#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dyy s LYS 2 N 0.00 3.22 -0.04 2.12 2.36 -1.26 -1.52 119.74 124.62 2dyy s LYS 2 Ca 0.00 -0.73 -0.01 0.00 -2.55 0.00 0.00 55.97 52.68 2dyy s LYS 2 Cb 0.00 -2.73 0.03 0.00 -1.05 0.00 0.00 37.83 34.09 2dyy s LYS 2 CO 0.00 -0.09 0.08 -2.00 1.55 0.00 0.00 175.35 174.89 2dyy s GLU 3 N 1.10 0.01 0.20 4.03 2.12 -0.12 -4.98 118.70 121.06 2dyy s GLU 3 Ca 0.00 0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.32 2dyy s GLU 3 Cb -0.14 -0.24 -0.08 0.00 0.26 0.00 0.00 34.13 33.92 2dyy s GLU 3 CO -0.04 -0.19 0.93 0.14 -0.54 0.00 0.00 175.26 175.56 2dyy s VAL 4 N 1.24 4.19 -0.10 3.70 -7.23 -1.26 -0.30 120.40 120.65 2dyy s VAL 4 Ca -0.08 2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 62.07 2dyy s VAL 4 Cb -0.12 -4.31 -0.04 0.00 0.56 0.00 0.00 36.38 32.46 2dyy s VAL 4 CO -0.04 0.46 0.18 -0.63 -0.31 0.00 0.00 175.10 174.76 2dyy s ILE 5 N -0.91 5.44 -0.05 -0.62 1.09 0.90 -4.93 121.20 122.12 2dyy s ILE 5 Ca 0.42 0.26 -0.05 0.00 -1.10 0.00 0.00 60.65 60.17 2dyy s ILE 5 Cb -0.25 -3.45 0.01 0.00 -1.06 0.00 0.00 42.46 37.71 2dyy s ILE 5 CO 0.31 0.59 0.14 0.12 -0.10 0.00 0.00 174.94 176.00 2dyy s PHE 6 N -1.06 -0.15 -0.18 3.97 5.36 -1.26 -3.81 117.98 120.85 2dyy s PHE 6 Ca 0.17 0.37 -0.13 0.00 -0.96 0.00 0.00 56.93 56.39 2dyy s PHE 6 Cb -0.13 0.05 0.05 0.00 -0.34 0.00 0.00 43.02 42.66 2dyy s PHE 6 CO 0.06 -0.08 0.45 -0.08 -1.46 0.00 0.00 175.22 174.11 2dyy s THR 7 N 0.06 -0.01 -0.07 0.12 -1.32 -1.26 -4.98 115.64 108.18 2dyy s THR 7 Ca -0.00 0.04 0.31 0.00 -1.21 0.00 0.00 61.69 60.83 2dyy s THR 7 Cb -0.01 -0.64 0.34 0.00 -1.51 0.00 0.00 72.50 70.68 2dyy s THR 7 CO 0.00 0.02 1.91 -0.08 -2.21 0.00 0.00 174.62 174.26 2dyy h GLU 8 N 6.30 0.00 0.00 7.08 4.81 -1.98 -2.72 114.58 128.08 2dyy h GLU 8 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2dyy h GLU 8 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2dyy h GLU 8 CO 0.25 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.62 2dyy n ASN 9 N -2.77 0.00 -4.62 1.04 3.02 -1.26 -4.75 115.26 105.92 2dyy n ASN 9 Ca 0.01 0.38 -0.24 0.00 -0.03 0.00 0.00 54.58 54.70 2dyy n ASN 9 Cb 0.26 -0.45 -0.09 0.00 -0.61 0.00 0.00 39.78 38.89 2dyy n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dyy s ALA 10 N -2.90 3.16 0.23 5.41 0.00 -1.03 -4.70 121.76 121.94 2dyy s ALA 10 Ca 0.12 -1.93 -0.32 0.00 0.00 0.00 0.00 51.96 49.83 2dyy s ALA 10 Cb 0.13 -0.39 -0.12 0.00 0.00 0.00 0.00 23.12 22.74 2dyy s ALA 10 CO 0.35 0.10 1.62 -2.30 0.00 0.00 0.00 175.76 175.52 2dyy n PRO 11 N -0.92 2.54 -1.63 0.00 -0.02 -1.26 -4.81 135.00 128.89 2dyy n PRO 11 Ca -0.04 0.91 -0.46 0.00 -2.02 0.00 0.00 63.50 61.89 2dyy n PRO 11 Cb 0.62 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 2dyy n PRO 11 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2dyy n LYS 12 N 3.03 1.69 -2.56 -0.52 3.00 -1.26 -4.89 118.16 116.64 2dyy n LYS 12 Ca 0.13 0.60 -0.43 0.00 -0.00 0.00 0.00 58.31 58.61 2dyy n LYS 12 Cb 0.34 -2.16 -0.02 0.00 0.00 0.00 0.00 35.03 33.19 2dyy n LYS 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2dyy s PRO 13 N -0.73 4.03 -0.28 1.64 0.04 -1.26 -5.02 135.00 133.42 2dyy s PRO 13 Ca 0.67 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 2dyy s PRO 13 Cb -0.71 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.01 2dyy s PRO 13 CO 0.53 -0.96 0.28 0.96 0.04 0.00 0.00 177.00 177.85 2dyy s ILE 14 N 3.85 5.25 0.00 0.56 -4.36 -1.26 -4.88 121.20 120.36 2dyy s ILE 14 Ca 0.49 0.32 0.00 0.00 -0.26 0.00 0.00 60.65 61.20 2dyy s ILE 14 Cb -0.14 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 39.95 2dyy s ILE 14 CO 0.18 0.19 0.00 0.61 0.24 0.00 0.00 174.94 176.15 2dyy n GLY 15 N 4.90 -1.52 2.43 6.27 0.00 -1.26 -4.62 105.19 111.39 2dyy n GLY 15 Ca -0.11 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 2dyy n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dyy n PRO 16 N 0.00 4.22 -4.14 1.61 -0.04 -1.26 -4.91 135.00 130.48 2dyy n PRO 16 Ca 0.00 -3.08 -0.10 0.00 -0.04 0.00 0.00 63.50 60.29 2dyy n PRO 16 Cb 0.00 -2.62 -0.10 0.00 -0.04 0.00 0.00 33.50 30.74 2dyy n PRO 16 