4.35 0.00 -2.19 4.31 3.32 -1.89 -3.44 116.42 120.89 4ayk h ASP 100 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 4ayk h ASP 100 Cb 0.97 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 4ayk h ASP 100 CO 0.00 0.01 -0.50 -1.61 -1.72 0.00 0.00 179.24 175.42 4ayk s GLU 101 N -3.47 3.06 -0.26 3.56 2.02 -1.26 -5.02 118.70 117.34 4ayk s GLU 101 Ca 0.04 -0.98 -0.25 0.00 0.02 0.00 0.00 54.97 53.80 4ayk s GLU 101 Cb 0.07 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.65 4ayk s GLU 101 CO 0.60 0.40 0.87 0.50 0.02 0.00 0.00 175.26 177.66 4ayk s ARG 102 N -3.88 4.14 0.25 1.61 3.52 -1.26 -5.04 118.95 118.29 4ayk s ARG 102 Ca 0.33 0.95 -0.13 0.00 -0.13 0.00 0.00 55.73 56.76 4ayk s ARG 102 Cb -0.08 -3.67 -0.08 0.00 -1.56 0.00 0.00 34.95 29.56 4ayk s ARG 102 CO 0.26 -0.60 0.62 -1.58 -0.81 0.00 0.00 175.30 173.19 4ayk s TRP 103 N 2.99 3.45 0.35 5.12 0.52 -1.26 -4.61 118.94 125.49 4ayk s TRP 103 Ca 0.37 1.04 0.07 0.00 0.02 0.00 0.00 56.10 57.59 4ayk s TRP 103 Cb -0.15 -2.39 -0.07 0.00 -1.15 0.00 0.00 33.47 29.72 4ayk s TRP 103 CO 0.09 0.24 -0.01 0.95 0.02 0.00 0.00 176.95 178.23 4ayk s THR 104 N -1.80 1.77 -0.28 2.01 -4.23 -1.18 -4.89 115.64 107.03 4ayk s THR 104 Ca 0.48 -2.06 0.12 0.00 -1.18 0.00 0.00 61.69 59.04 4ayk s THR 104 Cb -0.12 -2.77 0.67 0.00 1.34 0.00 0.00 72.50 71.62 4ayk s THR 104 CO 0.20 -0.10 1.67 0.59 -0.54 0.00 0.00 174.62 176.44 4ayk n ASN 105 N -0.78 4.33 -0.50 3.99 3.02 -1.26 -3.60 115.26 120.46 4ayk n ASN 105 Ca -0.04 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 4ayk n ASN 105 Cb 0.65 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 4ayk n ASN 105 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 4ayk n ASN 106 N -0.35 0.00 -1.55 6.41 0.23 -1.26 -5.03 115.26 113.71 4ayk n ASN 106 Ca 0.35 -0.50 -0.08 0.00 -0.53 0.00 0.00 54.58 53.82 4ayk n ASN 106 Cb 1.22 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 39.05 4ayk n ASN 106 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 4ayk n PHE 107 N 0.00 1.52 0.00 -2.53 -1.74 -1.26 -4.27 117.46 109.18 4ayk n PHE 107 Ca 0.00 -0.98 0.00 0.00 -0.56 0.00 0.00 57.45 55.91 4ayk n PHE 107 Cb 0.00 -0.54 0.00 0.00 1.52 0.00 0.00 39.48 40.46 4ayk n PHE 107 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 4ayk n ARG 108 N -0.18 1.52 -0.04 3.97 1.74 -1.26 -4.83 116.66 117.59 4ayk n ARG 108 Ca 0.27 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.34 4ayk n ARG 108 Cb 1.03 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.46 4ayk n ARG 108 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 4ayk n GLU 109 N 0.00 -0.04 -4.51 5.56 -0.58 -1.26 -4.19 120.64 115.62 4ayk n GLU 109 Ca 0.00 0.27 -0.23 0.00 -0.42 0.00 0.00 57.16 56.78 4ayk n GLU 109 Cb 0.00 -0.39 -0.16 0.00 -0.57 0.00 0.00 31.44 30.31 4ayk n GLU 109 