#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yai s LEU 3 N 0.00 0.39 -0.12 -2.67 2.96 0.25 -4.97 118.68 114.51 1yai s LEU 3 Ca 0.00 0.68 -0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1yai s LEU 3 Cb 0.00 1.05 -0.03 0.00 0.50 0.00 0.00 46.19 47.71 1yai s LEU 3 CO 0.00 -0.15 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.92 1yai s THR 4 N 0.92 3.72 -0.11 3.68 2.01 -1.26 0.55 115.64 125.14 1yai s THR 4 Ca -0.06 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1yai s THR 4 Cb -0.07 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.87 1yai s THR 4 CO -0.07 0.53 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.51 1yai s VAL 5 N -0.03 1.85 0.04 3.82 1.01 -0.27 -4.75 120.40 122.06 1yai s VAL 5 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 1yai s VAL 5 Cb -0.13 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 1yai s VAL 5 CO 0.03 0.51 0.86 -0.54 0.00 0.00 0.00 175.10 175.96 1yai s LYS 6 N 0.71 4.56 -0.09 2.72 1.02 -1.26 -1.62 119.74 125.78 1yai s LYS 6 Ca -0.11 1.23 -0.02 0.00 0.02 0.00 0.00 55.97 57.10 1yai s LYS 6 Cb -0.16 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1yai s LYS 6 CO 0.02 0.15 -0.01 -1.64 -0.92 0.00 0.00 175.35 172.95 1yai s MET 7 N 0.35 3.00 0.05 1.68 -1.94 0.78 -4.32 119.30 118.90 1yai s MET 7 Ca 0.44 -0.43 0.09 0.00 -1.71 0.00 0.00 55.69 54.08 1yai s MET 7 Cb -0.21 -2.78 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1yai s MET 7 CO 0.25 0.67 -0.24 0.99 -0.01 0.00 0.00 175.02 176.68 1yai s THR 8 N -0.80 1.97 -0.20 2.05 2.01 -0.11 0.10 115.64 120.66 1yai s THR 8 Ca 0.12 -1.36 -0.29 0.00 0.31 0.00 0.00 61.69 60.47 1yai s THR 8 Cb -0.11 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1yai s THR 8 CO 0.02 0.27 1.05 -0.62 -0.69 0.00 0.00 174.62 174.65 1yai s ASP 9 N -1.32 7.12 0.48 3.53 2.15 0.87 -1.53 116.67 127.98 1yai s ASP 9 Ca 0.10 1.44 0.24 0.00 0.43 0.00 0.00 52.55 54.76 1yai s ASP 9 Cb -0.10 -2.54 1.24 0.00 -0.30 0.00 0.00 42.92 41.22 1yai s ASP 9 CO 0.02 -0.63 2.00 -0.07 -0.17 0.00 0.00 175.17 176.32 1yai h LEU 10 N 9.15 0.00 0.02 -1.34 4.07 -1.19 0.54 115.31 126.57 1yai h LEU 10 Ca -0.22 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.74 1yai h LEU 10 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1yai h LEU 10 CO 0.95 0.17 -0.01 -0.61 -1.08 0.00 0.00 178.44 177.87 1yai h GLN 11 N 0.00 -0.03 0.00 1.13 4.15 -1.91 -3.37 115.11 115.08 1yai h GLN 11 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1yai h GLN 11 Cb 0.44 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1yai h GLN 11 CO 0.02 0.59 -1.27 0.25 -1.93 0.00 0.00 178.83 176.49 1yai n THR 12 N -4.80 0.00 -1.00 2.39 -2.24 -1.23 -4.99 114.28 102.42 1yai n THR 12 Ca -0.09 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1yai n THR 12 Cb 0.31 0.55 -0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1yai n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yai n GLY 13 N 1.46 0.49 3.76 3.38 0.00 0.19 -5.01 105.19 109.47 1yai n GLY 13 Ca -0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1yai n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yai s LYS 14 N -0.04 4.71 0.40 1.61 2.47 -1.23 -4.71 119.74 122.95 1yai s LYS 14 Ca 0.00 1.32 -0.27 0.00 -1.56 0.00 0.00 55.97 55.46 1yai s LYS 14 Cb 0.00 -3.27 -0.10 0.00 -1.46 0.00 0.00 37.83 33.00 1yai s LYS 14 CO 0.00 0.55 1.46 -1.25 0.16 0.00 0.00 175.35 176.27 1yai s PRO 15 N -1.17 4.00 0.00 4.03 0.04 -1.26 -0.09 135.00 140.55 1yai s PRO 15 Ca 0.38 2.51 0.03 0.00 0.04 0.00 0.00 61.00 63.96 1yai s PRO 15 Cb -0.24 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 31.47 1yai s PRO 15 CO 0.29 -0.60 0.88 1.55 0.04 0.00 0.00 177.00 179.17 1yai n VAL 16 N 0.29 0.61 0.00 -0.36 3.14 0.12 -4.80 118.33 117.32 1yai n VAL 16 Ca 0.02 -0.80 0.00 0.00 -2.96 0.00 0.00 64.34 60.60 1yai n VAL 16 Cb 0.40 0.72 0.00 0.00 -1.06 0.00 0.00 33.84 33.90 1yai n VAL 16 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1yai n GLY 17 N -0.08 0.41 3.33 7.55 0.00 -1.23 -1.63 105.19 113.54 1yai n GLY 17 Ca 0.03 -2.27 -0.17 0.00 0.00 0.00 0.00 46.02 43.60 1yai n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yai s THR 18 N 0.00 0.61 -0.06 2.61 -4.23 -0.86 -0.16 115.64 113.55 1yai s THR 18 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1yai s THR 18 Cb 0.00 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.22 1yai s THR 18 CO 0.00 0.00 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.39 1yai s ILE 19 N -3.70 0.72 -0.18 2.99 1.01 -0.64 -1.00 121.20 120.40 1yai s ILE 19 Ca 0.37 -0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 1yai s ILE 19 Cb 0.08 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 1yai s ILE 19 CO 0.14 0.27 0.24 -0.70 0.00 0.00 0.00 174.94 174.89 1yai s GLU 20 N 0.98 4.21 -0.15 2.79 2.12 0.19 -1.12 118.70 127.72 1yai s GLU 20 Ca -0.10 -0.03 -0.07 0.00 0.36 0.00 0.00 54.97 55.13 1yai s GLU 20 Cb -0.14 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1yai s GLU 