#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 1.08-10.31 7.52 4.07 -2.03 -3.42 115.31 112.22 4ayk h LEU 2 Ca 0.00 -0.03 -0.46 0.00 0.08 0.00 0.00 57.88 57.47 4ayk h LEU 2 Cb 0.00 -0.27 0.02 0.00 1.08 0.00 0.00 40.66 41.49 4ayk h LEU 2 CO 0.00 0.78 -0.16 0.42 -1.08 0.00 0.00 178.44 178.41 4ayk s THR 3 N -6.12 4.43 0.12 0.22 -4.23 -1.26 -5.04 115.64 103.76 4ayk s THR 3 Ca -0.13 -0.53 -0.31 0.00 -1.18 0.00 0.00 61.69 59.54 4ayk s THR 3 Cb 0.17 -3.62 -0.07 0.00 1.34 0.00 0.00 72.50 70.32 4ayk s THR 3 CO 0.81 -0.40 1.27 -0.70 -0.54 0.00 0.00 174.62 175.05 4ayk s GLU 4 N -4.43 4.41 3.27 3.99 2.12 -1.26 -4.75 118.70 122.05 4ayk s GLU 4 Ca 0.45 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.69 4ayk s GLU 4 Cb -0.10 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.01 4ayk s GLU 4 CO 0.37 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 4ayk n GLY 5 N 3.00 0.16 3.83 -1.50 0.00 -1.26 -4.73 105.19 104.70 4ayk n GLY 5 Ca 0.08 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 6.92 -0.71 1.61 -0.87 -1.26 -4.67 114.94 111.96 4ayk s ASN 6 Ca 0.00 1.41 -0.26 0.00 -1.57 0.00 0.00 52.86 52.45 4ayk s ASN 6 Cb 0.00 -2.42 -0.09 0.00 -0.02 0.00 0.00 41.25 38.71 4ayk s ASN 6 CO 0.00 -0.15 2.28 -2.16 -2.57 0.00 0.00 177.10 174.50 4ayk s PRO 7 N -2.65 1.99 0.04 -0.60 0.04 -1.26 -4.89 135.00 127.68 4ayk s PRO 7 Ca 0.52 0.61 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 4ayk s PRO 7 Cb -0.13 -4.74 -0.01 0.00 0.04 0.00 0.00 34.50 29.67 4ayk s PRO 7 CO 0.18 -3.80 0.13 1.03 0.04 0.00 0.00 177.00 174.58 4ayk s ARG 8 N 8.23 0.64 0.03 4.56 0.52 -1.26 -4.37 118.95 127.31 4ayk s ARG 8 Ca 0.88 -0.75 -0.26 0.00 -0.52 0.00 0.00 55.73 55.08 4ayk s ARG 8 Cb -0.13 0.26 -0.05 0.00 0.52 0.00 0.00 34.95 35.55 4ayk s ARG 8 CO 0.12 -0.17 0.80 -1.58 0.02 0.00 0.00 175.30 174.49 4ayk s TRP 9 N -2.75 3.71 0.12 -0.53 0.52 -1.26 -4.96 118.94 113.79 4ayk s TRP 9 Ca -0.04 1.49 -0.06 0.00 0.02 0.00 0.00 56.10 57.52 4ayk s TRP 9 Cb -0.00 -2.87 -0.11 0.00 -1.15 0.00 0.00 33.47 29.34 4ayk s TRP 9 CO -0.05 0.21 1.30 0.93 0.02 0.00 0.00 176.95 179.35 4ayk h GLU 10 N 5.94 0.48 -7.22 4.98 5.08 -1.99 -3.45 114.58 118.41 4ayk h GLU 10 Ca -0.43 -0.49 -0.48 0.00 -1.00 0.00 0.00 59.36 56.96 4ayk h GLU 10 Cb 1.21 0.14 0.02 0.00 0.50 0.00 0.00 28.75 30.61 4ayk h GLU 10 CO 0.72 1.14 0.38 1.14 -1.00 0.00 0.00 179.01 181.39 4ayk s GLN 11 N -3.33 3.90 0.00 2.33 -2.07 -1.26 -4.95 119.66 114.27 4ayk s GLN 11 Ca -0.07 0.92 0.25 0.00 -1.82 0.00 0.00 55.36 54.65 4ayk s GLN 11 Cb 0.09 -2.13 0.47 0.00 -1.09 0.00 0.00 33.01 30.35 4ayk s GLN 11 CO 0.88 -0.32 1.40 0.25 -1.32 0.00 0.00 175.29 176.18 4ayk n THR 12 N -1.76 0.00 -4.66 3.63 -2.24 -1.26 -4.85 114.28 103.14 4ayk n THR 12 Ca 0.06 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 4ayk n THR 12 Cb 0.54 0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.27 2.89 0.11 4.78 3.76 -1.26 -1.96 115.29 121.34 4ayk s HIS 13 Ca 0.26 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 54.97 4ayk s HIS 13 Cb 0.19 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 4ayk s HIS 13 CO 0.45 0.10 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.85 4ayk s LEU 14 N -0.28 2.52 0.09 0.89 1.43 -0.72 -4.98 118.68 117.64 4ayk s LEU 14 Ca 0.03 -1.00 0.05 0.00 -1.03 0.00 0.00 54.13 52.18 4ayk s LEU 14 Cb -0.13 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 4ayk s LEU 14 CO 0.03 -0.42 -0.13 0.42 0.23 0.00 0.00 176.35 176.47 4ayk s THR 15 N -3.51 1.13 0.06 5.49 -4.23 -1.26 -2.18 115.64 111.14 4ayk s THR 15 Ca 0.13 -1.52 -0.06 0.00 -1.18 0.00 0.00 61.69 59.06 4ayk s THR 15 Cb 0.04 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.58 4ayk s THR 15 CO -0.03 -0.38 0.11 -0.72 -0.54 0.00 0.00 174.62 173.07 4ayk s TYR 16 N -1.86 0.25 -0.15 3.99 1.13 -1.09 -1.74 117.35 117.88 4ayk s TYR 16 Ca 0.03 -0.66 -0.12 0.00 -1.41 0.00 0.00 57.07 54.91 4ayk s TYR 16 Cb -0.06 -0.16 0.04 0.00 -1.10 0.00 0.00 41.96 40.68 4ayk s TYR 16 CO 0.02 -0.45 0.39 0.50 -2.51 0.00 0.00 175.55 173.49 4ayk s ARG 17 N -3.49 0.42 -0.23 -3.49 3.52 -0.93 -2.44 118.95 112.32 4ayk s ARG 17 Ca 0.02 0.60 -0.18 0.00 -0.13 0.00 0.00 55.73 56.04 4ayk s ARG 17 Cb 0.04 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 4ayk s ARG 17 CO -0.09 -0.08 0.53 0.42 -0.81 0.00 0.00 175.30 175.27 4ayk s ILE 18 N 0.55 5.08 0.20 4.11 1.01 -1.26 -2.14 121.20 128.74 4ayk s ILE 18 Ca -0.03 0.95 -0.08 0.00 0.00 0.00 0.00 60.65 61.49 4ayk s ILE 18 Cb -0.04 -3.85 0.12 0.00 0.01 0.00 0.00 42.46 38.69 4ayk s ILE 18 CO -0.03 0.12 1.72 -0.33 0.00 0.00 0.00 174.94 176.42 4ayk h GLU 19 N 7.72 1.14 -2.84 2.79 5.08 -1.51 -3.46 114.58 123.50 4ayk h GLU 19 Ca -0.31 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 4ayk h GLU 19 Cb 1.14 -0.15 -0.13 0.00 0.50 0.00 0.00 28.75 30.11 4ayk h GLU 19 CO 0.73 1.00 0.21 0.54 -1.00 0.00 0.00 179.01 180.49 4ayk s ASN 20 N -6.44 -0.58 -0.17 1.42 4.22 -1.26 -5.10 114.94 107.02 4ayk s ASN 20 Ca -0.12 0.11 -0.08 0.00 -2.14 0.00 0.00 52.86 50.63 4ayk s ASN 20 Cb 0.15 0.59 -0.04 0.00 1.28 0.00 0.00 41.25 43.22 4ayk s ASN 20 CO 0.85 -0.91 0.12 -0.31 -2.04 0.00 0.00 177.10 174.81 4ayk s TYR 21 N -3.35 3.46 0.39 1.54 2.02 -1.26 -4.67 117.35 115.47 4ayk s TYR 21 Ca -0.01 0.38 -0.26 0.00 -0.37 0.00 0.00 57.07 56.81 4ayk s TYR 21 Cb -0.01 -2.06 -0.09 0.00 -0.40 0.00 0.00 41.96 39.40 4ayk s TYR 21 CO -0.09 0.45 1.16 -0.08 -1.57 0.00 0.00 175.55 175.42 4ayk s THR 22 N -0.19 3.20 -0.88 -0.71 -1.32 -1.26 -4.89 115.64 109.60 4ayk s THR 22 Ca 0.10 1.03 0.09 0.00 -1.21 0.00 0.00 61.69 61.70 4ayk s THR 22 Cb -0.11 -3.58 0.08 0.00 -1.51 0.00 0.00 72.50 67.37 4ayk s THR 22 CO 0.01 0.11 1.27 -0.81 -2.21 0.00 0.00 174.62 172.99 4ayk n PRO 23 N 0.20 0.03 -0.37 7.08 -0.04 -1.26 -2.69 135.00 137.94 4ayk n PRO 23 Ca 0.04 0.43 -0.02 0.00 -0.04 0.00 0.00 63.50 63.90 4ayk n PRO 23 Cb 0.46 -1.58 0.11 0.00 -0.04 0.00 0.00 33.50 32.45 4ayk n PRO 23 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 4ayk h ASP 24 N 0.00 1.15 -4.96 3.54 3.32 -1.94 -3.43 116.42 114.10 4ayk h ASP 24 Ca 0.00 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.83 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 0.84 -0.70 -0.76 -1.72 0.00 0.00 179.24 176.90 4ayk s LEU 25 N -10.10 2.24 0.00 1.55 1.43 -1.09 -4.97 118.68 107.74 4ayk s LEU 25 Ca -0.13 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 4ayk s LEU 25 Cb 0.18 0.07 0.18 0.00 0.03 0.00 0.00 46.19 46.65 4ayk s LEU 25 CO 0.82 -0.29 0.42 -0.81 0.23 0.00 0.00 176.35 176.72 4ayk n PRO 26 N 1.57 -3.36 0.01 1.29 -0.04 -1.26 -4.53 135.00 128.67 4ayk n PRO 26 Ca -0.24 -0.71 -0.18 0.00 -0.04 0.00 0.00 63.50 62.33 4ayk n PRO 26 Cb 0.55 -0.91 -0.14 0.00 -0.04 0.00 0.00 33.50 32.96 4ayk n PRO 26 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 4ayk h ARG 27 N 0.00 0.21 -0.61 0.54 0.11 -1.97 -3.14 114.38 109.51 4ayk h ARG 27 Ca -0.19 -0.35 0.01 0.00 0.10 0.00 0.00 59.98 59.54 4ayk h ARG 27 Cb 0.64 0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.82 4ayk h ARG 27 CO 0.12 1.03 0.40 0.00 0.10 0.00 0.00 179.97 181.62 4ayk h ALA 28 N 0.34 0.78 -0.21 0.08 0.00 -1.99 0.19 119.26 118.45 4ayk h ALA 28 Ca -0.37 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 4ayk h ALA 28 Cb 2.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 4ayk h ALA 28 CO 0.10 0.20 -0.56 -0.44 0.00 0.00 0.00 179.25 178.55 4ayk h ASP 29 N 0.82 0.74 -0.38 0.00 3.32 -1.95 -2.83 116.42 116.14 4ayk h ASP 29 Ca 0.23 -0.40 -0.15 0.00 0.02 0.00 0.00 57.03 56.73 4ayk h ASP 29 Cb -0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 4ayk h ASP 29 CO -0.05 1.14 -0.36 0.58 -1.72 0.00 0.00 179.24 178.83 4ayk h VAL 30 N 0.50 1.28 -0.84 -1.35 2.07 -1.41 -2.31 116.25 114.19 4ayk h VAL 30 Ca 0.01 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.00 4ayk h VAL 30 Cb 1.13 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 4ayk h VAL 30 CO 0.11 0.51 0.56 0.44 0.02 0.00 0.00 177.57 179.21 4ayk h ASP 31 N 0.72 0.96 -0.46 0.57 3.32 -0.62 -0.63 116.42 120.28 4ayk h ASP 31 Ca 0.06 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 4ayk h ASP 31 Cb 0.95 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 4ayk h ASP 31 CO 0.09 0.70 0.29 -0.74 -1.72 0.00 0.00 179.24 177.86 4ayk h HIS 32 N 1.14 0.60 -0.51 4.55 2.76 -1.33 0.96 115.15 123.32 4ayk h HIS 32 Ca 0.31 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.49 4ayk h HIS 32 Cb -0.13 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.60 4ayk h HIS 32 CO -0.01 0.40 0.33 0.00 -1.30 0.00 0.00 177.93 177.35 4ayk h ALA 33 N 1.15 0.65 -0.19 5.26 0.00 -0.79 1.27 119.26 126.62 4ayk h ALA 33 Ca 0.17 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 4ayk h ALA 33 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.56 4ayk h ALA 33 CO -0.03 0.08 -0.55 0.82 0.00 0.00 0.00 179.25 179.57 4ayk h ILE 34 N 0.68 1.31 -0.37 0.00 1.08 -0.66 -2.79 117.51 116.76 4ayk h ILE 34 Ca 0.19 -1.78 -0.16 0.00 -0.39 0.00 0.00 64.86 62.72 4ayk h ILE 34 Cb -0.06 1.91 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 4ayk h ILE 34 CO -0.05 0.56 -0.41 -0.08 -0.69 0.00 0.00 178.15 177.48 4ayk h GLU 35 N 0.40 0.91 -0.94 2.37 4.81 0.13 -2.91 114.58 119.36 4ayk h GLU 35 Ca -0.02 -0.49 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 4ayk h GLU 35 Cb 1.17 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 4ayk h GLU 35 CO 0.12 1.14 0.62 -0.22 -0.73 0.00 0.00 179.01 179.94 4ayk h LYS 36 N 0.74 1.24 -0.44 1.92 3.64 0.16 -1.37 116.57 122.45 4ayk h LYS 36 Ca 0.05 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 4ayk h LYS 36 Cb 1.00 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 4ayk h LYS 36 CO 0.10 0.82 0.16 0.00 -2.27 0.00 0.00 179.45 178.25 4ayk h ALA 37 N 1.41 0.58 -0.93 5.00 0.00 -1.37 -2.42 119.26 121.54 4ayk h ALA 37 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 4ayk h ALA 37 Cb -0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 4ayk h ALA 37 CO -0.07 0.20 0.55 0.74 0.00 0.00 0.00 179.25 180.67 4ayk h PHE 38 N 0.57 1.23 -1.00 0.00 0.04 -1.23 -2.14 116.94 114.41 4ayk h PHE 38 Ca 0.14 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.92 4ayk h PHE 38 Cb 0.23 -0.40 -0.05 0.00 2.20 0.00 0.00 35.95 37.93 4ayk h PHE 38 CO 0.01 0.82 0.66 1.96 -0.60 0.00 0.00 178.31 181.16 4ayk h GLN 39 N 1.28 1.30 -0.79 1.51 4.20 -0.88 0.79 115.11 122.53 4ayk h GLN 39 Ca 0.33 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.97 4ayk h GLN 39 Cb -0.05 -0.29 -0.04 0.00 0.30 0.00 0.00 27.48 27.40 4ayk h GLN 39 CO -0.06 0.86 0.52 -0.07 -0.67 0.00 0.00 178.83 179.41 4ayk h LEU 40 N 1.34 0.91 -0.20 1.46 3.38 -0.92 0.63 115.31 121.91 4ayk h LEU 40 Ca 0.37 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 4ayk h LEU 40 Cb -0.14 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.38 4ayk h LEU 40 CO -0.08 0.66 -0.39 -0.50 0.09 0.00 0.00 178.44 178.21 4ayk h TRP 41 N 1.07 0.79 0.00 1.13 4.06 -1.15 -3.04 115.95 118.80 4ayk h TRP 41 Ca 0.29 -0.28 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 4ayk h TRP 41 Cb -0.12 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 27.89 4ayk h TRP 41 CO -0.02 1.04 -0.26 1.03 -3.56 0.00 0.00 178.44 176.68 4ayk h SER 42 N 0.31 0.00 -0.95 -3.49 0.87 -0.48 -2.53 113.55 107.28 4ayk h SER 42 Ca 0.01 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 4ayk h SER 42 Cb 0.99 