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 4ayk s TYR 110 N -3.97 1.25 -0.37 -0.32 2.02 -1.26 -5.10 117.35 109.61 4ayk s TYR 110 Ca -0.01 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.12 4ayk s TYR 110 Cb 0.01 -0.92 -0.00 0.00 -0.40 0.00 0.00 41.96 40.65 4ayk s TYR 110 CO 0.06 -0.21 0.43 1.21 -1.57 0.00 0.00 175.55 175.47 4ayk s ASN 111 N 0.51 6.22 0.14 2.29 2.47 -1.26 -3.11 114.94 122.20 4ayk s ASN 111 Ca -0.10 -0.28 -0.11 0.00 0.42 0.00 0.00 52.86 52.78 4ayk s ASN 111 Cb -0.13 -2.23 -0.03 0.00 -1.45 0.00 0.00 41.25 37.41 4ayk s ASN 111 CO 0.02 -0.44 1.49 0.25 -3.72 0.00 0.00 177.10 174.70 4ayk h LEU 112 N 8.94 0.99 -0.72 3.21 5.85 -1.81 -2.99 115.31 128.77 4ayk h LEU 112 Ca -0.28 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.01 4ayk h LEU 112 Cb 1.13 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 4ayk h LEU 112 CO 0.74 1.23 0.47 -0.74 -0.34 0.00 0.00 178.44 179.80 4ayk h HIS 113 N 0.77 0.89 -0.86 1.25 2.76 -1.89 0.15 115.15 118.23 4ayk h HIS 113 Ca 0.08 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 4ayk h HIS 113 Cb 0.91 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.53 4ayk h HIS 113 CO 0.06 0.55 0.57 -0.09 -1.30 0.00 0.00 177.93 177.72 4ayk h ARG 114 N 0.95 1.11 -0.35 5.26 2.43 -1.94 0.12 114.38 121.97 4ayk h ARG 114 Ca 0.27 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.21 4ayk h ARG 114 Cb -0.08 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.22 4ayk h ARG 114 CO -0.07 0.74 -0.44 0.28 -1.51 0.00 0.00 179.97 178.96 4ayk h VAL 115 N 1.14 1.27 -0.90 0.20 2.07 -1.27 -2.69 116.25 116.08 4ayk h VAL 115 Ca 0.32 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.22 4ayk h VAL 115 Cb -0.10 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 4ayk h VAL 115 CO -0.08 0.54 0.56 0.00 0.02 0.00 0.00 177.57 178.61 4ayk h ALA 116 N 0.77 1.15 -0.92 1.67 0.00 0.11 -0.61 119.26 121.42 4ayk h ALA 116 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.88 4ayk h ALA 116 Cb 1.04 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 4ayk h ALA 116 CO 0.10 0.58 0.60 0.00 0.00 0.00 0.00 179.25 180.54 4ayk h ALA 117 N 1.31 1.33 0.01 0.00 0.00 -0.60 -0.09 119.26 121.22 4ayk h ALA 117 Ca 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 4ayk h ALA 117 Cb -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.33 4ayk h ALA 117 CO -0.06 0.61 -0.00 1.25 0.00 0.00 0.00 179.25 181.05 4ayk h HIS 118 N 1.25 -0.01 -1.00 0.00 6.17 -0.97 -2.47 115.15 118.13 4ayk h HIS 118 Ca 0.34 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.43 4ayk h HIS 118 Cb -0.13 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 29.75 4ayk h HIS 118 CO 0.00 0.48 0.66 0.93 0.71 0.00 0.00 177.93 180.71 4ayk h GLU 119 N -0.49 1.31 -0.87 5.26 5.08 -0.90 -1.67 114.58 122.31 4ayk h GLU 