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dyy s TYR 17 N -0.46 0.84 0.29 0.54 2.02 -1.26 -5.18 117.35 114.13 2dyy s TYR 17 Ca 0.58 -1.21 0.10 0.00 -0.37 0.00 0.00 57.07 56.18 2dyy s TYR 17 Cb 0.20 -0.45 -0.05 0.00 -0.40 0.00 0.00 41.96 41.25 2dyy s TYR 17 CO -0.09 -0.54 -0.15 -1.12 -1.57 0.00 0.00 175.55 172.07 2dyy s SER 18 N -3.05 3.42 0.34 2.29 0.01 -1.26 -4.78 113.70 110.68 2dyy s SER 18 Ca 0.24 -1.09 0.16 0.00 1.31 0.00 0.00 55.95 56.58 2dyy s SER 18 Cb 0.07 -0.28 0.53 0.00 0.21 0.00 0.00 66.02 66.55 2dyy s SER 18 CO 0.02 -0.08 1.67 1.56 0.41 0.00 0.00 173.24 176.82 2dyy h GLN 19 N 2.24 0.00 -1.53 12.44 4.20 -1.93 -3.42 115.11 127.11 2dyy h GLN 19 Ca -0.40 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.45 2dyy h GLN 19 Cb 1.25 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.81 2dyy h GLN 19 CO 0.64 0.45 0.66 0.00 -0.67 0.00 0.00 178.83 179.91 2dyy s ALA 20 N -3.52 -1.98 -0.02 3.87 0.00 -1.25 -0.92 121.76 117.94 2dyy s ALA 20 Ca 0.00 1.58 0.07 0.00 0.00 0.00 0.00 51.96 53.61 2dyy s ALA 20 Cb 0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 2dyy s ALA 20 CO 0.71 -0.38 -0.22 0.42 0.00 0.00 0.00 175.76 176.29 2dyy s ILE 21 N -1.52 1.74 -0.24 0.00 1.09 -0.05 -0.07 121.20 122.15 2dyy s ILE 21 Ca 0.03 -0.94 -0.07 0.00 -1.10 0.00 0.00 60.65 58.57 2dyy s ILE 21 Cb -0.01 -1.45 -0.03 0.00 -1.06 0.00 0.00 42.46 39.92 2dyy s ILE 21 CO -0.03 0.49 0.05 -0.75 -0.10 0.00 0.00 174.94 174.61 2dyy s LYS 22 N -0.48 3.62 -0.17 2.79 2.20 0.59 -0.07 119.74 128.23 2dyy s LYS 22 Ca 0.07 -0.50 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 2dyy s LYS 22 Cb -0.09 -3.28 0.04 0.00 -1.51 0.00 0.00 37.83 32.99 2dyy s LYS 22 CO -0.00 -0.19 -0.03 0.00 -0.36 0.00 0.00 175.35 174.77 2dyy s ALA 23 N 1.58 1.36 0.00 3.13 0.00 0.15 -0.94 121.76 127.04 2dyy s ALA 23 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2dyy s ALA 23 Cb -0.15 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2dyy s ALA 23 CO 0.03 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2dyy n GLY 24 N 4.92 2.89 0.72 0.00 0.00 -0.58 -0.92 105.19 112.22 2dyy n GLY 24 Ca -0.11 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.80 2dyy n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dyy n ASN 25 N 5.48 2.18 -4.90 1.61 5.03 -1.26 -4.76 115.26 118.65 2dyy n ASN 25 Ca 0.00 -1.76 -0.34 0.00 0.87 0.00 0.00 54.58 53.36 2dyy n ASN 25 Cb 0.00 -0.09 -0.05 0.00 -1.02 0.00 0.00 39.78 38.62 2dyy n ASN 25 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2dyy s PHE 26 N -1.83 3.55 -0.19 3.10 0.08 -0.10 -2.09 117.98 120.50 2dyy s PHE 26 Ca 0.34 0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.78 2dyy s PHE 26 Cb 0.20 -1.84 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 2dyy s PHE 26 CO 0.30 0.66 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.76 2dyy s LEU 27 N -1.82 2.31 -0.41 -0.37 2.96 -0.36 0.30 118.68 121.30 2dyy s LEU 27 Ca 0.26 -0.82 -0.13 0.00 -0.22 0.00 0.00 54.13 53.22 2dyy s LEU 27 Cb -0.13 -1.35 0.04 0.00 0.50 0.00 0.00 46.19 45.25 2dyy s LEU 27 CO 0.17 -0.09 0.28 -0.36 -1.32 0.00 0.00 176.35 175.02 2dyy s PHE 28 N 1.33 3.26 -0.12 5.38 0.08 0.89 -1.95 117.98 126.85 2dyy s PHE 28 Ca 0.01 -0.92 -0.14 0.00 0.12 0.00 0.00 56.93 56.00 2dyy s PHE 28 Cb -0.15 -2.68 -0.05 0.00 -0.57 0.00 0.00 43.02 39.57 2dyy s PHE 28 CO -0.10 -0.69 0.31 0.42 -0.10 0.00 0.00 175.22 175.07 2dyy s ILE 29 N 1.59 5.26 1.03 0.64 1.01 -0.83 -0.87 121.20 129.03 2dyy s ILE 29 Ca 0.03 0.60 -0.12 0.00 0.00 0.00 0.00 60.65 61.17 2dyy s ILE 29 Cb -0.21 -3.64 0.21 0.00 0.01 0.00 0.00 42.46 38.83 2dyy s ILE 29 CO 0.07 0.45 1.08 0.00 0.00 0.00 0.00 174.94 176.54 2dyy s ALA 30 N -0.01 0.58 0.18 9.38 0.00 -0.10 -3.66 121.76 128.13 2dyy s ALA 30 Ca 0.19 0.