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.91 4ayk h SER 42 CO 0.09 0.26 0.62 0.78 -0.53 0.00 0.00 176.83 178.05 4ayk h ASN 43 N 0.00 1.10 -0.39 6.23 2.35 0.38 -2.92 115.58 122.33 4ayk h ASN 43 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 4ayk h ASN 43 Cb 0.69 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.79 4ayk h ASN 43 CO 0.03 0.80 0.00 1.33 -1.65 0.00 0.00 177.43 177.95 4ayk n VAL 44 N -4.38 1.12 -3.91 2.81 0.24 -1.17 -4.97 118.33 108.06 4ayk n VAL 44 Ca 0.11 -1.07 -0.11 0.00 -2.04 0.00 0.00 64.34 61.23 4ayk n VAL 44 Cb 0.02 0.43 -0.13 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.16 0.04 -1.65 3.34 -4.23 -0.96 -3.64 115.64 107.38 4ayk s THR 45 Ca 0.28 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 4ayk s THR 45 Cb 0.16 -0.10 0.00 0.00 1.34 0.00 0.00 72.50 73.90 4ayk s THR 45 CO 0.17 -0.16 0.47 -0.81 -0.54 0.00 0.00 174.62 173.75 4ayk n PRO 46 N 2.59 0.57 -1.43 3.99 -0.04 -1.26 -4.51 135.00 134.91 4ayk n PRO 46 Ca -0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 4ayk n PRO 46 Cb 0.58 -1.10 0.07 0.00 -0.04 0.00 0.00 33.50 33.02 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 -0.65 3.02 0.03 1.53 1.43 -1.26 -4.97 118.68 117.80 4ayk s LEU 47 Ca 0.00 1.67 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 4ayk s LEU 47 Cb 0.00 -4.44 -0.02 0.00 0.03 0.00 0.00 46.19 41.76 4ayk s LEU 47 CO 0.00 -1.77 -0.06 0.42 0.23 0.00 0.00 176.35 175.17 4ayk s THR 48 N -2.99 0.40 0.11 5.49 -4.23 -0.83 -4.73 115.64 108.86 4ayk s THR 48 Ca 0.60 -0.96 0.05 0.00 -1.18 0.00 0.00 61.69 60.20 4ayk s THR 48 Cb -0.15 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 4ayk s THR 48 CO 0.55 -0.38 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.77 4ayk s PHE 49 N -1.30 1.30 -0.19 3.99 0.08 -1.26 -1.75 117.98 118.85 4ayk s PHE 49 Ca -0.11 -0.57 -0.10 0.00 0.12 0.00 0.00 56.93 56.27 4ayk s PHE 49 Cb -0.09 -0.69 0.06 0.00 -0.57 0.00 0.00 43.02 41.73 4ayk s PHE 49 CO -0.00 0.10 0.46 0.99 -0.10 0.00 0.00 175.22 176.67 4ayk s THR 50 N -2.11 -0.02 0.21 0.64 2.01 -0.93 -4.97 115.64 110.48 4ayk s THR 50 Ca 0.07 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 4ayk s THR 50 Cb -0.05 -0.68 -0.08 0.00 0.01 0.00 0.00 72.50 71.69 4ayk s THR 50 CO 0.02 0.03 0.87 -0.75 -0.69 0.00 0.00 174.62 174.10 4ayk s LYS 51 N 1.44 4.73 -0.04 4.92 2.20 -1.26 -2.66 119.74 129.07 4ayk s LYS 51 Ca -0.10 1.35 0.06 0.00 -0.36 0.00 0.00 55.97 56.92 4ayk s LYS 51 Cb -0.08 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 4ayk s LYS 51 CO -0.14 0.54 -0.20 0.14 -0.36 0.00 0.00 175.35 175.32 4ayk s VAL 52 N -1.14 2.54 -1.73 4.02 -7.23 -1.02 -4.93 120.40 110.91 4ayk s VAL 52 Ca 0.39 -0.92 0.22 0.00 -1.81 0.00 0.00 61.98 59.86 4ayk s VAL 52 Cb -0.25 -1.95 -0.07 0.00 0.56 0.00 0.00 36.38 34.67 4ayk s VAL 52 CO 0.29 0.58 1.04 -0.24 -0.31 0.00 0.00 175.10 176.47 4ayk n SER 53 N 2.41 1.73 -3.92 4.85 2.88 -1.26 -4.68 113.62 115.63 4ayk n SER 53 Ca -0.17 -1.36 -0.09 0.00 -1.33 0.00 0.00 58.87 55.92 4ayk n SER 53 Cb 0.52 0.63 -0.09 0.00 -0.75 0.00 0.00 64.21 64.52 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 -2.63 0.67 0.00 -1.46 2.02 -1.26 -5.12 118.70 110.92 4ayk s GLU 54 Ca 0.15 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.30 4ayk s GLU 54 Cb 0.17 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.67 4ayk s GLU 54 CO 0.66 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 176.17 4ayk n GLY 55 N 0.46 -1.95 3.78 -1.39 0.00 -1.26 -4.87 105.19 99.96 4ayk n GLY 55 Ca -0.17 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 4ayk n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4ayk s GLN 56 N -2.02 4.53 0.18 1.61 -0.21 -1.26 -5.06 119.66 117.42 4ayk s GLN 56 Ca 0.00 1.11 0.04 0.00 0.02 0.00 0.00 55.36 56.53 4ayk s GLN 56 Cb 0.00 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 4ayk s GLN 56 CO 0.00 0.55 0.24 0.00 -2.12 0.00 0.00 175.29 173.96 4ayk s ALA 57 N -1.03 3.81 0.26 6.09 0.00 -1.26 -5.01 121.76 124.62 4ayk s ALA 57 Ca 0.35 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 4ayk s ALA 57 Cb -0.23 -1.61 0.30 0.00 0.00 0.00 0.00 23.12 21.58 4ayk s ALA 57 CO 0.25 0.46 1.93 -0.44 0.00 0.00 0.00 175.76 177.97 4ayk h ASP 58 N 2.02 1.11 -3.28 0.00 3.32 -1.86 -3.39 116.42 114.34 4ayk h ASP 58 Ca -0.49 -0.03 -0.67 0.00 0.02 0.00 0.00 57.03 55.86 4ayk h ASP 58 Cb 1.21 -0.28 -0.33 0.00 0.22 0.00 0.00 39.33 40.15 4ayk h ASP 58 CO 0.65 0.81 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.55 4ayk s ILE 59 N -6.06 2.57 -0.17 0.35 1.01 -0.71 -4.69 121.20 113.50 4ayk s ILE 59 Ca -0.13 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 4ayk s ILE 59 Cb 0.18 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 4ayk s ILE 59 CO 0.81 0.42 0.13 -0.04 0.00 0.00 0.00 174.94 176.26 4ayk s MET 60 N 1.34 3.88 -0.09 2.79 -1.94 -1.25 -2.19 119.30 121.84 4ayk s MET 60 Ca 0.04 -0.20 0.04 0.00 -1.71 0.00 0.00 55.69 53.86 4ayk s MET 60 Cb -0.14 -3.31 -0.00 0.00 2.01 0.00 0.00 34.83 33.38 4ayk s MET 60 CO -0.08 0.48 -0.24 0.42 -0.01 0.00 0.00 175.02 175.58 4ayk s ILE 61 N -0.16 2.05 0.21 2.53 1.01 -0.91 -1.21 121.20 124.71 4ayk s ILE 61 Ca 0.10 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 4ayk s ILE 61 Cb -0.11 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 4ayk s ILE 61 CO 0.00 0.56 0.39 -0.94 0.00 0.00 0.00 174.94 174.95 4ayk s SER 62 N 0.27 -0.04 -0.06 3.58 1.04 -1.04 -1.09 113.70 116.35 4ayk s SER 62 Ca -0.17 -0.90 0.04 0.00 0.48 0.00 0.00 55.95 55.40 4ayk s SER 62 Cb -0.17 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 4ayk s SER 62 CO 0.08 -1.02 -0.16 -0.36 0.98 0.00 0.00 173.24 172.76 4ayk s PHE 63 N -4.00 2.66 