119 Ca -0.00 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 4ayk h GLU 119 Cb 0.49 -0.30 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 4ayk h GLU 119 CO 0.00 0.87 0.43 -0.07 -1.00 0.00 0.00 179.01 179.24 4ayk h LEU 120 N 1.35 1.11 -0.96 1.33 3.38 -1.02 -2.11 115.31 118.40 4ayk h LEU 120 Ca 0.37 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.25 4ayk h LEU 120 Cb -0.15 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.26 4ayk h LEU 120 CO -0.08 0.92 0.63 1.23 0.09 0.00 0.00 178.44 181.23 4ayk h GLY 121 N 1.23 1.40 1.16 0.83 0.00 -0.82 0.14 103.07 107.00 4ayk h GLY 121 Ca 0.30 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 4ayk h GLY 121 CO -0.04 0.42 0.39 0.45 0.00 0.00 0.00 176.54 177.76 4ayk h HIS 122 N 1.22 1.09 0.00 5.60 3.86 -1.01 0.66 115.15 126.56 4ayk h HIS 122 Ca 0.38 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.51 4ayk h HIS 122 Cb -0.01 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.11 4ayk h HIS 122 CO -0.01 0.78 -0.21 0.77 0.86 0.00 0.00 177.93 180.12 4ayk h SER 123 N 1.09 0.00 0.02 2.45 0.02 -0.56 -1.22 113.55 115.36 4ayk h SER 123 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 4ayk h SER 123 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 4ayk h SER 123 CO -0.04 0.21 -0.01 0.18 -1.14 0.00 0.00 176.83 176.03 4ayk n LEU 124 N -3.47 0.60 0.00 5.07 4.77 0.31 -4.86 117.00 119.42 4ayk n LEU 124 Ca -0.00 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 4ayk n LEU 124 Cb 0.38 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 4ayk n LEU 124 CO 0.33 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 4ayk n GLY 125 N 1.08 0.64 3.68 -0.72 0.00 -0.46 -4.94 105.19 104.48 4ayk n GLY 125 Ca 0.22 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 4ayk n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4ayk s LEU 126 N 0.00 4.21 0.59 0.99 1.43 -0.07 -4.99 118.68 120.84 4ayk s LEU 126 Ca 0.00 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 54.39 4ayk s LEU 126 Cb 0.00 -3.37 0.03 0.00 0.03 0.00 0.00 46.19 42.88 4ayk s LEU 126 CO 0.00 -0.41 0.87 -0.44 0.23 0.00 0.00 176.35 176.59 4ayk s SER 127 N 1.11 5.35 0.61 2.29 0.01 -1.26 -4.19 113.70 117.62 4ayk s SER 127 Ca 0.43 0.42 -0.17 0.00 1.31 0.00 0.00 55.95 57.93 4ayk s SER 127 Cb -0.17 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 4ayk s SER 127 CO 0.15 -1.17 1.14 -1.00 0.41 0.00 0.00 173.24 172.76 4ayk s HIS 128 N -2.94 2.56 0.34 2.43 0.09 -1.26 -5.00 115.29 111.51 4ayk s HIS 128 Ca 0.55 1.55 0.05 0.00 -0.00 0.00 0.00 55.06 57.21 4ayk s HIS 128 Cb -0.10 -3.28 -0.07 0.00 -0.00 0.00 0.00 32.58 29.13 4ayk s HIS 128 CO 0.42 -1.79 0.04 0.45 -0.00 0.00 0.00 174.74 173.87 4ayk s SER 129 N -2.09 2.68 0.00 1.40 0.15 -1.26 -5.04 113.70 109.53 4ayk s SER 129 Ca 0.71 -1.37 0.24 