20 CO 0.00 0.22 0.11 -0.51 -0.54 0.00 0.00 175.26 174.54 1yai s LEU 21 N 0.57 4.19 -0.02 2.70 1.02 0.19 -0.91 118.68 126.41 1yai s LEU 21 Ca 0.13 0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.60 1yai s LEU 21 Cb -0.13 -2.04 0.02 0.00 0.02 0.00 0.00 46.19 44.07 1yai s LEU 21 CO 0.02 0.31 0.02 -0.55 0.02 0.00 0.00 176.35 176.17 1yai s SER 22 N -0.43 0.12 -0.07 2.29 0.15 -0.60 -0.59 113.70 114.58 1yai s SER 22 Ca 0.11 0.02 -0.27 0.00 0.70 0.00 0.00 55.95 56.51 1yai s SER 22 Cb -0.12 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 1yai s SER 22 CO 0.02 -0.10 0.86 -1.58 1.20 0.00 0.00 173.24 173.64 1yai s GLN 23 N 0.86 4.45 0.26 5.44 2.00 -1.26 -1.00 119.66 130.41 1yai s GLN 23 Ca -0.07 1.16 0.07 0.00 -2.00 0.00 0.00 55.36 54.51 1yai s GLN 23 Cb -0.11 -3.49 -0.06 0.00 0.80 0.00 0.00 33.01 30.16 1yai s GLN 23 CO -0.02 -0.10 -0.07 1.21 -0.50 0.00 0.00 175.29 175.81 1yai s ASN 24 N 0.98 2.69 0.60 6.67 3.84 0.44 -4.97 114.94 125.18 1yai s ASN 24 Ca 0.44 -1.16 0.38 0.00 0.21 0.00 0.00 52.86 52.73 1yai s ASN 24 Cb -0.19 -0.15 1.79 0.00 -0.55 0.00 0.00 41.25 42.15 1yai s ASN 24 CO 0.20 -0.31 2.14 0.07 -2.79 0.00 0.00 177.10 176.41 1yai h LYS 25 N 2.34 0.00 -0.01 0.43 2.10 -2.02 -2.71 116.57 116.70 1yai h LYS 25 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1yai h LYS 25 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1yai h LYS 25 CO 0.66 0.00 -0.50 0.66 -2.00 0.00 0.00 179.45 178.27 1yai n TYR 26 N -3.09 0.00 -0.87 0.07 4.01 -1.26 -5.07 117.16 110.95 1yai n TYR 26 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1yai n TYR 26 Cb 0.21 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1yai n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yai n GLY 27 N 1.42 0.65 3.76 2.72 0.00 -1.02 -4.16 105.19 108.55 1yai n GLY 27 Ca 0.09 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1yai n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yai s VAL 28 N -2.97 5.40 -0.23 1.61 1.01 -0.67 -0.42 120.40 124.13 1yai s VAL 28 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 1yai s VAL 28 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1yai s VAL 28 CO 0.00 0.46 0.17 -0.69 0.00 0.00 0.00 175.10 175.04 1yai s VAL 29 N 0.13 5.36 -0.30 2.92 1.01 -0.18 -0.55 120.40 128.80 1yai s VAL 29 Ca 0.11 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1yai s VAL 29 Cb -0.12 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1yai s VAL 29 CO 0.00 0.35 0.13 -0.36 0.00 0.00 0.00 175.10 175.22 1yai s PHE 30 N 0.96 3.16 -0.36 5.22 0.40 -0.12 -1.56 117.98 125.68 1yai s PHE 30 Ca 0.08 -0.61 -0.01 0.00 -0.60 0.00 0.00 56.93 55.80 1yai s PHE 30 Cb -0.13 -2.32 0.09 0.00 0.51 0.00 0.00 43.02 41.17 1yai s PHE 30 CO 0.04 -0.46 0.10 0.99 0.70 0.00 0.00 175.22 176.59 1yai s THR 31 N 1.60 2.97 0.44 0.64 2.01 -0.09 -1.66 115.64 121.54 1yai s THR 31 Ca 0.05 -1.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.07 1yai s THR 31 Cb -0.17 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.34 1yai s THR 31 CO 0.05 -0.46 0.80 -2.16 -0.69 0.00 0.00 174.62 172.16 1yai s PRO 32 N 1.13 3.74 -0.43 4.92 0.04 -1.26 -0.64 135.00 142.49 1yai s PRO 32 Ca 0.04 0.47 0.07 0.00 0.04 0.00 0.00 61.00 61.61 1yai s PRO 32 Cb -0.21 -2.36 0.23 0.00 0.04 0.00 0.00 34.50 32.21 1yai s PRO 32 CO -0.04 -0.11 0.63 -1.91 0.04 0.00 0.00 177.00 175.61 1yai n GLU 33 N -1.56 0.65 -4.40 4.56 2.13 -0.17 -4.19 120.64 117.66 1yai n GLU 33 Ca 0.03 -2.65 -0.25 0.00 0.66 0.00 0.00 57.16 54.95 1yai n GLU 33 Cb 0.54 -1.37 -0.10 0.00 0.27 0.00 0.00 31.44 30.79 1yai n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1yai s LEU 34 N -0.71 2.75 0.18 4.31 1.43 -0.92 -2.03 118.68 123.69 1yai s LEU 34 Ca 0.33 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1yai s LEU 34 Cb 0.16 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1yai s LEU 34 CO -0.16 0.06 0.18 0.00 0.23 0.00 0.00 176.35 176.66 1yai s ALA 35 N -2.20 0.67 -0.79 4.21 0.00 -0.65 -1.60 121.76 121.41 1yai s ALA 35 Ca 0.28 -1.37 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 1yai s ALA 35 Cb -0.06 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.15 1yai s ALA 35 CO 0.15 -0.61 0.05 -0.25 0.00 0.00 0.00 175.76 175.10 1yai n ASP 36 N -0.22 -3.29 -4.72 0.00 8.00 -0.85 -4.83 116.55 110.64 1yai n ASP 36 Ca -0.02 -0.03 -0.23 0.00 0.71 0.00 0.00 54.79 55.22 1yai n ASP 36 Cb 0.64 -2.50 -0.06 0.00 -0.02 0.00 0.00 41.12 39.18 1yai n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yai s LEU 37 N -2.81 3.47 0.32 0.64 1.43 -1.13 -5.09 118.68 115.51 1yai s LEU 37 Ca 0.02 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.41 1yai s LEU 37 Cb -0.01 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 1yai s LEU 37 CO 0.03 -0.00 0.99 0.42 0.23 0.00 0.00 176.35 178.02 1yai s THR 38 N -2.17 3.96 0.50 5.49 -4.23 -1.26 -4.25 115.64 113.68 1yai s THR 38 Ca 0.32 1.72 -0.23 0.00 -1.18 0.00 0.00 61.69 62.32 1yai s THR 38 Cb -0.07 -3.99 -0.07 0.00 1.34 0.00 0.00 72.50 69.70 