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.91 2dyy s ALA 30 Cb -0.14 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 2dyy s ALA 30 CO 0.06 -3.17 1.54 0.20 0.00 0.00 0.00 175.76 174.39 2dyy s GLY 31 N -2.80 1.72 -0.14 0.00 0.00 -1.26 -4.66 107.32 100.18 2dyy s GLY 31 Ca 0.67 1.35 -0.03 0.00 0.00 0.00 0.00 44.72 46.71 2dyy s GLY 31 CO 0.61 2.56 -0.04 1.20 0.00 0.00 0.00 173.10 177.42 2dyy s GLN 32 N 0.86 3.50 0.23 2.90 -1.52 -0.76 -4.93 119.66 119.94 2dyy s GLN 32 Ca 0.68 -0.52 0.10 0.00 -1.95 0.00 0.00 55.36 53.66 2dyy s GLN 32 Cb -0.43 -2.85 -0.04 0.00 -0.22 0.00 0.00 33.01 29.47 2dyy s GLN 32 CO 0.33 0.33 -0.07 0.96 -0.25 0.00 0.00 175.29 176.59 2dyy s ILE 33 N 0.13 3.22 0.00 1.08 -4.36 -1.26 -2.33 121.20 117.68 2dyy s ILE 33 Ca -0.01 -1.86 -0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2dyy s ILE 33 Cb -0.14 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 2dyy s ILE 33 CO 0.03 -0.26 0.94 -0.81 0.24 0.00 0.00 174.94 175.07 2dyy n PRO 34 N -0.46 0.31 -3.36 0.37 -0.04 -1.26 -4.63 135.00 125.92 2dyy n PRO 34 Ca -0.08 -0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 62.86 2dyy n PRO 34 Cb 0.58 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 2dyy n PRO 34 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2dyy s ILE 35 N 2.57 5.21 -0.49 0.52 1.01 -1.26 -1.93 121.20 126.84 2dyy s ILE 35 Ca 0.10 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.33 2dyy s ILE 35 Cb 0.05 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.76 2dyy s ILE 35 CO 0.00 0.34 1.28 -0.62 0.00 0.00 0.00 174.94 175.94 2dyy s ASP 36 N 0.60 6.41 0.56 3.58 2.15 -0.75 -4.71 116.67 124.51 2dyy s ASP 36 Ca 0.24 0.47 0.33 0.00 0.43 0.00 0.00 52.55 54.02 2dyy s ASP 36 Cb -0.15 -2.55 1.46 0.00 -0.30 0.00 0.00 42.92 41.39 2dyy s ASP 36 CO 0.09 -1.44 1.79 1.55 -0.17 0.00 0.00 175.17 176.99 2dyy h PRO 37 N 10.09 0.00 0.30 4.34 0.13 -1.87 0.29 132.00 145.28 2dyy h PRO 37 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2dyy h PRO 37 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2dyy h PRO 37 CO 1.14 0.00 -0.14 0.87 -0.23 0.00 0.00 178.00 179.63 2dyy h LYS 38 N 0.00 -0.39 0.15 0.86 6.56 -1.90 -3.38 116.57 118.48 2dyy h LYS 38 Ca 0.44 0.03 -0.30 0.00 -1.06 0.00 0.00 60.65 59.75 2dyy h LYS 38 Cb 1.96 0.09 0.01 0.00 -0.57 0.00 0.00 32.23 33.71 2dyy h LYS 38 CO -0.00 -0.08 -1.45 1.79 -2.06 0.00 0.00 179.45 177.64 2dyy h THR 39 N -0.98 1.27 0.00 -0.16 1.35 -1.85 -3.48 112.91 109.06 2dyy h THR 39 Ca -0.04 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 2dyy h THR 39 Cb 0.48 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2dyy h THR 39 CO 0.07 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 2dyy n GLY 40 N 1.65 0.75 3.86 5.82 0.00 0.97 -5.05 105.19 113.19 2dyy n GLY 40 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 2dyy n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dyy s GLU 41 N -0.62 2.97 0.22 1.61 0.41 -1.26 -4.82 118.70 117.22 2dyy s GLU 41 Ca 0.00 -1.05 -0.30 0.00 -0.41 0.00 0.00 54.97 53.20 2dyy s GLU 41 Cb 0.00 -2.61 -0.10 0.00 -1.78 0.00 0.00 34.13 29.65 2dyy s GLU 41 CO 0.00 0.33 1.42 0.42 -0.49 0.00 0.00 175.26 176.95 2dyy s ILE 42 N -2.15 2.81 0.47 -1.63 1.01 -1.26 -1.81 121.20 118.65 2dyy s ILE 42 Ca 0.35 0.66 -0.24 0.00 0.00 0.00 0.00 60.65 61.42 2dyy s ILE 42 Cb -0.08 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 2dyy s ILE 42 CO 0.26 0.09 1.28 -0.69 0.00 0.00 0.00 174.94 175.89 2dyy s VAL 43 N 0.20 2.58 0.41 2.92 1.01 -0.81 -4.87 120.40 121.84 2dyy s VAL 43 Ca 0.60 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.81 2dyy s VAL 43 Cb -0.41 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 2dyy s VAL 43 CO 0.40 0.02 1.01 -1.59 0.00 0.00 0.00 175.10 174.94 2dyy s LYS 44 N -2.62 4.18 0.00 2.72 0.00 -1.26 -4.89 119.74 117.87 2dyy s LYS 44 Ca 0.64 1.37 0.00 0.00 0.00 0.00 0.00 55.97 57.98 2dyy s LYS 44 Cb -0.36 -2.42 0.00 0.00 0.00 0.00 0.00 37.83 35.05 2dyy s LYS 44 CO 0.44 -0.10 0.00 0.41 0.00 0.00 0.00 175.35 176.10 2dyy n GLY 45 N 0.06 0.75 0.00 0.59 0.00 -1.26 -4.85 105.19 100.47 2dyy n GLY 45 Ca 0.06 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.87 2dyy n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dyy n ASP 46 N 0.86 0.00 0.30 1.61 3.85 -1.26 -4.82 116.55 117.09 2dyy n ASP 46 Ca 0.00 -0.80 0.18 0.00 -0.71 0.00 0.00 54.79 53.47 2dyy n ASP 46 Cb 0.00 0.00 0.96 0.00 -1.35 0.00 0.00 41.12 40.73 2dyy n ASP 46 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 