0.00 0.70 0.00 0.00 55.95 56.24 4ayk s SER 129 Cb -0.24 -0.15 0.32 0.00 -1.71 0.00 0.00 66.02 64.24 4ayk s SER 129 CO 0.35 -0.56 1.33 0.35 1.20 0.00 0.00 173.24 175.91 4ayk n THR 130 N -0.73 0.10 -2.61 6.45 -2.24 -1.26 -4.71 114.28 109.28 4ayk n THR 130 Ca -0.03 -0.52 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 4ayk n THR 130 Cb 0.66 1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 70.17 4ayk n THR 130 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 4ayk s ASP 131 N -1.90 7.03 0.24 3.42 -1.08 -1.26 -4.91 116.67 118.22 4ayk s ASP 131 Ca 0.31 1.38 -0.07 0.00 -0.52 0.00 0.00 52.55 53.65 4ayk s ASP 131 Cb 0.21 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.37 4ayk s ASP 131 CO 0.31 -0.73 1.92 0.40 0.52 0.00 0.00 175.17 177.58 4ayk h ILE 132 N 5.52 1.25 0.00 4.11 2.04 -1.94 -1.30 117.51 127.18 4ayk h ILE 132 Ca -0.21 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.20 4ayk h ILE 132 Cb 1.07 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 4ayk h ILE 132 CO 0.99 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.99 4ayk n GLY 133 N -1.36 -0.56 3.86 5.37 0.00 -1.26 -4.71 105.19 106.52 4ayk n GLY 133 Ca 0.11 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 4ayk n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4ayk s ALA 134 N -2.38 3.24 0.27 4.61 0.00 -0.49 -4.74 121.76 122.27 4ayk s ALA 134 Ca 0.13 -0.03 0.27 0.00 0.00 0.00 0.00 51.96 52.33 4ayk s ALA 134 Cb 0.08 -2.87 1.23 0.00 0.00 0.00 0.00 23.12 21.56 4ayk s ALA 134 CO 0.16 -0.06 1.96 -0.07 0.00 0.00 0.00 175.76 177.76 4ayk h LEU 135 N 1.24 0.00 -5.50 0.00 3.38 -1.86 -3.31 115.31 109.26 4ayk h LEU 135 Ca -0.47 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.97 4ayk h LEU 135 Cb 1.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.95 4ayk h LEU 135 CO 0.63 0.16 2.99 0.23 0.09 0.00 0.00 178.44 182.54 4ayk n MET 136 N -3.46 2.55 -2.24 1.13 2.81 -1.26 -4.91 117.12 111.74 4ayk n MET 136 Ca -0.01 -1.83 -0.42 0.00 -1.81 0.00 0.00 57.70 53.63 4ayk n MET 136 Cb 0.33 -2.69 -0.03 0.00 -0.71 0.00 0.00 33.22 30.12 4ayk n MET 136 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 4ayk s TYR 137 N 3.23 2.78 -0.99 2.03 6.14 -1.25 -4.24 117.35 125.05 4ayk s TYR 137 Ca 0.51 0.80 0.00 0.00 0.64 0.00 0.00 57.07 59.02 4ayk s TYR 137 Cb 0.13 -3.65 0.00 0.00 0.42 0.00 0.00 41.96 38.86 4ayk s TYR 137 CO -0.03 -2.43 0.38 -2.30 0.64 0.00 0.00 175.55 171.82 4ayk n PRO 138 N 5.71 0.00 -3.82 4.97 -0.02 -1.26 -4.61 135.00 135.97 4ayk n PRO 138 Ca 0.14 0.06 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 4ayk n PRO 138 Cb 0.44 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 4ayk n PRO 138 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 4ayk s SER 139 N -1.77 -0.10 -0.07 2.55 0.01 -1.26 -5.14 113.70 107.92 