1yai s THR 38 CO 0.22 0.22 1.21 -2.65 -0.54 0.00 0.00 174.62 173.07 1yai n PRO 39 N 0.70 1.57 0.00 3.99 -0.02 -1.26 -4.73 135.00 135.26 1yai n PRO 39 Ca 0.01 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1yai n PRO 39 Cb 0.49 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1yai n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yai n GLY 40 N 0.94 0.39 3.80 -1.23 0.00 -0.13 -4.93 105.19 104.03 1yai n GLY 40 Ca 0.10 -2.31 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1yai n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yai s MET 41 N -0.32 4.13 0.07 1.61 -1.94 -1.26 -1.04 119.30 120.54 1yai s MET 41 Ca 0.00 0.54 0.09 0.00 -1.71 0.00 0.00 55.69 54.61 1yai s MET 41 Cb 0.00 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.53 1yai s MET 41 CO 0.00 0.53 -0.24 -1.01 -0.01 0.00 0.00 175.02 174.29 1yai s HIS 42 N -0.63 2.12 0.33 -0.03 3.76 0.85 -3.92 115.29 117.77 1yai s HIS 42 Ca 0.26 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 1yai s HIS 42 Cb -0.17 -1.24 -0.11 0.00 1.11 0.00 0.00 32.58 32.17 1yai s HIS 42 CO 0.15 0.16 1.46 0.20 -0.85 0.00 0.00 174.74 175.86 1yai s GLY 43 N -1.44 2.72 -0.18 -2.22 0.00 -0.11 -1.51 107.32 104.58 1yai s GLY 43 Ca 0.10 1.47 -0.05 0.00 0.00 0.00 0.00 44.72 46.25 1yai s GLY 43 CO 0.03 2.24 0.09 -0.12 0.00 0.00 0.00 173.10 175.33 1yai s PHE 44 N -0.76 0.31 0.05 1.90 5.36 -1.26 -1.60 117.98 121.98 1yai s PHE 44 Ca 0.55 -0.41 -0.04 0.00 -0.96 0.00 0.00 56.93 56.06 1yai s PHE 44 Cb -0.45 -0.75 -0.02 0.00 -0.34 0.00 0.00 43.02 41.47 1yai s PHE 44 CO 0.55 -0.54 0.07 -1.01 -1.46 0.00 0.00 175.22 172.83 1yai s HIS 45 N 2.10 0.29 -0.12 10.12 3.76 -0.80 -2.71 115.29 127.94 1yai s HIS 45 Ca 0.02 -0.70 -0.21 0.00 -0.15 0.00 0.00 55.06 54.02 1yai s HIS 45 Cb -0.16 -0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.29 1yai s HIS 45 CO -0.10 -0.40 0.63 0.42 -0.85 0.00 0.00 174.74 174.44 1yai s ILE 46 N -3.21 5.07 0.20 0.60 -1.09 0.58 -0.35 121.20 123.01 1yai s ILE 46 Ca 0.00 1.25 0.06 0.00 -2.23 0.00 0.00 60.65 59.73 1yai s ILE 46 Cb 0.02 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1yai s ILE 46 CO -0.07 0.22 0.17 -1.00 -1.23 0.00 0.00 174.94 173.03 1yai s HIS 47 N 1.11 3.15 0.00 3.97 3.76 0.11 -0.78 115.29 126.61 1yai s HIS 47 Ca 0.32 -0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 55.18 1yai s HIS 47 Cb -0.16 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.05 1yai s HIS 47 CO 0.14 0.52 1.00 1.96 -0.85 0.00 0.00 174.74 177.51 1yai h GLN 48 N 2.02 -0.00 -7.06 1.40 1.08 -0.73 -2.24 115.11 109.58 1yai h GLN 48 Ca -0.48 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.27 1yai h GLN 48 Cb 1.22 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1yai h GLN 48 CO 0.62 -0.00 0.36 -0.80 -0.95 0.00 0.00 178.83 178.06 1yai s ASN 49 N -2.50 6.74 -1.28 1.46 0.01 -0.56 -4.49 114.94 114.32 1yai s ASN 49 Ca -0.00 1.79 -0.08 0.00 -0.71 0.00 0.00 52.86 53.85 1yai s ASN 49 Cb 0.00 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 39.04 1yai s ASN 49 CO 0.00 -0.50 2.94 0.61 -1.51 0.00 0.00 177.10 178.64 1yai n GLY 50 N -0.44 4.27 3.33 0.66 0.00 -1.08 -3.33 105.19 108.59 1yai n GLY 50 Ca 0.08 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 1yai n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yai s SER 51 N 1.70 -0.33 0.00 1.61 0.15 -1.26 -4.98 113.70 110.59 1yai s SER 51 Ca 0.66 0.25 0.03 0.00 0.70 0.00 0.00 55.95 57.59 1yai s SER 51 Cb 0.21 0.39 0.09 0.00 -1.71 0.00 0.00 66.02 65.00 1yai s SER 51 CO -0.07 -0.52 1.08 0.00 1.20 0.00 0.00 173.24 174.93 1yai s ALA 53 N -1.00 2.17 1.01 0.00 0.00 -1.26 -3.80 121.76 118.88 1yai s ALA 53 Ca 0.07 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 1yai s ALA 53 Cb 0.04 -3.31 0.23 0.00 0.00 0.00 0.00 23.12 20.07 1yai s ALA 53 CO 0.05 -1.85 1.33 -1.12 0.00 0.00 0.00 175.76 174.17 1yai s SER 54 N -3.15 2.71 0.33 0.00 0.01 -1.26 -0.75 113.70 111.59 1yai s SER 54 Ca 0.63 0.22 -0.07 0.00 1.31 0.00 0.00 55.95 58.04 1yai s SER 54 Cb -0.19 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.85 1yai s SER 54 CO 0.54 -2.98 0.54 -0.94 0.41 0.00 0.00 173.24 170.80 1yai s SER 55 N -4.86 0.53 0.00 2.44 1.04 -0.84 -4.06 113.70 107.96 1yai s SER 55 Ca 0.76 -1.31 0.06 0.00 0.48 0.00 0.00 55.95 55.94 1yai s SER 55 Cb -0.03 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 1yai s SER 55 CO 0.54 -1.34 -0.18 -1.83 0.98 0.00 0.00 173.24 171.40 1yai s GLU 56 N -3.11 1.42 -0.11 4.02 4.04 -1.26 -0.29 118.70 123.42 1yai s GLU 56 Ca 0.26 -0.71 -0.02 0.00 0.04 0.00 0.00 54.97 54.54 1yai s GLU 56 Cb -0.01 -1.41 0.04 0.00 0.02 0.00 0.00 34.13 32.77 1yai s GLU 56 CO 0.16 0.38 0.02 0.21 -1.84 0.00 0.00 175.26 174.19 1yai s LYS 57 N -0.62 0.56 -1.39 -4.83 2.20 0.67 -4.79 119.74 111.54 1yai s LYS 57 Ca 0.07 -0.05 -0.08 0.00 -0.36 0.00 0.00 55.97 55.55 1yai s LYS 57 Cb -0.07 -1.34 0.03 0.00 -1.51 0.00 0.00 37.83 34.94 1yai s LYS 57 CO -0.00 -0.42 1.06 -0.25 -0.36 0.00 0.00 175.35 175.37 1yai n ASP 