2dyy h ILE 47 N -0.40 0.12 0.03 2.12 2.10 -1.98 -1.10 117.51 118.41 2dyy h ILE 47 Ca 0.00 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.71 2dyy h ILE 47 Cb 0.00 0.82 -0.00 0.00 -1.09 0.00 0.00 36.82 36.55 2dyy h ILE 47 CO 0.00 0.00 -1.00 0.50 -1.08 0.00 0.00 178.15 176.57 2dyy h LYS 48 N 0.00 0.30 0.00 2.19 3.64 -1.99 -0.94 116.57 119.77 2dyy h LYS 48 Ca 0.02 -0.36 -0.08 0.00 -1.27 0.00 0.00 60.65 58.96 2dyy h LYS 48 Cb 0.41 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2dyy h LYS 48 CO -0.00 1.08 -0.54 -0.44 -2.27 0.00 0.00 179.45 177.28 2dyy h ASP 49 N 0.15 0.00 0.38 4.20 3.45 -1.56 -2.70 116.42 120.34 2dyy h ASP 49 Ca -0.08 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.08 2dyy h ASP 49 Cb 1.65 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 40.45 2dyy h ASP 49 CO 0.16 0.38 -1.31 1.56 -1.57 0.00 0.00 179.24 178.46 2dyy h GLN 50 N 0.00 0.45 0.24 3.56 4.20 -1.37 -2.65 115.11 119.53 2dyy h GLN 50 Ca -0.02 -0.70 -0.01 0.00 0.06 0.00 0.00 58.65 57.97 2dyy h GLN 50 Cb 1.31 0.25 0.00 0.00 0.30 0.00 0.00 27.48 29.34 2dyy h GLN 50 CO 0.05 1.32 -0.12 1.15 -0.67 0.00 0.00 178.83 180.56 2dyy h THR 51 N 0.15 0.82 -0.27 -0.54 2.02 -1.19 -0.93 112.91 112.96 2dyy h THR 51 Ca -0.19 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.70 2dyy h THR 51 Cb 2.00 1.02 -0.08 0.00 -1.74 0.00 0.00 68.15 69.36 2dyy h THR 51 CO 0.23 0.08 -0.34 -0.09 0.37 0.00 0.00 175.52 175.77 2dyy h ARG 52 N -0.51 -0.33 -0.29 6.66 2.43 -1.57 -0.75 114.38 120.02 2dyy h ARG 52 Ca -0.03 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2dyy h ARG 52 Cb 0.38 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.94 2dyy h ARG 52 CO 0.05 -0.22 -0.15 0.37 -1.51 0.00 0.00 179.97 178.52 2dyy h GLN 53 N -0.34 -0.10 -0.02 0.20 5.75 -1.34 -0.25 115.11 119.01 2dyy h GLN 53 Ca 0.13 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.67 2dyy h GLN 53 Cb 0.55 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.09 2dyy h GLN 53 CO -0.46 -0.07 -0.21 0.28 -2.65 0.00 0.00 178.83 175.73 2dyy h VAL 54 N -0.11 0.50 -0.47 2.39 2.07 -0.39 -1.04 116.25 119.21 2dyy h VAL 54 Ca 0.15 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2dyy h VAL 54 Cb 0.34 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2dyy h VAL 54 CO -0.36 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.43 2dyy h LEU 55 N -0.32 0.55 -0.27 2.57 3.38 -0.84 -1.39 115.31 118.98 2dyy h LEU 55 Ca 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dyy h LEU 55 Cb 0.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2dyy h LEU 55 CO -0.21 0.44 0.09 -0.33 0.09 0.00 0.00 178.44 178.52 2dyy h GLU 56 N 0.64 0.41 -0.37 1.13 5.08 -0.29 -1.08 114.58 120.10 2dyy h GLU 56 Ca 0.17 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2dyy h GLU 56 Cb -0.01 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2dyy h GLU 56 CO -0.03 0.46 0.21 -0.91 -1.00 0.00 0.00 179.01 177.74 2dyy h ASN 57 N 0.28 0.35 -0.37 1.42 2.35 -0.63 -1.42 115.58 117.55 2dyy h ASN 57 Ca 0.09 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.90 2dyy h ASN 57 Cb 0.21 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 2dyy h ASN 57 CO -0.00 0.25 0.05 0.40 -1.65 0.00 0.00 177.43 176.48 2dyy h ILE 58 N 0.44 0.79 -0.97 2.81 2.04 -1.03 -1.18 117.51 120.41 2dyy h ILE 58 Ca 0.15 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 66.04 2dyy h ILE 58 Cb 0.01 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 2dyy h ILE 58 CO -0.07 0.03 0.62 0.50 0.00 0.00 0.00 178.15 179.23 2dyy h LYS 59 N 0.17 1.00 -0.03 2.37 3.64 -0.70 0.06 116.57 123.07 2dyy h LYS 59 Ca 0.18 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2dyy h LYS 59 Cb 0.22 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2dyy h LYS 59 CO -0.25 0.66 0.02 0.00 -2.27 0.00 0.00 179.45 177.61 2dyy h ALA 60 N 1.52 0.04 -0.79 5.00 0.00 -0.17 -1.25 119.26 123.60 2dyy h ALA 60 Ca 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2dyy h ALA 60 Cb 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2dyy h ALA 60 CO -0.21 -0.42 0.39 0.82 0.00 0.00 0.00 179.25 179.84 2dyy h ILE 61 N -0.03 1.24 0.28 0.00 