4ayk s SER 139 Ca 0.00 -0.75 -0.24 0.00 1.31 0.00 0.00 55.95 56.27 4ayk s SER 139 Cb 0.00 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.87 4ayk s SER 139 CO 0.00 -1.29 0.71 -0.47 0.41 0.00 0.00 173.24 172.59 4ayk s TYR 140 N -2.92 3.57 0.23 2.43 5.04 -1.26 -5.04 117.35 119.40 4ayk s TYR 140 Ca 0.15 1.25 -0.14 0.00 -2.44 0.00 0.00 57.07 55.89 4ayk s TYR 140 Cb -0.04 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.46 4ayk s TYR 140 CO 0.07 0.07 0.50 0.95 -1.34 0.00 0.00 175.55 175.80 4ayk s THR 141 N 0.86 0.01 0.12 4.34 -4.23 -1.26 -5.12 115.64 110.37 4ayk s THR 141 Ca 0.38 -1.25 -0.32 0.00 -1.18 0.00 0.00 61.69 59.32 4ayk s THR 141 Cb -0.18 -2.04 -0.11 0.00 1.34 0.00 0.00 72.50 71.51 4ayk s THR 141 CO 0.18 -0.05 1.81 0.33 -0.54 0.00 0.00 174.62 176.35 4ayk n PHE 142 N -0.37 2.59 -4.50 3.99 -0.00 -1.26 -4.99 117.46 112.93 4ayk n PHE 142 Ca -0.04 -0.09 -0.21 0.00 -0.00 0.00 0.00 57.45 57.11 4ayk n PHE 142 Cb 0.62 -2.71 -0.14 0.00 -0.00 0.00 0.00 39.48 37.25 4ayk n PHE 142 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 4ayk s SER 143 N 2.50 1.65 0.00 -2.13 0.01 -1.26 -5.14 113.70 109.33 4ayk s SER 143 Ca 0.82 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.73 4ayk s SER 143 Cb -0.51 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.57 4ayk s SER 143 CO 0.38 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.74 4ayk n GLY 144 N 2.34 -2.40 3.86 3.44 0.00 -1.26 -4.89 105.19 106.28 4ayk n GLY 144 Ca -0.16 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 4ayk n GLY 144 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4ayk s ASP 145 N -1.81 6.52 -0.45 1.61 1.01 -1.26 -5.00 116.67 117.30 4ayk s ASP 145 Ca 0.00 1.41 -0.23 0.00 0.71 0.00 0.00 52.55 54.44 4ayk s ASP 145 Cb 0.00 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.51 4ayk s ASP 145 CO 0.00 -0.58 0.79 -0.69 0.21 0.00 0.00 175.17 174.90 4ayk s VAL 146 N -2.65 4.65 0.05 -1.27 1.01 -1.26 -5.01 120.40 115.92 4ayk s VAL 146 Ca 0.56 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 4ayk s VAL 146 Cb -0.10 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 4ayk s VAL 146 CO 0.35 -0.71 0.05 -1.10 0.00 0.00 0.00 175.10 173.70 4ayk s GLN 147 N 3.30 0.63 0.42 2.72 -0.21 -1.26 -5.13 119.66 120.14 4ayk s GLN 147 Ca 0.30 -0.99 -0.24 0.00 0.02 0.00 0.00 55.36 54.46 4ayk s GLN 147 Cb -0.12 0.24 -0.08 0.00 1.00 0.00 0.00 33.01 34.04 4ayk s GLN 147 CO 0.22 -0.15 1.11 -0.51 -2.12 0.00 0.00 175.29 173.84 4ayk s LEU 148 N -2.58 4.10 0.41 2.90 1.43 -1.26 -4.88 118.68 118.79 4ayk s LEU 148 Ca 0.02 2.18 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 4ayk s LEU 148 Cb 0.04 -4.