0.16 5.02 0.40 -1.26 -2.08 117.98 118.88 4ayk s PHE 63 Ca 0.21 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 4ayk s PHE 63 Cb 0.01 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 4ayk s PHE 63 CO 0.05 0.05 -0.11 0.14 0.70 0.00 0.00 175.22 176.05 4ayk s VAL 64 N -0.46 1.27 -0.04 -0.44 -7.23 -1.03 -4.91 120.40 107.55 4ayk s VAL 64 Ca 0.06 -2.08 0.05 0.00 -1.81 0.00 0.00 61.98 58.20 4ayk s VAL 64 Cb -0.12 -1.87 -0.00 0.00 0.56 0.00 0.00 36.38 34.95 4ayk s VAL 64 CO 0.02 -0.71 -0.18 -0.13 -0.31 0.00 0.00 175.10 173.78 4ayk s ARG 65 N -3.70 1.87 0.84 4.82 0.52 -1.26 -1.61 118.95 120.43 4ayk s ARG 65 Ca 0.17 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 4ayk s ARG 65 Cb 0.02 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.87 4ayk s ARG 65 CO 0.02 0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.01 4ayk n GLY 66 N 3.12 2.59 3.71 -3.53 0.00 -1.26 -4.19 105.19 105.62 4ayk n GLY 66 Ca -0.18 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 7.31 -0.35 1.61 -1.08 -1.26 -3.13 116.67 115.77 4ayk s ASP 67 Ca 0.00 1.58 0.15 0.00 -0.52 0.00 0.00 52.55 53.76 4ayk s ASP 67 Cb 0.00 -2.55 0.44 0.00 -1.46 0.00 0.00 42.92 39.36 4ayk s ASP 67 CO 0.00 -0.24 0.95 0.00 0.52 0.00 0.00 175.17 176.40 4ayk n HIS 68 N 3.92 1.47 -3.41 -5.34 1.44 -1.26 -4.96 115.22 107.09 4ayk n HIS 68 Ca 0.05 -2.97 -0.18 0.00 -2.01 0.00 0.00 57.72 52.61 4ayk n HIS 68 Cb 0.51 -0.34 0.07 0.00 0.12 0.00 0.00 29.99 30.35 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 -0.10 -4.14 -4.18 -1.40 1.74 -1.26 -5.02 116.66 102.30 4ayk n ARG 69 Ca 0.16 0.80 -0.12 0.00 -0.77 0.00 0.00 57.85 57.92 4ayk n ARG 69 Cb 0.77 -5.63 -0.10 0.00 -1.02 0.00 0.00 32.46 26.49 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 -3.88 0.16 0.00 0.55 -4.77 -1.26 -5.03 116.67 102.44 4ayk s ASP 70 Ca 0.23 -1.36 0.14 0.00 -3.30 0.00 0.00 52.55 48.26 4ayk s ASP 70 Cb -0.04 0.40 0.41 0.00 -1.09 0.00 0.00 42.92 42.60 4ayk s ASP 70 CO 0.76 -0.87 1.34 -0.46 0.70 0.00 0.00 175.17 176.63 4ayk n ASN 71 N -0.31 2.36 -3.28 2.11 6.94 -1.26 -4.46 115.26 117.37 4ayk n ASN 71 Ca 0.02 -1.99 -0.25 0.00 -0.02 0.00 0.00 54.58 52.34 4ayk n ASN 71 Cb 0.66 -0.29 -0.08 0.00 -2.36 0.00 0.00 39.78 37.71 4ayk n ASN 71 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 4ayk n SER 72 N 0.79 -0.24 -4.76 0.53 2.88 -1.26 -5.12 113.62 106.44 4ayk n SER 72 Ca 0.15 -2.55 -0.41 0.00 -1.33 0.00 0.00 58.87 54.74 4ayk n SER 72 Cb 0.38 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 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 -0.53 4.51 0.43 -1.46 0.05 -1.26 -4.97 135.00 131.76 4ayk s PRO 73 Ca 0.34 1.97 -0.22 0.00 0.05 0.00 0.00 61.00 63.14 4ayk s PRO 73 Cb 0.11 -3.15 -0.09 0.00 0.05 0.00 0.00 34.50 31.41 4ayk s PRO 73 CO -0.15 0.01 1.01 -0.06 0.05 0.00 0.00 177.00 177.86 4ayk s PHE 74 N -0.95 3.23 -0.50 0.56 0.40 -1.18 -4.93 117.98 114.60 4ayk s PHE 74 Ca 0.48 1.63 0.05 0.00 -0.60 0.00 0.00 56.93 58.49 4ayk s PHE 74 Cb -0.35 -3.02 0.19 0.00 0.51 0.00 0.00 43.02 40.35 4ayk s PHE 74 CO 0.44 -0.49 0.45 -3.47 0.70 0.00 0.00 175.22 172.86 4ayk n ASP 75 N -0.44 0.89 0.00 1.36 -0.08 -1.26 -4.53 116.55 112.48 4ayk n ASP 75 Ca 0.07 -2.74 0.00 0.00 -1.51 0.00 0.00 54.79 50.61 4ayk n ASP 75 Cb 0.52 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.35 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 2.17 -0.23 0.25 0.27 0.00 -1.26 -4.52 105.19 101.87 4ayk n GLY 76 Ca 0.26 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.97 -3.44 132.00 128.32 4ayk h PRO 77 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 4ayk h PRO 77 Cb 0.00 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.24 4ayk h PRO 77 CO 0.00 0.13 0.23 0.41 -0.23 0.00 0.00 178.00 178.55 4ayk n GLY 78 N -0.16 -0.62 5.03 1.56 0.00 -1.26 -4.92 105.19 104.82 4ayk n GLY 78 Ca -0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.43 -0.75 3.77 -0.02 0.00 -1.26 -4.68 105.19 100.83 4ayk n GLY 79 Ca 0.13 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 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 6.88 0.07 1.61 0.02 -1.26 -4.96 114.94 113.30 4ayk s ASN 80 Ca 0.00 2.13 0.22 0.00 -1.02 0.00 0.00 52.86 54.19 4ayk s ASN 80 Cb 0.00 -2.60 -0.20 0.00 0.02 0.00 0.00 41.25 38.47 4ayk s ASN 80 CO 0.00 -0.41 0.72 0.18 0.02 0.00 0.00 177.10 177.61 4ayk n LEU 81 N 0.30 0.36 -3.69 0.60 4.77 -1.26 -4.94 117.00 113.14 4ayk n LEU 81 Ca 0.03 0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 56.14 4ayk n LEU 81 Cb 0.48 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 4ayk n LEU 81 CO 0.48 -0.08 0.94 0.00 -1.33 0.00 0.00 177.39 177.41 4ayk s ALA 82 N -3.45 -2.03 0.35 -1.18 0.00 -1.26 -2.02 121.76 112.16 4ayk s ALA 82 Ca -0.05 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 4ayk s ALA 82 Cb 0.12 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.79 4ayk s ALA 82 CO 0.86 -1.06 0.84 -3.38 0.00 0.00 0.00 175.76 173.02 4ayk s HIS 83 N -2.68 0.13 0.20 0.00 -3.43 -1.10 -5.01 115.29 103.39 4ayk s HIS 83 Ca 0.14 -0.76 -0.23 0.00 -0.80 0.00 0.00 55.06 53.41 4ayk s HIS 83 Cb 0.02 0.82 0.05 0.00 -1.43 0.00 0.00 32.58 32.04 4ayk s HIS 83 CO -0.01 -1.47 0.86 0.00 -2.00 0.00 0.00 174.74 172.12 4ayk s ALA 84 N -2.20 -1.48 0.15 -1.38 0.00 -1.26 -1.99 121.76 113.60 4ayk s ALA 84 Ca 0.17 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.12 4ayk s ALA 84 Cb -0.05 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 4ayk s ALA 84 CO 0.10 -1.04 0.16 -0.06 0.00 0.00 0.00 175.76 174.92 4ayk s PHE 85 N -3.54 3.21 0.66 0.00 0.08 -0.98 -5.02 117.98 112.40 4ayk s PHE 85 Ca 0.12 0.01 -0.18 0.00 0.12 0.00 0.00 56.93 57.01 4ayk s PHE 85 Cb -0.03 -1.55 -0.00 0.00 -0.57 0.00 0.00 43.02 40.87 4ayk s PHE 85 CO 0.04 0.52 1.29 -0.65 -0.10 0.00 0.00 175.22 176.32 4ayk s GLN 86 N -3.06 2.45 -0.51 0.44 -0.21 -1.26 -3.15 119.66 114.35 4ayk s GLN 86 Ca 0.31 2.05 -0.28 0.00 0.02 0.00 0.00 55.36 57.47 4ayk s GLN 86 Cb -0.10 -1.83 -0.09 0.00 1.00 0.00 0.00 33.01 31.98 4ayk s GLN 86 CO 0.24 -1.67 2.42 -0.35 -2.12 0.00 0.00 175.29 173.80 4ayk n PRO 87 N -2.04 1.02 -3.94 2.91 -0.04 -1.26 -2.11 135.00 129.54 4ayk n PRO 87 Ca 0.16 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.62 4ayk n PRO 87 Cb 0.48 -3.07 -0.03 0.00 -0.04 0.00 0.00 33.50 30.83 4ayk n PRO 87 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 4ayk s GLY 88 N 10.91 0.36 1.05 0.55 0.00 -1.26 -4.82 107.32 114.11 4ayk s GLY 88 Ca 1.05 -0.70 -0.13 0.00 0.00 0.00 0.00 44.72 44.94 4ayk s GLY 88 CO 0.32 -0.43 1.08 2.56 0.00 0.00 0.00 173.10 176.63 4ayk s PRO 89 N -3.78 0.02 7.71 2.90 0.04 -1.26 -3.14 135.00 137.49 4ayk s PRO 89 Ca 0.18 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.78 4ayk s PRO 89 Cb -0.03 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.83 4ayk s PRO 89 CO 0.09 -3.02 0.00 0.41 0.04 0.00 0.00 177.00 174.52 4ayk n GLY 90 N -0.64 3.02 0.07 0.56 0.00 -1.26 -2.01 105.19 104.93 4ayk n GLY 90 Ca 0.04 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.50 -1.72 -0.61 3.06 -1.26 -4.83 119.36 114.49 4ayk n ILE 91 Ca 0.00 -0.09 -0.42 0.00 -2.50 0.00 0.00 62.75 59.74 4ayk n ILE 91 Cb 0.00 -0.68 -0.00 0.00 0.54 0.00 0.00 39.64 39.50 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 1.07 0.75 2.12 4.50 0.00 -0.85 -1.41 105.19 111.38 4ayk n GLY 92 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.69 2.80 3.74 -0.02 0.00 -0.90 -4.09 105.19 107.40 4ayk n GLY 93 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.59 4.14 -0.17 1.61 1.11 -0.50 -3.76 116.67 117.50 4ayk s ASP 94 Ca 0.00 2.03 -0.06 0.00 0.18 0.00 0.00 52.55 54.70 4ayk s ASP 94 Cb 0.00 -2.55 0.08 0.00 1.07 0.00 0.00 42.92 41.52 4ayk s ASP 94 CO 0.00 -2.29 0.34 0.00 1.18 0.00 0.00 175.17 174.40 4ayk s ALA 95 N -2.61 -0.85 -0.01 5.23 0.00 -0.35 -2.32 121.76 120.85 4ayk s ALA 95 Ca 0.65 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.76 4ayk s ALA 95 Cb -0.21 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 4ayk s ALA 95 CO 0.53 -0.75 0.15 -1.01 0.00 0.00 0.00 175.76 174.67 4ayk s HIS 96 N 2.51 3.47 -0.05 0.00 3.76 -0.84 -2.51 115.29 121.64 4ayk s HIS 96 Ca 0.01 0.31 0.05 0.00 -0.15 0.00 0.00 55.06 55.28 4ayk s HIS 96 Cb -0.12 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.74 4ayk s HIS 96 CO -0.11 0.62 -0.18 -0.06 -0.85 0.00 0.00 174.74 174.16 4ayk s PHE 97 N -1.28 2.59 -0.07 1.40 0.40 -0.88 -2.72 117.98 117.41 4ayk s PHE 97 Ca 0.26 -0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 55.99 4ayk s PHE 97 Cb -0.12 -1.60 -0.06 0.00 0.51 0.00 0.00 43.02 41.75 4ayk s PHE 97 CO 0.17 0.07 1.73 0.34 0.70 0.00 0.00 175.22 178.23 4ayk s ASP 98 N -0.60 6.53 0.00 1.36 -1.08 -0.86 -2.47 116.67 119.55 4ayk s ASP 98 Ca 0.09 2.21 0.25 0.00 -0.52 0.00 0.00 52.55 54.57 4ayk s ASP 98 Cb -0.11 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.19 4ayk s ASP 98 CO 0.01 -1.05 1.35 1.21 0.52 0.00 0.00 175.17 177.21 4ayk n GLU 99 N 7.36 1.93 0.25 4.34 2.13 -0.63 -4.12 120.64 131.90 4ayk n GLU 99 Ca 0.19 -1.50 0.15 0.00 0.66 0.00 0.00 57.16 56.65 4ayk n GLU 99 Cb 0.43 -1.47 0.42 0.00 0.27 0.00 0.00 31.44 31.09 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 3.67 0.00 -2.25 4.31 3.32 -1.88 -3.44 116.42 120.14 4ayk h ASP 100 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 4ayk h ASP 100 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 4ayk h ASP 100 CO 0.00 0.00 -0.31 -1.61 -1.72 0.00 0.00 179.24 175.60 4ayk s GLU 101 N -3.43 3.29 -0.23 3.56 2.02 -1.26 -4.94 118.70 117.71 4ayk s GLU 101 Ca 0.04 -0.73 -0.22 0.00 0.02 0.00 0.00 54.97 54.08 4ayk s GLU 101 Cb 0.07 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 4ayk s GLU 101 CO 0.61 0.16 0.70 0.50 0.02 0.00 0.00 175.26 177.25 4ayk s ARG 102 N -4.18 4.18 -0.00 1.61 3.52 -1.26 -5.04 118.95 117.77 4ayk s ARG 102 Ca 0.41 0.72 -0.20 0.00 -0.13 0.00 0.00 55.73 56.53 4ayk s ARG 102 Cb -0.09 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 4ayk s ARG 102 CO 0.32 -0.38 0.58 -1.58 -0.81 0.00 0.00 175.30 173.43 4ayk s TRP 103 N 2.40 3.69 0.32 5.12 0.52 -1.26 -4.55 118.94 125.17 4ayk s TRP 103 Ca 0.30 1.19 0.03 0.00 0.02 0.00 0.00 56.10 57.65 4ayk s TRP 103 Cb -0.16 -2.59 -0.06 0.00 -1.15 0.00 0.00 33.47 29.52 4ayk s TRP 103 CO 0.09 0.38 0.06 0.95 0.02 0.00 0.00 176.95 178.45 4ayk s THR 104 N -0.28 1.12 -0.20 2.01 -4.23 -1.11 -4.79 115.64 108.15 4ayk s THR 104 Ca 0.30 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.94 4ayk s THR 104 Cb -0.18 -2.78 0.40 0.00 1.34 0.00 0.00 72.50 71.29 4ayk s THR 104 CO 0.17 0.00 1.24 0.59 -0.54 0.00 0.00 174.62 176.08 4ayk n ASN 105 N -0.67 2.05 -0.70 3.99 5.03 -1.26 -1.91 115.26 121.79 4ayk n ASN 105 Ca -0.02 -3.66 0.00 0.00 0.87 0.00 0.00 54.58 51.77 4ayk n ASN 105 Cb 0.67 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 4ayk n ASN 105 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 4ayk n ASN 106 N -1.18 0.00 -0.02 6.41 2.04 -1.26 -4.98 115.26 116.27 4ayk n ASN 106 Ca 0.20 -0.70 0.00 0.00 -0.44 0.00 0.00 54.58 53.64 4ayk n ASN 106 Cb 0.73 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.98 4ayk n ASN 106 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 4ayk n PHE 107 N 0.00 0.00 -1.63 -2.53 1.16 -1.26 -4.58 117.46 108.61 4ayk n PHE 107 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.28 4ayk n PHE 107 Cb 0.00 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 