2.04 -0.68 -2.28 117.51 118.08 2dyy h ILE 61 Ca 0.01 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 2dyy h ILE 61 Cb 0.08 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2dyy h ILE 61 CO -0.00 0.28 -0.13 -0.07 0.00 0.00 0.00 178.15 178.23 2dyy h LEU 62 N 1.11 -0.32 -1.34 1.44 3.38 -0.63 -2.86 115.31 116.09 2dyy h LEU 62 Ca 0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2dyy h LEU 62 Cb 0.08 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2dyy h LEU 62 CO -0.04 -0.21 0.34 -0.33 0.09 0.00 0.00 178.44 178.29 2dyy h GLU 63 N -0.40 0.78 0.00 1.13 5.08 -1.10 -0.47 114.58 119.59 2dyy h GLU 63 Ca -0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2dyy h GLU 63 Cb 0.31 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2dyy h GLU 63 CO 0.06 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 2dyy n ALA 64 N -2.45 1.69 0.13 3.43 0.00 -0.87 -1.83 120.51 120.61 2dyy n ALA 64 Ca 0.05 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2dyy n ALA 64 Cb 0.08 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.35 2dyy n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dyy n ALA 65 N -1.69 2.35 -1.24 0.00 0.00 -0.57 -4.83 120.51 114.53 2dyy n ALA 65 Ca 0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 53.44 52.46 2dyy n ALA 65 Cb 0.22 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 2dyy n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dyy n GLY 66 N 1.01 0.51 3.86 0.00 0.00 -0.76 -5.04 105.19 104.77 2dyy n GLY 66 Ca 0.14 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 2dyy n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dyy s TYR 67 N -2.09 2.67 0.21 1.61 2.02 -0.29 -5.01 117.35 116.47 2dyy s TYR 67 Ca 0.00 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.27 2dyy s TYR 67 Cb 0.00 -2.14 -0.05 0.00 -0.40 0.00 0.00 41.96 39.37 2dyy s TYR 67 CO 0.00 -0.09 -0.14 0.45 -1.57 0.00 0.00 175.55 174.20 2dyy s SER 68 N -4.10 2.62 0.61 2.29 0.15 -1.26 -3.73 113.70 110.28 2dyy s SER 68 Ca 0.47 -1.03 0.37 0.00 0.70 0.00 0.00 55.95 56.46 2dyy s SER 68 Cb -0.02 -0.14 1.98 0.00 -1.71 0.00 0.00 66.02 66.13 2dyy s SER 68 CO 0.27 -0.17 2.24 -0.07 1.20 0.00 0.00 173.24 176.71 2dyy h LEU 69 N 2.54 0.00 0.00 3.45 3.38 -1.95 0.32 115.31 123.05 2dyy h LEU 69 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2dyy h LEU 69 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2dyy h LEU 69 CO 0.62 0.02 0.00 -3.20 0.09 0.00 0.00 178.44 175.97 2dyy n ASN 70 N -3.33 0.00 0.10 -0.43 5.15 -1.26 -3.10 115.26 112.39 2dyy n ASN 70 Ca -0.02 0.26 0.11 0.00 -0.60 0.00 0.00 54.58 54.32 2dyy n ASN 70 Cb 0.14 -0.41 -0.00 0.00 -0.53 0.00 0.00 39.78 38.98 2dyy n ASN 70 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2dyy h ASP 71 N 0.00 0.00 -2.22 1.20 3.45 -0.61 -3.41 116.42 114.82 2dyy h ASP 71 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 2dyy h ASP 71 Cb 0.34 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.12 2dyy h ASP 71 CO 0.00 0.04 1.23 0.52 -1.57 0.00 0.00 179.24 179.46 2dyy n VAL 72 N -2.70 0.68 0.17 -1.35 0.31 -1.18 -0.60 118.33 113.67 2dyy n VAL 72 Ca -0.01 -0.16 0.06 0.00 -0.01 0.00 0.00 64.34 64.22 2dyy n VAL 72 Cb 0.57 -2.23 -0.09 0.00 -0.91 0.00 0.00 33.84 31.18 2dyy n VAL 72 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2dyy n ILE 73 N 5.69 0.00 -3.72 2.52 -5.35 0.13 -4.28 119.36 114.35 2dyy n ILE 73 Ca 0.22 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.31 2dyy n ILE 73 Cb 0.38 0.46 -0.10 0.00 -1.74 0.00 0.00 39.64 38.64 2dyy n ILE 73 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2dyy s LYS 74 N -2.65 0.45 -0.05 6.28 2.47 -1.10 -1.69 119.74 123.46 2dyy s LYS 74 Ca -0.02 0.64 0.02 0.00 -1.56 0.00 0.00 55.97 55.06 2dyy s LYS 74 Cb 0.08 0.15 0.01 0.00 -1.46 0.00 0.00 37.83 36.61 2dyy s LYS 74 CO 0.52 -0.09 -0.11 0.08 0.16 0.00 0.00 175.35 175.91 2dyy s VAL 75 N 0.60 1.01 -0.18 4.02 1.01 0.01 -1.75 120.40 125.12 2dyy s VAL 75 Ca -0.03 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2dyy s VAL 75 Cb -0.05 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.44 2dyy s VAL 75 CO -0.04 0.32 -0.18 -0.89 0.00 