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 4ayk s LEU 148 CO -0.08 -0.68 0.61 0.00 0.23 0.00 0.00 176.35 176.44 4ayk s ALA 149 N -1.59 3.77 0.25 4.21 0.00 -1.26 -4.93 121.76 122.21 4ayk s ALA 149 Ca 0.60 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 4ayk s ALA 149 Cb -0.26 -2.10 0.25 0.00 0.00 0.00 0.00 23.12 21.01 4ayk s ALA 149 CO 0.32 -0.23 1.92 0.37 0.00 0.00 0.00 175.76 178.14 4ayk h GLN 150 N 0.56 1.30 -0.86 0.00 4.15 -1.96 -0.71 115.11 117.60 4ayk h GLN 150 Ca -0.47 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 58.90 4ayk h GLN 150 Cb 1.24 -0.29 -0.05 0.00 0.21 0.00 0.00 27.48 28.59 4ayk h GLN 150 CO 0.58 0.87 0.54 0.22 -1.93 0.00 0.00 178.83 179.12 4ayk h ASP 151 N 1.34 0.89 -0.25 -0.69 1.82 -1.95 0.12 116.42 117.70 4ayk h ASP 151 Ca 0.36 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.82 4ayk h ASP 151 Cb -0.14 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.68 4ayk h ASP 151 CO -0.08 0.60 -0.55 0.44 -1.61 0.00 0.00 179.24 178.05 4ayk h ASP 152 N 1.04 0.91 -0.02 2.28 3.32 -1.72 0.36 116.42 122.59 4ayk h ASP 152 Ca 0.35 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 4ayk h ASP 152 Cb 0.06 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 4ayk h ASP 152 CO -0.13 1.29 0.01 0.40 -1.72 0.00 0.00 179.24 179.09 4ayk h ILE 153 N 0.56 1.15 -0.58 0.35 2.04 -0.71 0.14 117.51 120.46 4ayk h ILE 153 Ca 0.00 -0.45 -0.11 0.00 1.00 0.00 0.00 64.86 65.30 4ayk h ILE 153 Cb 1.16 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 4ayk h ILE 153 CO 0.12 0.12 -0.05 0.44 0.00 0.00 0.00 178.15 178.78 4ayk h ASP 154 N -0.16 1.05 0.19 1.72 3.32 -0.80 -0.47 116.42 121.28 4ayk h ASP 154 Ca 0.01 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 4ayk h ASP 154 Cb 0.19 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.46 4ayk h ASP 154 CO -0.00 1.13 -0.09 1.23 -1.72 0.00 0.00 179.24 179.78 4ayk h GLY 155 N 0.96 -0.27 1.06 2.75 0.00 -0.77 0.54 103.07 107.35 4ayk h GLY 155 Ca 0.16 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 4ayk h GLY 155 CO 0.04 -0.10 0.20 1.19 0.00 0.00 0.00 176.54 177.88 4ayk h ILE 156 N -0.56 1.26 -0.65 2.60 6.09 -0.74 -2.41 117.51 123.10 4ayk h ILE 156 Ca -0.03 -0.95 -0.08 0.00 -1.37 0.00 0.00 64.86 62.43 4ayk h ILE 156 Cb 0.42 0.48 -0.03 0.00 0.47 0.00 0.00 36.82 38.16 4ayk h ILE 156 CO 0.04 0.37 0.09 1.56 -3.07 0.00 0.00 178.15 177.14 4ayk h GLN 157 N 1.11 1.08 -0.83 2.19 4.20 -1.04 -2.78 115.11 119.04 4ayk h GLN 157 Ca 0.23 -0.30 0.01 0.00 0.06 0.00 0.00 58.65 58.66 4ayk h GLN 157 Cb 0.35 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 4ayk h GLN 157 CO -0.00 1.00 0.55 0.00 -0.67 0.00 0.00 178.83 179.71 4ayk h ALA 158 N 1.07 1.05 -0.22 3.87 0.00 -0.50 2.33 119.26 126.85 4ayk h ALA 158 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 4ayk h ALA 158 Cb 0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 4ayk h ALA 158 CO 0.02 0.46 0.15 0.82 0.00 0.00 0.00 179.25 