58 N 5.13 -4.83 0.00 1.43 8.00 -1.26 -1.10 116.55 123.92 1yai n ASP 58 Ca -0.07 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1yai n ASP 58 Cb 0.49 -4.61 0.00 0.00 -0.02 0.00 0.00 41.12 36.98 1yai n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yai n GLY 59 N -1.76 0.62 3.86 0.44 0.00 -1.26 -5.00 105.19 102.09 1yai n GLY 59 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1yai n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yai s LYS 60 N -0.42 3.82 -0.02 1.61 -0.14 -0.26 -5.06 119.74 119.27 1yai s LYS 60 Ca 0.00 0.27 -0.23 0.00 -1.36 0.00 0.00 55.97 54.65 1yai s LYS 60 Cb 0.00 -3.04 -0.05 0.00 -1.68 0.00 0.00 37.83 33.06 1yai s LYS 60 CO 0.00 0.58 0.69 0.08 -0.76 0.00 0.00 175.35 175.94 1yai s VAL 61 N -1.33 4.93 -0.27 3.17 1.01 -1.26 -0.24 120.40 126.41 1yai s VAL 61 Ca 0.31 1.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 1yai s VAL 61 Cb -0.15 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.24 1yai s VAL 61 CO 0.17 0.33 -0.05 0.54 0.00 0.00 0.00 175.10 176.09 1yai s VAL 62 N 0.30 2.84 0.26 2.92 0.11 0.61 -4.94 120.40 122.50 1yai s VAL 62 Ca 0.36 -1.21 -0.30 0.00 -2.93 0.00 0.00 61.98 57.90 1yai s VAL 62 Cb -0.19 -2.53 -0.11 0.00 -1.53 0.00 0.00 36.38 32.03 1yai s VAL 62 CO 0.19 0.07 1.56 -0.76 -3.33 0.00 0.00 175.10 172.84 1yai s LEU 63 N 1.28 4.36 -0.58 2.54 1.43 -1.26 -1.98 118.68 124.47 1yai s LEU 63 Ca -0.03 2.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 1yai s LEU 63 Cb -0.18 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1yai s LEU 63 CO -0.03 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1yai n GLY 64 N 2.53 0.64 0.27 -3.19 0.00 -1.22 -4.50 105.19 99.71 1yai n GLY 64 Ca 0.09 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1yai n GLY 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yai h GLY 65 N 0.00 0.00 2.00 -0.02 0.00 -1.21 -2.27 103.07 101.57 1yai h GLY 65 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1yai h GLY 65 CO 0.16 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.70 1yai n ALA 66 N -2.34 1.51 0.74 3.60 0.00 0.07 -2.00 120.51 122.09 1yai n ALA 66 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1yai n ALA 66 Cb 0.17 -1.23 0.49 0.00 0.00 0.00 0.00 19.45 18.88 1yai n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yai n ALA 67 N -1.57 2.12 -0.57 0.00 0.00 -0.85 -4.57 120.51 115.06 1yai n ALA 67 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.42 1yai n ALA 67 Cb 0.15 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 1yai n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yai n GLY 68 N 1.00 -1.52 0.00 0.00 0.00 -0.85 -1.50 105.19 102.33 1yai n GLY 68 Ca 0.05 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1yai n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yai n GLY 69 N -0.26 -1.52 3.77 -0.02 0.00 -1.26 -4.62 105.19 101.28 1yai n GLY 69 Ca 0.00 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1yai n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yai s HIS 70 N -0.36 3.32 -0.10 1.61 3.76 -1.26 -0.53 115.29 121.72 1yai s HIS 70 Ca 0.00 1.62 -0.33 0.00 -0.15 0.00 0.00 55.06 56.21 1yai s HIS 70 Cb 0.00 -3.31 -0.10 0.00 1.11 0.00 0.00 32.58 30.28 1yai s HIS 70 CO 0.00 -0.89 1.97 0.98 -0.85 0.00 0.00 174.74 175.95 1yai n TYR 71 N 0.55 2.26 -3.05 1.40 9.36 0.04 -4.44 117.16 123.29 1yai n TYR 71 Ca 0.02 -0.07 -0.18 0.00 3.32 0.00 0.00 57.90 60.98 1yai n TYR 71 Cb 0.46 -2.69 -0.03 0.00 -0.63 0.00 0.00 39.34 36.46 1yai n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1yai n ASP 72 N 7.72 -0.75 0.28 2.98 2.03 -1.26 -1.09 116.55 126.45 1yai n ASP 72 Ca 0.25 -2.94 0.16 0.00 0.52 0.00 0.00 54.79 52.78 1yai n ASP 72 Cb 0.33 0.17 0.90 0.00 -0.72 0.00 0.00 41.12 41.81 1yai n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1yai h PRO 73 N 3.87 0.00 -0.23 -0.67 0.13 -1.97 -0.03 132.00 133.10 1yai h PRO 73 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1yai h PRO 73 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1yai h PRO 73 CO 0.41 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.57 1yai n GLU 74 N -3.80 1.95 -3.89 0.86 4.71 -1.26 -4.96 120.64 114.24 1yai n GLU 74 Ca -0.02 -1.43 -0.25 0.00 -0.01 0.00 0.00 57.16 55.45 1yai n GLU 74 Cb 0.15 -1.42 -0.00 0.00 -1.01 0.00 0.00 31.44 29.15 1yai n GLU 74 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1yai n HIS 75 N 0.66 -1.76 0.18 -0.32 8.25 -0.02 -4.87 115.22 117.32 1yai n HIS 75 Ca 0.17 0.79 0.06 0.00 -0.26 0.00 0.00 57.72 58.48 1yai n HIS 75 Cb 0.41 -3.90 0.18 0.00 1.12 0.00 0.00 29.99 27.80 1yai n HIS 75 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1yai h THR 76 N -1.84 0.63 -5.66 1.59 1.35 -1.90 -3.47 112.91 103.61 1yai h THR 76 Ca -0.62 -1.69 -0.42 0.00 -0.55 0.00 0.00 66.41 63.12 1yai h THR 76 Cb 1.37 2.16 -0.06 0.00 -1.73 0.00 0.00 68.15 69.89 1yai h THR 76 CO 0.62 0.33 -0.64 0.59 -0.25 0.00 0.00 175.52 176.17 1yai n ASN 77 N -3.25 -4.33 -3.79 5.36 3.02 -1.26 -4.89 115.26 106.12 