0.00 0.00 175.10 174.31 2dyy s THR 76 N 0.46 1.95 -0.22 3.92 2.01 -0.61 -1.68 115.64 121.48 2dyy s THR 76 Ca -0.09 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 2dyy s THR 76 Cb -0.13 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.58 2dyy s THR 76 CO 0.02 0.47 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.65 2dyy s VAL 77 N 1.32 2.99 -0.20 3.82 1.01 -0.21 -0.47 120.40 128.66 2dyy s VAL 77 Ca 0.04 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2dyy s VAL 77 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2dyy s VAL 77 CO -0.12 0.41 0.10 -0.31 0.00 0.00 0.00 175.10 175.18 2dyy s TYR 78 N 1.41 3.33 0.23 5.22 1.51 0.90 -2.22 117.35 127.73 2dyy s TYR 78 Ca 0.05 0.20 0.11 0.00 -1.01 0.00 0.00 57.07 56.42 2dyy s TYR 78 Cb -0.14 -2.13 -0.05 0.00 -0.11 0.00 0.00 41.96 39.53 2dyy s TYR 78 CO -0.06 0.21 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.88 2dyy s LEU 79 N 0.43 2.52 -0.12 -1.29 1.43 -0.45 -1.01 118.68 120.18 2dyy s LEU 79 Ca 0.06 -0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 52.16 2dyy s LEU 79 Cb -0.12 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 2dyy s LEU 79 CO -0.01 0.03 -0.00 0.50 0.23 0.00 0.00 176.35 177.10 2dyy h LYS 80 N 2.73 0.00 0.00 1.70 3.64 -1.72 0.46 116.57 123.38 2dyy h LYS 80 Ca -0.42 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.83 2dyy h LYS 80 Cb 1.23 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.95 2dyy h LYS 80 CO 0.55 0.07 -0.17 -0.25 -2.27 0.00 0.00 179.45 177.38 2dyy n ASP 81 N -4.72 -1.11 0.00 4.20 9.92 -1.26 -3.79 116.55 119.78 2dyy n ASP 81 Ca -0.03 -1.89 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 2dyy n ASP 81 Cb 0.11 0.57 0.00 0.00 -0.64 0.00 0.00 41.12 41.16 2dyy n ASP 81 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2dyy n ASN 89 N -0.95 0.00 0.27 -2.24 5.15 -1.26 -5.14 115.26 111.09 2dyy n ASN 89 Ca -0.12 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.00 2dyy n ASN 89 Cb 0.76 0.00 0.84 0.00 -0.53 0.00 0.00 39.78 40.85 2dyy n ASN 89 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 2dyy h GLU 90 N 0.00 0.00 -0.99 1.20 4.11 -2.05 -2.49 114.58 114.36 2dyy h GLU 90 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.52 2dyy h GLU 90 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2dyy h GLU 90 CO 0.00 0.00 0.63 0.28 0.07 0.00 0.00 179.01 179.99 2dyy h VAL 91 N 0.00 1.02 -0.23 -1.06 2.07 -2.01 -2.36 116.25 113.69 2dyy h VAL 91 Ca 0.01 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 2dyy h VAL 91 Cb 0.07 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 2dyy h VAL 91 CO -0.00 0.20 -0.25 1.88 0.02 0.00 0.00 177.57 179.42 2dyy h TYR 92 N 1.08 0.48 -0.21 1.57 0.05 -1.88 -2.88 116.97 115.18 2dyy h TYR 92 Ca 0.45 -0.10 -0.13 0.00 0.05 0.00 0.00 58.73 59.01 2dyy h TYR 92 Cb 0.29 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 2dyy h TYR 92 CO -0.01 0.65 -0.41 0.00 -1.05 0.00 0.00 178.16 177.34 2dyy h ALA 93 N 1.36 0.90 -0.42 3.88 0.00 -1.55 0.14 119.26 123.57 2dyy h ALA 93 Ca 0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2dyy h ALA 93 Cb 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2dyy h ALA 93 CO 0.05 0.64 0.19 0.93 0.00 0.00 0.00 179.25 181.05 2dyy h GLU 94 N 0.41 0.61 0.00 0.00 5.08 -1.30 0.46 114.58 119.84 2dyy h GLU 94 Ca 0.04 -0.10 -0.25 0.00 -1.00 0.00 0.00 59.36 58.05 2dyy h GLU 94 Cb 0.89 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 2dyy h GLU 94 CO 0.08 0.54 -1.40 1.88 -1.00 0.00 0.00 179.01 179.11 2dyy h TYR 95 N 0.53 0.00 0.00 4.33 0.05 -1.48 -3.41 116.97 117.00 2dyy h TYR 95 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 2dyy h TYR 95 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2dyy h TYR 95 CO -0.01 0.98 -0.01 1.19 -1.05 0.00 0.00 178.16 179.26 2dyy n PHE 96 N -3.16 0.00 0.37 4.88 3.72 0.48 -4.71 117.46 119.04 2dyy n PHE 96 Ca -0.10 -0.45 0.14 0.00 -0.05 0.00 0.00 57.45 56.99 2dyy n PHE 96 Cb 1.00 -0.05 0.53 0.00 -0.94 0.00 0.00 39.48 40.01 2dyy n PHE 96 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2dyy h GLY 97 N 0.00 0.00 0.42 1.37 0.00 -1.00 0.66 103.07 