180.69 4ayk h ILE 159 N 1.12 1.06 0.00 0.00 2.04 -1.18 -3.38 117.51 117.17 4ayk h ILE 159 Ca 0.30 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.06 4ayk h ILE 159 Cb -0.13 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 4ayk h ILE 159 CO -0.07 0.06 -0.47 -1.22 0.00 0.00 0.00 178.15 176.45 4ayk n TYR 160 N -4.93 0.00 -3.98 1.37 4.01 -0.97 -5.14 117.16 107.51 4ayk n TYR 160 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 4ayk n TYR 160 Cb 0.03 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 4ayk n TYR 160 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4ayk n GLY 161 N 1.62 -1.36 3.86 2.72 0.00 0.78 -5.06 105.19 107.75 4ayk n GLY 161 Ca -0.07 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 4ayk n GLY 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4ayk s ARG 162 N -2.00 3.87 -1.00 1.61 0.52 -1.26 -4.42 118.95 116.26 4ayk s ARG 162 Ca 0.00 0.33 -0.24 0.00 -0.52 0.00 0.00 55.73 55.30 4ayk s ARG 162 Cb 0.00 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 4ayk s ARG 162 CO 0.00 0.50 1.88 -1.12 0.02 0.00 0.00 175.30 176.58 4ayk s SER 163 N -1.79 5.35 -0.86 0.23 0.01 -1.25 -4.88 113.70 110.51 4ayk s SER 163 Ca 0.36 -1.07 -0.21 0.00 1.31 0.00 0.00 55.95 56.35 4ayk s SER 163 Cb -0.14 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.61 4ayk s SER 163 CO 0.19 -2.61 1.14 -1.10 0.41 0.00 0.00 173.24 171.28 4ayk s GLN 164 N 6.53 3.43 -0.33 12.44 -0.21 -1.26 -4.88 119.66 135.38 4ayk s GLN 164 Ca 0.66 -1.30 0.05 0.00 0.02 0.00 0.00 55.36 54.78 4ayk s GLN 164 Cb -0.04 -4.76 0.17 0.00 1.00 0.00 0.00 33.01 29.38 4ayk s GLN 164 CO 0.02 -1.88 0.50 -0.80 -2.12 0.00 0.00 175.29 171.00 4ayk s ASN 165 N 3.89 -0.45 -1.21 5.90 0.01 -1.26 -5.04 114.94 116.77 4ayk s ASN 165 Ca 0.32 -0.47 -0.09 0.00 -0.71 0.00 0.00 52.86 51.91 4ayk s ASN 165 Cb -0.08 1.46 -0.14 0.00 0.41 0.00 0.00 41.25 42.91 4ayk s ASN 165 CO -0.03 -0.29 3.14 -0.81 -1.51 0.00 0.00 177.10 177.60 4ayk n PRO 166 N 5.03 3.28 -3.76 -0.60 -0.04 -1.26 -4.80 135.00 132.85 4ayk n PRO 166 Ca 0.05 -1.90 -0.14 0.00 -0.04 0.00 0.00 63.50 61.48 4ayk n PRO 166 Cb 0.52 -2.60 -0.15 0.00 -0.04 0.00 0.00 33.50 31.23 4ayk n PRO 166 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 4ayk s VAL 167 N 1.86 -0.05 0.53 0.52 1.01 -1.26 -5.14 120.40 117.87 4ayk s VAL 167 Ca 0.69 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.64 4ayk s VAL 167 Cb 0.22 -0.21 -0.06 0.00 0.00 0.00 0.00 36.38 36.33 4ayk s VAL 167 CO -0.04 0.07 1.19 -1.10 0.00 0.00 0.00 175.10 175.22 4ayk s GLN 168 N 1.10 3.35 0.00 2.72 1.11 -1.26 -5.23 119.66 121.45 4ayk s GLN 168 Ca -0.09 1.80 0.00 0.00 0.01 0.00 0.00 55.36 57.09 4ayk s GLN 168 Cb -0.11 -2.14 0.00 0.00 -1.01 0.00 0.00 33.01 29.74 4ayk s GLN 168 CO -0.05 -0.90 0.21 -2.30 0.01 0.00 0.00 175.29 172.26