37.96 4ayk n PHE 107 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 4ayk s ARG 108 N -1.96 2.00 0.00 3.97 0.52 -1.26 -4.87 118.95 117.34 4ayk s ARG 108 Ca 0.00 0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 4ayk s ARG 108 Cb 0.00 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.55 4ayk s ARG 108 CO 0.00 -1.65 0.00 0.39 0.02 0.00 0.00 175.30 174.06 4ayk n GLU 109 N -3.43 0.00 -4.16 3.54 4.71 -1.26 -4.33 120.64 115.71 4ayk n GLU 109 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.05 4ayk n GLU 109 Cb 0.57 0.00 -0.12 0.00 -1.01 0.00 0.00 31.44 30.89 4ayk n GLU 109 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 4ayk s TYR 110 N -0.40 1.12 -0.28 -0.32 2.02 -1.26 -5.09 117.35 113.15 4ayk s TYR 110 Ca 0.00 -0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.09 4ayk s TYR 110 Cb 0.00 -0.63 -0.05 0.00 -0.40 0.00 0.00 41.96 40.88 4ayk s TYR 110 CO 0.00 0.03 0.22 -0.80 -1.57 0.00 0.00 175.55 173.43 4ayk s ASN 111 N -1.85 6.05 0.19 2.29 0.01 -1.26 -2.77 114.94 117.60 4ayk s ASN 111 Ca -0.02 0.03 -0.09 0.00 -0.71 0.00 0.00 52.86 52.08 4ayk s ASN 111 Cb -0.09 -2.13 0.09 0.00 0.41 0.00 0.00 41.25 39.53 4ayk s ASN 111 CO 0.02 -0.07 1.68 0.25 -1.51 0.00 0.00 177.10 177.47 4ayk h LEU 112 N 8.40 1.07 -1.01 0.60 5.85 -1.76 -2.93 115.31 125.54 4ayk h LEU 112 Ca -0.34 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.12 4ayk h LEU 112 Cb 1.19 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 4ayk h LEU 112 CO 0.56 1.06 0.67 -0.74 -0.34 0.00 0.00 178.44 179.66 4ayk h HIS 113 N 1.03 1.26 -0.79 1.25 2.76 -1.89 -0.83 115.15 117.95 4ayk h HIS 113 Ca 0.20 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 4ayk h HIS 113 Cb 0.46 -0.43 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 4ayk h HIS 113 CO 0.03 0.80 0.52 -0.09 -1.30 0.00 0.00 177.93 177.89 4ayk h ARG 114 N 1.36 1.04 -0.31 5.26 2.43 -1.92 -0.62 114.38 121.62 4ayk h ARG 114 Ca 0.37 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.34 4ayk h ARG 114 Cb -0.16 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.15 4ayk h ARG 114 CO -0.08 0.69 -0.36 0.28 -1.51 0.00 0.00 179.97 178.99 4ayk h VAL 115 N 1.07 1.29 -0.87 0.20 2.07 -1.34 -2.70 116.25 115.97 4ayk h VAL 115 Ca 0.29 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.29 4ayk h VAL 115 Cb -0.12 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 4ayk h VAL 115 CO -0.06 0.50 0.57 0.00 0.02 0.00 0.00 177.57 178.60 4ayk h ALA 116 N 0.71 1.11 -0.85 1.67 0.00 -0.71 -0.69 119.26 120.49 4ayk h ALA 116 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 4ayk h ALA 116 Cb 0.94 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 4ayk h ALA 116 CO 0.09 0.49 0.50 0.00 0.00 0.00 0.00 179.25 180.33 4ayk h ALA 117 N 1.33 1.27 -0.24 0.00 0.00 -1.03 -1.28 119.26 119.30 4ayk h ALA 117 Ca 0.32 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 4ayk h ALA 117 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 4ayk h ALA 117 CO -0.08 0.61 -0.03 1.25 0.00 0.00 0.00 179.25 181.01 4ayk h HIS 118 N 1.18 0.50 -0.95 0.00 6.17 -0.94 -2.36 115.15 118.75 4ayk h HIS 118 Ca 0.31 -0.10 0.02 0.00 0.71 0.00 0.00 60.37 61.30 4ayk h HIS 118 Cb -0.03 -0.13 -0.05 0.00 2.52 0.00 0.00 27.41 29.73 4ayk h HIS 118 CO 0.01 0.65 0.63 0.93 0.71 0.00 0.00 177.93 180.85 4ayk h GLU 119 N 0.21 1.23 -0.90 5.26 5.08 -0.77 -1.31 114.58 123.37 4ayk h GLU 119 Ca 0.07 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 4ayk h GLU 119 Cb 0.47 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 4ayk h GLU 119 CO 0.02 0.81 0.52 -0.07 -1.00 0.00 0.00 179.01 179.29 4ayk h LEU 120 N 1.27 1.10 -1.12 1.33 3.38 -1.04 -1.32 115.31 118.91 4ayk h LEU 120 Ca 0.35 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.27 4ayk h LEU 120 Cb -0.12 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.31 4ayk h LEU 120 CO -0.08 0.86 0.60 1.23 0.09 0.00 0.00 178.44 181.13 4ayk h GLY 121 N 1.26 1.29 1.24 0.83 0.00 -0.72 0.10 103.07 107.08 4ayk h GLY 121 Ca 0.32 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 4ayk h GLY 121 CO -0.06 0.41 -0.20 0.45 0.00 0.00 0.00 176.54 177.14 4ayk h HIS 122 N 1.16 0.99 0.00 5.60 3.86 -0.91 0.13 115.15 125.97 4ayk h HIS 122 Ca 0.35 -0.22 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 4ayk h HIS 122 Cb -0.02 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.21 4ayk h HIS 122 CO -0.00 0.99 -0.13 0.66 0.86 0.00 0.00 177.93 180.31 4ayk h SER 123 N 0.76 0.00 0.22 2.45 4.64 -0.16 -1.73 113.55 119.73 4ayk h SER 123 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 4ayk h SER 123 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 4ayk h SER 123 CO 0.06 0.13 -0.11 0.18 -0.87 0.00 0.00 176.83 176.21 4ayk n LEU 124 N -3.31 0.77 0.00 5.97 4.77 0.23 -4.75 117.00 120.68 4ayk n LEU 124 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 4ayk n LEU 124 Cb 0.36 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 4ayk n LEU 124 CO 0.31 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 4ayk n GLY 125 N 1.24 0.63 3.71 -0.72 0.00 -0.65 -4.87 105.19 104.54 4ayk n GLY 125 Ca 0.16 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 4.40 0.67 0.99 1.43 0.39 -4.99 118.68 121.57 4ayk s LEU 126 Ca 0.00 1.70 -0.04 0.00 -1.03 0.00 0.00 54.13 54.77 4ayk s LEU 126 Cb 0.00 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.71 4ayk s LEU 126 CO 0.00 -0.21 0.95 -0.44 0.23 0.00 0.00 176.35 176.88 4ayk s SER 127 N 0.74 4.82 0.82 2.29 0.01 -1.26 -4.24 113.70 116.88 4ayk s SER 127 Ca 0.51 0.19 -0.10 0.00 1.31 0.00 0.00 55.95 57.86 4ayk s SER 127 Cb -0.22 -0.85 0.09 0.00 0.21 0.00 0.00 66.02 65.24 4ayk s SER 127 CO 0.29 -1.54 1.11 -1.00 