104.52 2dyy h GLY 97 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2dyy h GLY 97 CO 0.00 0.00 -2.14 1.18 0.00 0.00 0.00 176.54 175.58 2dyy n GLU 98 N -2.56 0.69 -0.01 4.80 1.02 -1.26 -4.46 120.64 118.85 2dyy n GLU 98 Ca 0.02 0.19 -0.06 0.00 -0.02 0.00 0.00 57.16 57.29 2dyy n GLU 98 Cb 0.29 -1.64 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 2dyy n GLU 98 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2dyy n SER 99 N -3.21 0.87 -3.92 1.62 3.41 -1.20 -4.90 113.62 106.28 2dyy n SER 99 Ca -0.33 0.41 -0.38 0.00 -0.26 0.00 0.00 58.87 58.31 2dyy n SER 99 Cb 1.05 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 65.01 2dyy n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dyy n LYS 100 N -3.00 -0.73 -1.33 4.33 5.02 0.22 -4.92 118.16 117.75 2dyy n LYS 100 Ca -0.15 0.34 -0.30 0.00 -2.02 0.00 0.00 58.31 56.18 2dyy n LYS 100 Cb 1.00 -2.79 0.12 0.00 -0.02 0.00 0.00 35.03 33.34 2dyy n LYS 100 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2dyy s PRO 101 N -6.49 1.58 0.25 1.97 0.02 -1.26 -5.01 135.00 126.05 2dyy s PRO 101 Ca 0.36 0.77 -0.30 0.00 0.02 0.00 0.00 61.00 61.85 2dyy s PRO 101 Cb -0.18 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 2dyy s PRO 101 CO 0.93 -2.01 1.07 0.00 -0.33 0.00 0.00 177.00 176.66 2dyy s ALA 102 N -3.01 3.39 -0.03 -1.55 0.00 -0.68 -4.84 121.76 115.04 2dyy s ALA 102 Ca 0.62 0.83 0.08 0.00 0.00 0.00 0.00 51.96 53.49 2dyy s ALA 102 Cb -0.17 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2dyy s ALA 102 CO 0.56 -0.11 -0.26 0.50 0.00 0.00 0.00 175.76 176.46 2dyy s ARG 103 N -1.13 2.17 -0.06 0.00 3.52 -1.26 -0.81 118.95 121.38 2dyy s ARG 103 Ca 0.45 -0.92 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 2dyy s ARG 103 Cb -0.30 -2.04 0.01 0.00 -1.56 0.00 0.00 34.95 31.05 2dyy s ARG 103 CO 0.38 0.52 -0.15 0.08 -0.81 0.00 0.00 175.30 175.32 2dyy s VAL 104 N -0.52 1.31 -0.05 7.11 1.01 -0.68 -5.00 120.40 123.58 2dyy s VAL 104 Ca 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 2dyy s VAL 104 Cb -0.11 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.15 2dyy s VAL 104 CO -0.00 0.39 0.10 0.00 0.00 0.00 0.00 175.10 175.58 2dyy s ALA 105 N 0.46 -0.09 0.15 5.51 0.00 -1.26 -1.05 121.76 125.48 2dyy s ALA 105 Ca -0.12 0.50 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 2dyy s ALA 105 Cb -0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2dyy s ALA 105 CO 0.04 -0.18 0.21 0.14 0.00 0.00 0.00 175.76 175.97 2dyy s VAL 106 N 1.24 0.08 -0.10 0.00 -7.23 -0.94 -5.01 120.40 108.45 2dyy s VAL 106 Ca -0.08 -1.55 -0.00 0.00 -1.81 0.00 0.00 61.98 58.53 2dyy s VAL 106 Cb -0.12 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2dyy s VAL 106 CO -0.05 -0.37 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.70 2dyy s GLU 107 N -3.99 3.05 0.37 4.82 2.02 -1.26 -1.34 118.70 122.37 2dyy s GLU 107 Ca 0.19 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 54.67 2dyy s GLU 107 Cb 0.05 -2.67 -0.07 0.00 0.10 0.00 0.00 34.13 31.53 2dyy s GLU 107 CO 0.00 0.51 0.04 0.14 0.02 0.00 0.00 175.26 175.97 2dyy s VAL 108 N -0.38 1.54 0.11 2.63 -7.23 0.16 -4.92 120.40 112.31 2dyy s VAL 108 Ca 0.05 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.01 2dyy s VAL 108 Cb -0.12 -2.86 -0.09 0.00 0.56 0.00 0.00 36.38 33.87 2dyy s VAL 108 CO 0.02 0.00 1.72 0.28 -0.31 0.00 0.00 175.10 176.81 2dyy h SER 109 N 1.93 -0.11 -4.65 4.85 0.02 -1.86 -3.40 113.55 110.31 2dyy h SER 109 Ca -0.42 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 60.64 2dyy h SER 109 Cb 1.25 0.07 -0.16 0.00 0.14 0.00 0.00 62.40 63.70 2dyy h SER 109 CO 0.75 -0.05 0.45 0.00 -1.14 0.00 0.00 176.83 176.84 2dyy s ARG 110 N -6.19 0.87 0.45 3.45 1.70 -1.26 -4.96 118.95 113.00 2dyy s ARG 110 Ca -0.13 -0.25 0.07 0.00 -0.47 0.00 0.00 55.73 54.94 2dyy s ARG 110 Cb 0.08 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.84 2dyy s ARG 110 CO 0.67 -0.37 0.29 -0.51 -1.08 0.00 0.00 175.30 174.31 2dyy s LEU 111 N -2.31 3.08 0.67 -1.89 1.43 -1.26 -5.05 118.68 113.35 2dyy s LEU 111 Ca 0.03 -1.03 -0.17 0.00 -1.03 0.00 0.00 54.13 51.93 2dyy s LEU 111 Cb -0.01 