1yai n ASN 77 Ca 0.02 -0.53 -0.13 0.00 -0.03 0.00 0.00 54.58 53.91 1yai n ASN 77 Cb 0.61 -3.52 -0.11 0.00 -0.61 0.00 0.00 39.78 36.15 1yai n ASN 77 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1yai s LYS 78 N -6.22 0.41 -0.08 3.52 2.20 -1.26 -5.04 119.74 113.27 1yai s LYS 78 Ca 0.49 0.12 -0.13 0.00 -0.36 0.00 0.00 55.97 56.09 1yai s LYS 78 Cb -0.25 0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.21 1yai s LYS 78 CO 0.60 -0.08 0.32 -1.58 -0.36 0.00 0.00 175.35 174.26 1yai s HIS 79 N -0.43 3.60 0.00 4.03 5.65 -1.26 0.13 115.29 127.01 1yai s HIS 79 Ca -0.05 0.77 0.00 0.00 0.25 0.00 0.00 55.06 56.02 1yai s HIS 79 Cb -0.04 -2.26 0.00 0.00 -1.18 0.00 0.00 32.58 29.11 1yai s HIS 79 CO 0.01 0.49 0.00 0.41 -0.65 0.00 0.00 174.74 175.01 1yai n GLY 80 N 2.48 3.70 3.88 1.59 0.00 -1.26 -4.15 105.19 111.42 1yai n GLY 80 Ca -0.14 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 1yai n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yai s PHE 81 N -0.78 3.57 -0.83 1.61 0.08 -1.26 -4.66 117.98 115.71 1yai s PHE 81 Ca 0.00 1.21 0.20 0.00 0.12 0.00 0.00 56.93 58.46 1yai s PHE 81 Cb 0.00 -2.75 0.81 0.00 -0.57 0.00 0.00 43.02 40.52 1yai s PHE 81 CO 0.00 -0.74 1.61 -2.30 -0.10 0.00 0.00 175.22 173.69 1yai n PRO 82 N -2.75 0.07 -0.10 0.24 -0.02 -1.26 -2.92 135.00 128.26 1yai n PRO 82 Ca 0.06 0.27 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1yai n PRO 82 Cb 0.55 -1.63 0.15 0.00 -0.02 0.00 0.00 33.50 32.55 1yai n PRO 82 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1yai n TRP 83 N -1.76 0.07 -4.61 6.00 2.14 -1.26 -4.28 117.44 113.73 1yai n TRP 83 Ca 0.04 -0.99 -0.30 0.00 2.07 0.00 0.00 57.50 58.32 1yai n TRP 83 Cb 0.23 -0.16 -0.13 0.00 -0.81 0.00 0.00 31.31 30.43 1yai n TRP 83 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1yai s THR 84 N -2.87 2.50 -0.21 -1.67 -4.23 -1.15 -5.06 115.64 102.96 1yai s THR 84 Ca 0.33 -1.42 0.22 0.00 -1.18 0.00 0.00 61.69 59.64 1yai s THR 84 Cb 0.28 -2.06 -0.06 0.00 1.34 0.00 0.00 72.50 72.00 1yai s THR 84 CO 0.03 0.25 0.95 0.47 -0.54 0.00 0.00 174.62 175.78 1yai n ASP 85 N 1.35 0.70 -2.23 3.99 8.00 -1.26 -4.41 116.55 122.67 1yai n ASP 85 Ca -0.17 0.26 -0.25 0.00 0.71 0.00 0.00 54.79 55.34 1yai n ASP 85 Cb 0.52 0.72 0.02 0.00 -0.02 0.00 0.00 41.12 42.37 1yai n ASP 85 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1yai n ASP 86 N -2.59 6.83 -3.67 -2.24 5.68 -1.26 -4.90 116.55 114.40 1yai n ASP 86 Ca -0.01 -3.32 -0.10 0.00 -0.50 0.00 0.00 54.79 50.87 1yai n ASP 86 Cb 0.55 -1.09 -0.03 0.00 -1.14 0.00 0.00 41.12 39.41 1yai n ASP 86 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1yai s ASN 87 N -0.30 0.07 0.07 -1.12 2.20 -1.26 -4.71 114.94 109.88 1yai s ASN 87 Ca 0.47 -1.01 -0.38 0.00 -0.94 0.00 0.00 52.86 51.01 1yai s ASN 87 Cb 0.35 0.67 -0.18 0.00 -2.00 0.00 0.00 41.25 40.10 1yai s ASN 87 CO -0.10 -1.29 1.27 1.41 -2.94 0.00 0.00 177.10 175.44 1yai n HIS 88 N -0.45 1.28 0.26 1.54 8.25 0.12 -4.85 115.22 121.37 1yai n HIS 88 Ca -0.03 0.75 0.15 0.00 -0.26 0.00 0.00 57.72 58.33 1yai n HIS 88 Cb 0.61 -2.27 0.65 0.00 1.12 0.00 0.00 29.99 30.10 1yai n HIS 88 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1yai h LYS 89 N 4.14 0.00 0.00 -0.41 3.64 -1.83 -2.34 116.57 119.76 1yai h LYS 89 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1yai h LYS 89 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1yai h LYS 89 CO 0.74 0.09 0.00 0.41 -2.27 0.00 0.00 179.45 178.42 1yai n GLY 90 N -0.09 -0.91 3.59 5.01 0.00 -0.25 -4.80 105.19 107.74 1yai n GLY 90 Ca -0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1yai n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yai s ASP 91 N -1.76 6.48 0.39 1.61 1.01 -0.88 -0.30 116.67 123.21 1yai s ASP 91 Ca 0.32 0.36 0.08 0.00 0.71 0.00 0.00 52.55 54.02 1yai s ASP 91 Cb 0.15 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.52 1yai s ASP 91 CO 0.25 -1.41 0.43 -0.76 0.21 0.00 0.00 175.17 173.89 1yai s LEU 92 N 4.93 3.57 0.51 1.23 1.43 -1.10 -4.05 118.68 125.21 1yai s LEU 92 Ca 0.48 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 1yai s LEU 92 Cb -0.08 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 1yai s LEU 92 CO 0.29 -0.60 1.19 -2.84 0.23 0.00 0.00 176.35 174.62 1yai s PRO 93 N -4.17 3.46 0.66 1.29 0.02 -1.26 -4.67 135.00 130.32 1yai s PRO 93 Ca 0.48 1.81 -0.17 0.00 0.02 0.00 0.00 61.00 63.14 1yai s PRO 93 Cb -0.06 -2.22 -0.01 0.00 0.02 0.00 0.00 34.50 32.22 1yai s PRO 93 CO 0.29 -0.81 1.18 0.00 -0.33 0.00 0.00 177.00 177.34 1yai n ALA 94 N -0.91 0.71 -2.73 -1.55 0.00 -1.26 -4.58 120.51 110.19 1yai n ALA 94 Ca 0.10 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1yai n ALA 94 Cb 0.48 -2.25 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 1yai n ALA 94 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1yai s LEU 95 N -3.79 4.22 -0.17 0.00 2.96 -0.57 -4.88 118.68 116.44 1yai s LEU 95 Ca 0.80 0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 54.90 1yai s LEU 