0.41 0.00 0.00 173.24 172.50 4ayk s HIS 128 N -3.11 2.27 0.34 2.43 0.09 -1.26 -4.99 115.29 111.05 4ayk s HIS 128 Ca 0.61 1.63 0.06 0.00 -0.00 0.00 0.00 55.06 57.36 4ayk s HIS 128 Cb -0.10 -3.14 -0.07 0.00 -0.00 0.00 0.00 32.58 29.27 4ayk s HIS 128 CO 0.43 -2.13 -0.00 0.45 -0.00 0.00 0.00 174.74 173.49 4ayk s SER 129 N -3.16 2.99 0.00 1.40 0.15 -1.21 -5.04 113.70 108.83 4ayk s SER 129 Ca 0.63 -1.31 0.18 0.00 0.70 0.00 0.00 55.95 56.15 4ayk s SER 129 Cb -0.19 -0.21 0.27 0.00 -1.71 0.00 0.00 66.02 64.18 4ayk s SER 129 CO 0.57 -0.46 1.20 0.35 1.20 0.00 0.00 173.24 176.10 4ayk n THR 130 N -0.74 0.36 -2.86 6.45 -2.24 -1.26 -4.62 114.28 109.37 4ayk n THR 130 Ca -0.04 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 4ayk n THR 130 Cb 0.65 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.90 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 -1.32 6.89 0.53 3.42 -1.08 -1.26 -4.91 116.67 118.93 4ayk s ASP 131 Ca 0.27 1.10 0.23 0.00 -0.52 0.00 0.00 52.55 53.64 4ayk s ASP 131 Cb 0.17 -2.45 1.37 0.00 -1.46 0.00 0.00 42.92 40.54 4ayk s ASP 131 CO 0.24 -0.51 2.03 -0.29 0.52 0.00 0.00 175.17 177.16 4ayk h ILE 132 N 5.39 0.79 -0.00 4.11 2.10 -2.02 0.24 117.51 128.12 4ayk h ILE 132 Ca -0.24 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.70 4ayk h ILE 132 Cb 1.10 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 4ayk h ILE 132 CO 0.88 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.56 4ayk n GLY 133 N -1.62 -0.98 3.75 8.18 0.00 -1.26 -4.80 105.19 108.46 4ayk n GLY 133 Ca 0.07 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 3.36 0.29 4.61 0.00 0.84 -4.71 121.76 124.16 4ayk s ALA 134 Ca 0.44 0.37 0.18 0.00 0.00 0.00 0.00 51.96 52.95 4ayk s ALA 134 Cb 0.20 -3.05 0.82 0.00 0.00 0.00 0.00 23.12 21.10 4ayk s ALA 134 CO 0.34 0.10 1.82 -0.07 0.00 0.00 0.00 175.76 177.96 4ayk h LEU 135 N 5.30 0.00 -3.06 0.00 3.38 -1.87 -3.07 115.31 116.00 4ayk h LEU 135 Ca -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 4ayk h LEU 135 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 4ayk h LEU 135 CO 0.70 0.34 -0.00 0.23 0.09 0.00 0.00 178.44 179.79 4ayk n MET 136 N -3.76 0.96 -2.23 1.13 2.81 -1.26 -4.81 117.12 109.96 4ayk n MET 136 Ca -0.01 -0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.45 4ayk n MET 136 Cb 0.43 -1.04 -0.03 0.00 -0.71 0.00 0.00 33.22 31.87 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 0.11 3.27 0.03 2.03 5.04 -1.16 -3.34 117.35 123.32 4ayk s TYR 137 Ca 0.01 1.21 -0.08 0.00 -2.44 0.00 0.00 57.07 55.76 4ayk s TYR 137 Cb 0.00 -3.59 -0.03 0.00 0.35 0.00 0.00 41.96 38.69 4ayk s TYR 137 CO 0.00 -1.87 1.14 -1.35 -1.34 0.00 0.00 175.55 172.13 4ayk h PRO 138 N 5.54 -0.11 -7.61 4.97 0.11 -1.91 -3.42 132.00 129.57 4ayk h PRO 138 Ca -0.44 0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.22 4ayk h PRO 138 Cb 1.21 0.03 0.13 0.00 0.11 0.00 0.00 31.00 32.48 4ayk h PRO 138 CO 0.78 -0.08 0.35 -1.12 -0.21 0.00 0.00 178.00 177.72 4ayk s SER 139 N -3.24 3.78 -0.11 -2.05 0.01 -1.26 -5.03 113.70 105.80 4ayk s SER 139 Ca -0.04 0.28 -0.20 0.00 1.31 0.00 0.00 55.95 57.30 4ayk s SER 139 Cb 0.02 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 4ayk s SER 139 CO 0.15 -2.30 0.58 -0.47 0.41 0.00 0.00 173.24 171.61 4ayk s TYR 140 N -3.63 3.52 0.05 2.43 6.14 -1.26 -5.05 117.35 119.54 4ayk s TYR 140 Ca 0.69 1.02 -0.14 0.00 0.64 0.00 0.00 57.07 59.28 4ayk s TYR 140 Cb -0.06 -2.67 0.02 0.00 0.42 0.00 0.00 41.96 39.66 4ayk s TYR 140 CO 0.50 0.09 0.31 0.95 0.64 0.00 0.00 175.55 178.04 4ayk s THR 141 N 0.86 0.08 -0.21 4.34 -4.23 -1.26 -5.15 115.64 110.08 4ayk s THR 141 Ca 0.30 -0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 60.05 4ayk s THR 141 Cb -0.16 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 4ayk s THR 141 CO 0.13 -0.38 0.10 0.12 -0.54 0.00 0.00 174.62 174.06 4ayk s PHE 142 N -2.65 3.27 -0.29 3.99 2.19 -1.26 -5.05 117.98 118.17 4ayk s PHE 142 Ca -0.04 0.09 0.02 0.00 0.33 0.00 0.00 56.93 57.33 4ayk s PHE 142 Cb -0.00 -2.17 0.16 0.00 -1.31 0.00 0.00 43.02 39.70 4ayk s PHE 142 CO -0.04 0.08 0.41 -1.54 1.83 0.00 0.00 175.22 175.96 4ayk s SER 143 N 0.74 0.35 0.47 6.13 1.04 -1.26 -5.12 113.70 116.05 4ayk s SER 143 Ca 0.05 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.11 4ayk s SER 143 Cb -0.13 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.11 4ayk s SER 143 CO 0.02 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.50 4ayk n GLY 144 N 5.35 -1.11 3.93 7.32 0.00 -1.26 -4.85 105.19 114.57 4ayk n GLY 144 Ca 0.01 -1.17 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 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 -4.00 4.70 -0.73 1.61 1.01 -1.26 -4.98 116.67 113.02 4ayk s ASP 145 Ca 0.00 0.46 -0.25 0.00 0.71 0.00 0.00 52.55 53.47 4ayk s ASP 145 Cb 0.00 -1.06 0.05 0.00 1.01 0.00 0.00 42.92 42.92 4ayk s ASP 145 CO 0.00 -1.69 1.18 -0.69 0.21 0.00 0.00 175.17 174.19 4ayk s VAL 146 N -3.31 3.94 0.08 -1.27 1.01 -1.26 -4.97 120.40 114.62 4ayk s VAL 146 Ca 0.61 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 4ayk s VAL 146 Cb -0.10 -4.85 -0.03 0.00 0.00 0.00 0.00 36.38 31.40 4ayk s VAL 146 CO 0.45 -1.73 0.06 -1.10 0.00 0.00 0.00 175.10 172.78 4ayk s GLN 147 N 5.10 0.74 0.11 2.72 -1.52 -1.26 -5.12 119.66 120.42 4ayk s GLN 147 Ca 0.31 -1.17 -0.30 0.00 -1.95 0.00 0.00 55.36 52.25 4ayk s GLN 147 Cb -0.10 0.26 -0.07 0.00 -0.22 0.00 0.00 33.01 32.88 4ayk s GLN 147 CO 0.12 -0.19 1.21 -0.51 -0.25 0.00 0.00 175.29 175.67 4ayk s LEU 148 N -2.92 4.40 0.54 2.90 1.43 -1.26 -4.83 118.68 118.94 4ayk s LEU 148 Ca 0.09 2.11 -0.02 0.00 -1.03 0.00 0.00 54.13 55.28 4ayk s LEU 148 Cb 0.07 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.72 