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.67 2dyy s LEU 111 CO -0.08 -0.72 1.24 -2.84 0.23 0.00 0.00 176.35 174.18 2dyy s PRO 112 N -4.07 2.46 -1.44 1.29 0.02 -1.26 -2.05 135.00 129.95 2dyy s PRO 112 Ca 0.41 1.90 -0.15 0.00 0.02 0.00 0.00 61.00 63.17 2dyy s PRO 112 Cb 0.00 -1.86 0.13 0.00 0.02 0.00 0.00 34.50 32.80 2dyy s PRO 112 CO 0.23 -1.63 0.58 1.63 -0.33 0.00 0.00 177.00 177.49 2dyy n LYS 113 N -2.18 -2.75 -3.95 5.54 5.02 -1.26 -1.90 118.16 116.67 2dyy n LYS 113 Ca 0.14 0.33 -0.31 0.00 -2.02 0.00 0.00 58.31 56.45 2dyy n LYS 113 Cb 0.49 -5.00 -0.07 0.00 -0.02 0.00 0.00 35.03 30.43 2dyy n LYS 113 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2dyy n ASP 114 N -2.39 -0.71 -4.23 4.39 2.03 -0.87 -4.94 116.55 109.83 2dyy n ASP 114 Ca 0.05 -1.01 -0.30 0.00 0.52 0.00 0.00 54.79 54.05 2dyy n ASP 114 Cb 0.50 -1.28 0.18 0.00 -0.72 0.00 0.00 41.12 39.79 2dyy n ASP 114 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2dyy s VAL 115 N -3.25 1.97 -0.70 5.18 -7.23 -0.80 -4.88 120.40 110.68 2dyy s VAL 115 Ca 0.45 0.00 0.23 0.00 -1.81 0.00 0.00 61.98 60.84 2dyy s VAL 115 Cb -0.26 -2.95 -0.15 0.00 0.56 0.00 0.00 36.38 33.58 2dyy s VAL 115 CO 0.82 0.00 0.99 0.18 -0.31 0.00 0.00 175.10 176.78 2dyy n LEU 116 N -3.79 0.64 -3.63 1.32 4.77 -1.26 -4.27 117.00 110.78 2dyy n LEU 116 Ca 0.14 -0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2dyy n LEU 116 Cb 0.60 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 2dyy n LEU 116 CO 0.48 0.10 0.38 -0.51 -1.33 0.00 0.00 177.39 176.51 2dyy s ILE 117 N -3.15 0.00 -0.02 -0.08 2.07 -1.26 -2.74 121.20 116.02 2dyy s ILE 117 Ca 0.05 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.31 2dyy s ILE 117 Cb 0.15 -0.95 -0.00 0.00 0.13 0.00 0.00 42.46 41.79 2dyy s ILE 117 CO 0.82 -0.00 -0.09 -0.70 -1.91 0.00 0.00 174.94 173.06 2dyy s GLU 118 N 0.23 0.81 -0.08 3.50 2.12 -0.18 -4.37 118.70 120.73 2dyy s GLU 118 Ca -0.01 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.03 2dyy s GLU 118 Cb -0.04 -0.77 0.02 0.00 0.26 0.00 0.00 34.13 33.59 2dyy s GLU 118 CO 0.02 0.15 -0.08 0.42 -0.54 0.00 0.00 175.26 175.23 2dyy s ILE 119 N -0.01 0.91 0.26 -3.70 1.01 -0.98 -0.07 121.20 118.62 2dyy s ILE 119 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.45 2dyy s ILE 119 Cb -0.06 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2dyy s ILE 119 CO -0.00 0.32 0.14 -1.83 0.00 0.00 0.00 174.94 173.57 2dyy s GLU 120 N 1.20 2.69 0.13 2.79 -1.05 0.38 -1.83 118.70 123.00 2dyy s GLU 120 Ca -0.05 -1.20 -0.21 0.00 -0.15 0.00 0.00 54.97 53.35 2dyy s GLU 120 Cb -0.14 -2.41 0.06 0.00 -0.44 0.00 0.00 34.13 31.19 2dyy s GLU 120 CO -0.02 0.36 0.53 0.00 0.95 0.00 0.00 175.26 177.08 2dyy s ALA 121 N -2.22 -1.36 -0.02 -0.84 0.00 -1.24 -1.57 121.76 114.52 2dyy s ALA 121 Ca 0.33 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.66 2dyy s ALA 121 Cb -0.07 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 2dyy s ALA 121 CO 0.23 -0.69 -0.09 0.42 0.00 0.00 0.00 175.76 175.63 2dyy s ILE 122 N -3.56 0.77 0.12 0.00 1.01 -0.72 -1.96 121.20 116.86 2dyy s ILE 122 Ca 0.01 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.35 2dyy s ILE 122 Cb -0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2dyy s ILE 122 CO -0.11 0.23 -0.15 0.00 0.00 0.00 0.00 174.94 174.91 2dyy s ALA 123 N 0.06 1.53 0.02 9.38 0.00 -0.82 0.20 121.76 132.13 2dyy s ALA 123 Ca -0.01 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.72 2dyy s ALA 123 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2dyy s ALA 123 CO 0.00 0.15 -0.10 -0.47 0.00 0.00 0.00 175.76 175.33 2dyy s TYR 124 N -1.92 0.92 -0.21 0.00 5.04 0.23 -1.23 117.35 120.18 2dyy s TYR 124 Ca 0.08 -0.28 -0.06 0.00 -2.44 0.00 0.00 57.07 54.37 2dyy s TYR 124 Cb -0.06 -0.57 0.10 0.00 0.35 0.00 0.00 41.96 41.78 2dyy s TYR 124 CO 0.03 -0.01 0.43 0.21 -1.34 0.00 0.00 175.55 174.88 2dyy s LYS 125 N -0.78 0.34 0.00 4.97 2.20 -0.89 -4.65 119.74 120.94 2dyy s LYS 125 Ca 0.00 0.98 0.31 0.00 -0.36 0.00 0.00 55.97 56.90 2dyy s LYS 125 Cb -0.06 0.25 1.61 0.00 -1.51 0.00 0.00 37.83 38.12 2dyy s LYS 125 CO 0.00 -0.31 2.06 -0.85 -0.36 0.00 0.00 175.35 175.89