95 Cb -0.38 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 1yai s LEU 95 CO 0.43 0.16 0.21 0.12 -1.32 0.00 0.00 176.35 175.95 1yai s PHE 96 N 0.40 3.45 -0.16 5.38 5.36 -1.26 -0.11 117.98 131.03 1yai s PHE 96 Ca 0.10 0.48 -0.01 0.00 -0.96 0.00 0.00 56.93 56.54 1yai s PHE 96 Cb -0.12 -2.24 -0.01 0.00 -0.34 0.00 0.00 43.02 40.32 1yai s PHE 96 CO -0.00 0.29 -0.11 0.08 -1.46 0.00 0.00 175.22 174.02 1yai s VAL 97 N 0.32 3.01 0.88 3.12 1.01 -0.21 -4.32 120.40 124.21 1yai s VAL 97 Ca 0.13 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 1yai s VAL 97 Cb -0.12 -2.30 0.12 0.00 0.00 0.00 0.00 36.38 34.08 1yai s VAL 97 CO 0.01 0.49 1.11 -0.94 0.00 0.00 0.00 175.10 175.78 1yai s SER 98 N 0.83 3.76 0.55 3.32 1.04 0.40 -0.96 113.70 122.64 1yai s SER 98 Ca -0.04 1.17 0.33 0.00 0.48 0.00 0.00 55.95 57.89 1yai s SER 98 Cb -0.15 -1.82 1.48 0.00 0.10 0.00 0.00 66.02 65.63 1yai s SER 98 CO 0.01 -2.42 1.83 0.00 0.98 0.00 0.00 173.24 173.64 1yai h ALA 99 N -1.40 2.83 -0.35 5.32 0.00 -1.96 0.31 119.26 124.00 1yai h ALA 99 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1yai h ALA 99 Cb 1.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1yai h ALA 99 CO 0.60 -1.20 0.00 0.27 0.00 0.00 0.00 179.25 178.91 1yai n ASN 100 N -4.07 2.91 -0.65 0.00 6.94 -1.26 -4.79 115.26 114.34 1yai n ASN 100 Ca 0.19 -2.27 -0.07 0.00 -0.02 0.00 0.00 54.58 52.41 1yai n ASN 100 Cb 1.05 -0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 37.99 1yai n ASN 100 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yai n GLY 101 N 0.71 0.72 3.69 4.83 0.00 0.11 -4.77 105.19 110.48 1yai n GLY 101 Ca 0.14 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1yai n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yai s LEU 102 N -1.82 3.64 -0.29 0.99 1.02 -1.25 -2.00 118.68 118.96 1yai s LEU 102 Ca 0.00 0.16 -0.00 0.00 0.02 0.00 0.00 54.13 54.30 1yai s LEU 102 Cb 0.00 -1.84 0.05 0.00 0.02 0.00 0.00 46.19 44.42 1yai s LEU 102 CO 0.00 0.37 -0.03 0.00 0.02 0.00 0.00 176.35 176.71 1yai s ALA 103 N -0.81 2.75 0.00 4.21 0.00 -0.63 -0.45 121.76 126.83 1yai s ALA 103 Ca 0.12 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1yai s ALA 103 Cb -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1yai s ALA 103 CO 0.02 -1.26 0.57 0.25 0.00 0.00 0.00 175.76 175.34 1yai n THR 104 N 4.57 0.19 -3.16 0.00 -2.24 -1.26 -2.18 114.28 110.20 1yai n THR 104 Ca -0.13 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 1yai n THR 104 Cb 0.43 0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 69.55 1yai n THR 104 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1yai s ASN 105 N -0.19 6.38 0.58 3.42 2.47 -1.26 -4.71 114.94 121.63 1yai s ASN 105 Ca 0.00 0.04 -0.18 0.00 0.42 0.00 0.00 52.86 53.14 1yai s ASN 105 Cb 0.00 -2.30 -0.04 0.00 -1.45 0.00 0.00 41.25 37.46 1yai s ASN 105 CO 0.00 -0.56 1.12 -2.16 -3.72 0.00 0.00 177.10 171.78 1yai s PRO 106 N 2.59 3.17 0.11 0.43 0.04 -1.26 -4.65 135.00 135.44 1yai s PRO 106 Ca 0.22 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1yai s PRO 106 Cb -0.15 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1yai s PRO 106 CO 0.14 -0.98 -0.11 0.14 0.04 0.00 0.00 177.00 176.24 1yai s VAL 107 N -1.97 1.07 -0.06 -0.36 -7.23 -0.66 -4.99 120.40 106.19 1yai s VAL 107 Ca 0.71 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1yai s VAL 107 Cb -0.23 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 1yai s VAL 107 CO 0.32 -0.57 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.20 1yai s LEU 108 N -2.61 2.87 -0.51 1.32 2.96 -1.26 -0.95 118.68 120.50 1yai s LEU 108 Ca 0.09 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1yai s LEU 108 Cb -0.02 -1.60 0.13 0.00 0.50 0.00 0.00 46.19 45.20 1yai s LEU 108 CO 0.01 0.33 0.28 0.00 -1.32 0.00 0.00 176.35 175.65 1yai s ALA 109 N -0.65 3.32 0.39 5.97 0.00 0.29 -4.65 121.76 126.42 1yai s ALA 109 Ca 0.10 -2.99 0.27 0.00 0.00 0.00 0.00 51.96 49.33 1yai s ALA 109 Cb -0.11 -2.38 1.39 0.00 0.00 0.00 0.00 23.12 22.02 1yai s ALA 109 CO 0.01 -1.95 2.05 -1.00 0.00 0.00 0.00 175.76 174.87 1yai h PRO 110 N 7.21 0.00 -0.01 0.00 0.13 -1.78 -1.74 132.00 135.82 1yai h PRO 110 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1yai h PRO 110 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1yai h PRO 110 CO 0.68 0.13 -0.12 0.54 -0.23 0.00 0.00 178.00 178.99 1yai n ARG 111 N -3.62 1.02 -4.17 0.86 1.74 -1.26 -4.52 116.66 106.70 1yai n ARG 111 Ca -0.02 -0.50 -0.23 0.00 -0.77 0.00 0.00 57.85 56.34 1yai n ARG 111 Cb 0.26 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.15 1yai n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yai s LEU 112 N -2.32 3.61 0.13 0.55 1.43 -1.15 -5.07 118.68 115.85 1yai s LEU 112 Ca 0.31 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.13 1yai s LEU 112 Cb 0.20 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1yai s LEU 112 CO 0.45 -0.02 -0.23 0.42 0.23 0.00 0.00 176.35 177.20 1yai s THR 113 N -2.16 1.99 0.28 5.49 -4.23 -1.26 -3.69 115.64 112.05 1yai s THR 113 Ca 0.32 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1yai s THR 113 Cb -0.08 -1.81 0.06 0.00 1.34 0.00 0.00 72.50 72.02 1yai s THR 113 CO 0.23 -0.05 1.72 0.25 -0.54 0.00 0.00 174.62 176.23 1yai h LEU 114 N 3.81 0.49 -1.51 4.79 5.85 -1.94 -2.96 115.31 123.84 1yai h LEU 114 Ca -0.47 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.21 1yai h LEU 114 Cb 1.18 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1yai h LEU 114 CO 0.42 0.74 0.50 0.11 -0.34 0.00 0.00 178.44 179.87 1yai h LYS 115 N 0.43 0.49 0.00 1.25 1.57 -2.00 -1.80 116.57 116.50 1yai h LYS 115 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1yai h LYS 115 Cb 0.67 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1yai h LYS 115 CO 0.05 0.32 -0.45 -0.85 -0.57 0.00 0.00 179.45 177.95 1yai n GLU 116 N -4.49 0.25 0.17 3.15 0.28 -1.12 -4.08 120.64 114.80 1yai n GLU 116 Ca 0.14 0.10 0.04 0.00 -0.16 0.00 0.00 57.16 57.29 1yai n GLU 116 Cb 0.47 -1.69 0.21 0.00 1.43 0.00 0.00 31.44 31.86 1yai n GLU 116 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1yai h LEU 117 N 0.00 0.00 -9.55 -1.84 3.38 -1.36 -3.46 115.31 102.48 1yai h LEU 117 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1yai h LEU 117 Cb 0.72 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.53 1yai h LEU 117 CO 0.00 0.43 0.79 0.29 0.09 0.00 0.00 178.44 180.04 1yai n LYS 118 N -3.40 2.22 -0.41 1.13 5.02 -1.24 -2.07 118.16 119.41 1yai n LYS 118 Ca 0.01 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1yai n LYS 118 Cb 0.60 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1yai n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yai n GLY 119 N 3.19 0.74 3.81 0.72 0.00 -0.20 -5.05 105.19 108.39 1yai n GLY 119 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1yai n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yai s HIS 120 N -2.53 2.13 0.09 1.61 3.76 -0.88 -2.62 115.29 116.85 1yai s HIS 120 Ca 0.00 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.22 1yai s HIS 120 Cb 0.00 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 1yai s HIS 120 CO 0.00 -0.05 -0.04 0.00 -0.85 0.00 0.00 174.74 173.79 1yai s ALA 121 N -2.71 3.15 -0.21 -1.40 0.00 -0.84 -0.80 121.76 118.95 1yai s ALA 121 Ca 0.32 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 1yai s ALA 121 Cb 0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1yai s ALA 121 CO 0.19 0.67 0.12 0.42 0.00 0.00 0.00 175.76 177.16 1yai s ILE 122 N -1.25 5.19 0.05 0.00 1.01 0.18 0.07 121.20 126.45 1yai s ILE 122 Ca 0.23 0.11 0.09 0.00 0.00 0.00 0.00 60.65 61.09 1yai s ILE 122 Cb -0.11 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 1yai s ILE 122 CO 0.16 0.42 -0.26 -0.32 0.00 0.00 0.00 174.94 174.93 1yai s MET 123 N 0.60 1.78 -0.13 2.79 1.75 0.53 -2.06 119.30 124.57 1yai s MET 123 Ca 0.06 -1.12 0.02 0.00 -1.25 0.00 0.00 55.69 53.40 1yai s MET 123 Cb -0.12 -1.97 -0.00 0.00 2.84 0.00 0.00 34.83 35.58 1yai s MET 123 CO 0.01 0.51 -0.18 0.42 -0.65 0.00 0.00 175.02 175.12 1yai s ILE 124 N -0.81 2.52 0.42 10.11 1.01 0.05 -1.91 121.20 132.59 1yai s ILE 124 Ca 0.12 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 60.00 1yai s ILE 124 Cb -0.10 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 1yai s ILE 124 CO 0.02 0.54 0.45 -1.00 0.00 0.00 0.00 174.94 174.94 1yai s HIS 125 N 0.54 2.69 0.03 3.97 3.76 -0.63 -0.93 115.29 124.72 1yai s HIS 125 Ca -0.11 -0.48 -0.20 0.00 -0.15 0.00 0.00 55.06 54.12 1yai s HIS 125 Cb -0.16 -2.23 -0.17 0.00 1.11 0.00 0.00 32.58 31.13 1yai s HIS 125 CO 0.04 -0.24 1.26 0.00 -0.85 0.00 0.00 174.74 174.95 1yai h ALA 126 N 0.89 0.19 -4.36 -1.40 0.00 -0.89 -3.37 119.26 110.32 1yai h ALA 126 Ca -0.41 -0.41 -0.25 0.00 0.00 0.00 0.00 54.91 53.85 1yai h ALA 126 Cb 1.27 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 19.09 1yai h ALA 126 CO 0.53 0.21 0.11 0.41 0.00 0.00 0.00 179.25 180.50 1yai n GLY 127 N 0.49 0.18 0.00 0.00 0.00 0.75 -4.87 105.19 101.74 1yai n GLY 127 Ca -0.07 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1yai n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yai n GLY 128 N 0.70 1.04 3.20 -0.02 0.00 -1.25 -0.93 105.19 107.93 1yai n GLY 128 Ca 0.09 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.44 1yai n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yai s ASP 129 N -1.00 -0.74 0.00 1.61 -1.08 -1.22 -2.80 116.67 111.44 1yai s ASP 129 Ca 0.00 0.86 0.23 0.00 -0.52 0.00 0.00 52.55 53.12 1yai s ASP 129 Cb 0.00 1.79 0.58 0.00 -1.46 0.00 0.00 42.92 43.83 1yai s ASP 129 CO 0.00 -0.26 1.48 -0.46 0.52 0.00 0.00 175.17 176.45 1yai n ASN 130 N 5.41 2.47 -2.81 -0.34 6.94 -0.93 -4.92 115.26 121.08 1yai n ASN 130 Ca -0.05 -1.83 -0.17 0.00 -0.02 0.00 0.00 54.58 52.51 1yai n ASN 130 Cb 0.50 -0.12 0.06 0.00 -2.36 0.00 0.00 39.78 37.87 1yai n ASN 130 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1yai n HIS 131 N 0.87 -2.10 -3.71 -2.53 8.25 -1.26 -5.00 115.22 109.74 1yai n HIS 131 Ca 