4ayk s LEU 148 CO -0.08 -0.44 0.80 0.00 0.23 0.00 0.00 176.35 176.86 4ayk s ALA 149 N 0.68 3.58 0.23 4.21 0.00 -1.26 -4.86 121.76 124.35 4ayk s ALA 149 Ca 0.57 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 4ayk s ALA 149 Cb -0.31 -2.32 0.21 0.00 0.00 0.00 0.00 23.12 20.71 4ayk s ALA 149 CO 0.32 -0.70 1.91 0.37 0.00 0.00 0.00 175.76 177.66 4ayk h GLN 150 N 0.04 1.17 -0.98 0.00 4.15 -1.95 0.18 115.11 117.71 4ayk h GLN 150 Ca -0.45 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 58.95 4ayk h GLN 150 Cb 1.27 -0.26 -0.06 0.00 0.21 0.00 0.00 27.48 28.64 4ayk h GLN 150 CO 0.57 0.78 0.64 0.22 -1.93 0.00 0.00 178.83 179.11 4ayk h ASP 151 N 1.21 1.06 -0.08 -0.69 1.82 -1.97 0.22 116.42 117.99 4ayk h ASP 151 Ca 0.33 -0.01 -0.17 0.00 -0.39 0.00 0.00 57.03 56.79 4ayk h ASP 151 Cb -0.14 -0.24 0.01 0.00 0.68 0.00 0.00 39.33 39.65 4ayk h ASP 151 CO -0.07 0.71 -0.63 0.44 -1.61 0.00 0.00 179.24 178.08 4ayk h ASP 152 N 1.22 0.68 0.14 2.28 3.32 -1.59 -1.99 116.42 120.48 4ayk h ASP 152 Ca 0.40 -0.68 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 4ayk h ASP 152 Cb 0.05 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.39 4ayk h ASP 152 CO -0.13 1.26 -0.07 0.40 -1.72 0.00 0.00 179.24 178.98 4ayk h ILE 153 N 0.16 0.95 -0.91 0.35 2.04 -0.14 -1.73 117.51 118.23 4ayk h ILE 153 Ca -0.06 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 4ayk h ILE 153 Cb 1.29 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 4ayk h ILE 153 CO 0.13 0.08 0.51 0.44 0.00 0.00 0.00 178.15 179.31 4ayk h ASP 154 N -0.34 1.12 0.22 1.72 3.32 -0.67 -0.13 116.42 121.67 4ayk h ASP 154 Ca -0.02 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 4ayk h ASP 154 Cb 0.27 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.54 4ayk h ASP 154 CO 0.03 0.89 -0.10 1.23 -1.72 0.00 0.00 179.24 179.56 4ayk h GLY 155 N 1.27 -0.31 1.35 2.75 0.00 -1.18 0.21 103.07 107.16 4ayk h GLY 155 Ca 0.32 0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.61 4ayk h GLY 155 CO -0.05 -0.11 -0.45 1.19 0.00 0.00 0.00 176.54 177.12 4ayk h ILE 156 N -0.41 1.29 -0.49 2.60 6.09 -1.24 -2.76 117.51 122.59 4ayk h ILE 156 Ca -0.03 -1.64 -0.11 0.00 -1.37 0.00 0.00 64.86 61.70 4ayk h ILE 156 Cb 0.32 1.56 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 4ayk h ILE 156 CO 0.05 0.53 -0.14 1.56 -3.07 0.00 0.00 178.15 177.08 4ayk h GLN 157 N 0.56 0.97 -0.98 2.19 4.20 -0.95 -2.61 115.11 118.50 4ayk h GLN 157 Ca 0.04 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.37 4ayk h GLN 157 Cb 1.00 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 4ayk h GLN 157 CO 0.09 1.05 0.62 0.00 -0.67 0.00 0.00 178.83 179.93 4ayk h ALA 158 N 0.89 1.24 0.09 3.87 0.00 -0.50 1.53 119.26 126.38 4ayk h ALA 158 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 4ayk h ALA 158 Cb 0.71 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.10 4ayk h ALA 158 CO 0.05 0.66 -0.04 0.82 0.00 0.00 0.00 179.25 180.74 4ayk h ILE 159 N 1.34 0.99 0.00 0.00 2.04 -1.26 -3.40 117.51 117.21 4ayk h ILE 159 Ca 0.36 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.94 4ayk h ILE 159 Cb -0.12 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 4ayk h ILE 159 CO -0.07 0.07 -0.20 -1.22 0.00 0.00 0.00 178.15 176.72 4ayk n TYR 160 N -5.09 0.03 -3.81 1.37 4.02 -1.00 -5.13 117.16 107.55 4ayk n TYR 160 Ca -0.08 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 4ayk n TYR 160 Cb 0.13 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 4ayk n TYR 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 4ayk n GLY 161 N 1.53 -1.30 3.84 2.72 0.00 0.52 -5.04 105.19 107.46 4ayk n GLY 161 Ca -0.03 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.61 3.77 -1.03 1.61 0.52 -1.26 -4.36 118.95 116.58 4ayk s ARG 162 Ca 0.00 0.13 -0.23 0.00 -0.52 0.00 0.00 55.73 55.11 4ayk s ARG 162 Cb 0.00 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 4ayk s ARG 162 CO 0.00 0.66 1.79 -1.12 0.02 0.00 0.00 175.30 176.65 4ayk s SER 163 N -0.83 5.68 -0.59 0.23 0.01 -1.24 -4.91 113.70 112.06 4ayk s SER 163 Ca 0.19 -1.28 -0.22 0.00 1.31 0.00 0.00 55.95 55.95 4ayk s SER 163 Cb -0.14 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.58 4ayk s SER 163 CO 0.08 -2.29 0.87 -1.10 0.41 0.00 0.00 173.24 171.21 4ayk s GLN 164 N 6.04 3.18 -0.27 12.44 -0.21 -1.26 -4.99 119.66 134.59 4ayk s GLN 164 Ca 0.61 -0.70 -0.22 0.00 0.02 0.00 0.00 55.36 55.07 4ayk s GLN 164 Cb -0.03 -4.15 0.07 0.00 1.00 0.00 0.00 33.01 29.90 4ayk s GLN 164 CO 0.00 -1.58 0.70 -0.80 -2.12 0.00 0.00 175.29 171.49 4ayk s ASN 165 N 3.22 -0.77 0.18 5.90 -0.87 -1.26 -5.04 114.94 116.29 4ayk s ASN 165 Ca 0.22 1.43 0.08 0.00 -1.57 0.00 0.00 52.86 53.03 4ayk s ASN 165 Cb -0.17 1.42 0.00 0.00 -0.02 0.00 0.00 41.25 42.48 4ayk s ASN 165 CO 0.13 -0.24 1.40 1.55 -2.57 0.00 0.00 177.10 177.37 4ayk h PRO 166 N 5.46 0.00 -5.48 -0.60 0.13 -2.06 -3.43 132.00 126.02 4ayk h PRO 166 Ca -0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 4ayk h PRO 166 Cb 1.18 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 4ayk h PRO 166 CO 0.08 0.86 -0.33 0.14 -0.23 0.00 0.00 178.00 178.52 4ayk s VAL 167 N -3.05 5.31 0.53 1.56 -7.23 -1.26 -5.06 120.40 111.20 4ayk s VAL 167 Ca 0.00 0.53 -0.21 0.00 -1.81 0.00 0.00 61.98 60.50 4ayk s VAL 167 Cb 0.11 -3.63 -0.06 0.00 0.56 0.00 0.00 36.38 33.37 4ayk s VAL 167 CO 0.80 0.39 1.19 -1.10 -0.31 0.00 0.00 175.10 176.07 4ayk s GLN 168 N 0.47 3.36 0.00 4.82 -0.21 -1.26 -5.15 119.66 121.70 4ayk s GLN 168 Ca 0.16 1.80 0.04 0.00 0.02 0.00 0.00 55.36 57.38 4ayk s GLN 168 Cb -0.13 -2.15 0.21 0.00 1.00 0.00 0.00 33.01 31.94 4ayk s GLN 168 CO 0.04 -0.89 0.69 -0.35 -2.12 0.00 0.00 175.29 172.66