0.17 0.75 -0.10 0.00 -0.26 0.00 0.00 57.72 58.29 1yai n HIS 131 Cb 0.47 -4.05 -0.03 0.00 1.12 0.00 0.00 29.99 27.50 1yai n HIS 131 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yai s SER 132 N -3.33 -0.31 0.00 0.41 0.15 -1.26 -4.12 113.70 105.25 1yai s SER 132 Ca 0.39 -0.43 0.20 0.00 0.70 0.00 0.00 55.95 56.81 1yai s SER 132 Cb -0.17 0.61 0.58 0.00 -1.71 0.00 0.00 66.02 65.32 1yai s SER 132 CO 0.54 -1.09 1.46 0.47 1.20 0.00 0.00 173.24 175.82 1yai n ASP 133 N -0.37 2.37 -4.05 5.45 8.00 -1.26 -0.62 116.55 126.07 1yai n ASP 133 Ca -0.10 -1.86 -0.20 0.00 0.71 0.00 0.00 54.79 53.34 1yai n ASP 133 Cb 0.62 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.38 1yai n ASP 133 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1yai s MET 134 N -1.61 0.95 0.48 -1.24 -1.94 -1.26 -2.80 119.30 111.89 1yai s MET 134 Ca 0.34 -0.39 0.27 0.00 -1.71 0.00 0.00 55.69 54.20 1yai s MET 134 Cb 0.19 -0.91 1.05 0.00 2.01 0.00 0.00 34.83 37.17 1yai s MET 134 CO 0.27 0.22 1.87 -1.35 -0.01 0.00 0.00 175.02 176.01 1yai h PRO 135 N 5.99 0.00 -6.60 2.03 0.11 -1.98 -3.49 132.00 128.06 1yai h PRO 135 Ca -0.32 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.10 1yai h PRO 135 Cb 1.17 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.05 1yai h PRO 135 CO 0.49 0.14 -0.82 0.15 -0.21 0.00 0.00 178.00 177.75 1yai s LYS 136 N -3.65 2.03 0.64 1.05 3.01 -1.24 -5.08 119.74 116.51 1yai s LYS 136 Ca 0.01 -1.00 -0.18 0.00 -1.01 0.00 0.00 55.97 53.80 1yai s LYS 136 Cb 0.10 -2.15 -0.01 0.00 -1.01 0.00 0.00 37.83 34.76 1yai s LYS 136 CO 0.61 0.54 1.24 0.00 0.51 0.00 0.00 175.35 178.24 1yai s ALA 137 N -0.88 2.41 -1.45 5.17 0.00 -1.12 -2.97 121.76 122.92 1yai s ALA 137 Ca 0.14 1.05 -0.08 0.00 0.00 0.00 0.00 51.96 53.06 1yai s ALA 137 Cb -0.10 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.57 1yai s ALA 137 CO 0.04 -1.44 0.70 1.28 0.00 0.00 0.00 175.76 176.34 1yai n LEU 138 N -1.91 -2.35 0.00 0.00 4.77 -1.26 -1.77 117.00 114.47 1yai n LEU 138 Ca 0.14 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1yai n LEU 138 Cb 0.49 -2.62 0.00 0.00 -2.33 0.00 0.00 43.42 38.96 1yai n LEU 138 CO 0.46 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1yai n GLY 139 N -1.49 0.24 2.01 -0.72 0.00 0.21 -3.01 105.19 102.43 1yai n GLY 139 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1yai n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yai n GLY 140 N -0.91 0.43 0.33 -0.02 0.00 -0.73 -2.20 105.19 102.09 1yai n GLY 140 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.20 1yai n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yai h GLY 141 N 0.00 0.83 0.00 -0.02 0.00 -1.42 -3.33 103.07 99.13 1yai h GLY 141 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1yai h GLY 141 CO 0.01 0.32 0.00 0.61 0.00 0.00 0.00 176.54 177.48 1yai n GLY 142 N -1.39 1.12 3.46 4.60 0.00 -1.26 -0.18 105.19 111.53 1yai n GLY 142 Ca 0.06 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 1yai n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yai n ALA 143 N 6.60 -1.75 -2.67 4.61 0.00 -1.26 -4.67 120.51 121.36 1yai n ALA 143 Ca 0.00 -0.33 -0.37 0.00 0.00 0.00 0.00 53.44 52.73 1yai n ALA 143 Cb 0.00 -1.85 -0.08 0.00 0.00 0.00 0.00 19.45 17.52 1yai n ALA 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yai s ARG 144 N -2.99 4.14 -0.13 0.00 0.52 -1.26 -0.89 118.95 118.33 1yai s ARG 144 Ca 0.63 0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.90 1yai s ARG 144 Cb -0.31 -3.53 -0.10 0.00 0.52 0.00 0.00 34.95 31.53 1yai s ARG 144 CO 0.60 0.01 -0.09 1.33 0.02 0.00 0.00 175.30 177.17 1yai n VAL 145 N 4.29 0.76 -4.04 3.52 0.24 -0.11 -4.84 118.33 118.16 1yai n VAL 145 Ca -0.11 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.74 1yai n VAL 145 Cb 0.51 -0.92 -0.12 0.00 -1.47 0.00 0.00 33.84 31.84 1yai n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yai s ALA 146 N -2.27 0.36 0.07 2.33 0.00 -1.09 -0.62 121.76 120.54 1yai s ALA 146 Ca -0.15 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 1yai s ALA 146 Cb 0.04 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.24 1yai s ALA 146 CO 0.34 -0.03 0.41 0.00 0.00 0.00 0.00 175.76 176.47 1yai s GLY 148 N -2.22 -0.36 -0.19 0.00 0.00 -0.87 -0.94 107.32 102.75 1yai s GLY 148 Ca -0.03 0.70 -0.07 0.00 0.00 0.00 0.00 44.72 45.31 1yai s GLY 148 CO -0.05 0.41 0.06 0.14 0.00 0.00 0.00 173.10 173.67 1yai s VAL 149 N -1.63 4.76 -0.39 1.40 1.01 -1.26 -0.64 120.40 123.64 1yai s VAL 149 Ca -0.10 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1yai s VAL 149 Cb -0.02 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1yai s VAL 149 CO 0.04 0.45 1.20 -0.63 0.00 0.00 0.00 175.10 176.17 1yai s ILE 150 N 0.43 4.22 0.00 2.22 1.01 0.02 -4.69 121.20 124.40 1yai s ILE 150 Ca 0.03 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.00 1yai s ILE 150 Cb -0.13 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 37.94 1yai s ILE 150 CO 0.00 -0.73 0.00 1.67 0.00 0.00 0.00 174.94 175.88