#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 4.20 -0.18 2.12 2.20 -1.26 -2.98 119.74 123.83 2dyy s LYS 2 Ca 0.00 0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 56.23 2dyy s LYS 2 Cb 0.00 -3.20 0.06 0.00 -1.51 0.00 0.00 37.83 33.17 2dyy s LYS 2 CO 0.00 0.62 0.46 -2.00 -0.36 0.00 0.00 175.35 174.07 2dyy s GLU 3 N -1.21 0.48 -0.05 4.03 2.12 -0.34 -4.99 118.70 118.74 2dyy s GLU 3 Ca 0.30 0.80 -0.23 0.00 0.36 0.00 0.00 54.97 56.21 2dyy s GLU 3 Cb -0.19 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 2dyy s GLU 3 CO 0.19 -0.13 0.68 0.14 -0.54 0.00 0.00 175.26 175.60 2dyy s VAL 4 N 1.09 4.99 -0.20 3.70 -7.23 -1.26 -0.68 120.40 120.81 2dyy s VAL 4 Ca -0.07 1.41 -0.09 0.00 -1.81 0.00 0.00 61.98 61.43 2dyy s VAL 4 Cb -0.06 -4.02 -0.04 0.00 0.56 0.00 0.00 36.38 32.81 2dyy s VAL 4 CO -0.10 0.30 0.10 -0.63 -0.31 0.00 0.00 175.10 174.46 2dyy s ILE 5 N 0.53 5.05 -0.01 -0.62 1.09 -0.11 -4.96 121.20 122.17 2dyy s ILE 5 Ca 0.36 0.06 0.02 0.00 -1.10 0.00 0.00 60.65 59.99 2dyy s ILE 5 Cb -0.18 -3.30 -0.00 0.00 -1.06 0.00 0.00 42.46 37.92 2dyy s ILE 5 CO 0.18 0.43 -0.05 0.12 -0.10 0.00 0.00 174.94 175.52 2dyy s PHE 6 N 0.54 0.49 0.02 3.97 5.36 -1.26 -3.66 117.98 123.44 2dyy s PHE 6 Ca 0.05 -0.09 -0.05 0.00 -0.96 0.00 0.00 56.93 55.88 2dyy s PHE 6 Cb -0.12 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.21 2dyy s PHE 6 CO 0.00 -0.03 0.08 -0.08 -1.46 0.00 0.00 175.22 173.74 2dyy s THR 7 N 0.03 0.11 -0.41 0.12 -1.32 -1.26 -5.01 115.64 107.89 2dyy s THR 7 Ca 0.00 -0.89 0.22 0.00 -1.21 0.00 0.00 61.69 59.82 2dyy s THR 7 Cb -0.04 -0.56 0.31 0.00 -1.51 0.00 0.00 72.50 70.70 2dyy s THR 7 CO -0.00 -0.49 1.59 -0.33 -2.21 0.00 0.00 174.62 173.18 2dyy h GLU 8 N 4.14 0.00 -0.10 7.08 4.39 -1.99 -3.27 114.58 124.84 2dyy h GLU 8 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2dyy h GLU 8 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2dyy h GLU 8 CO 0.44 0.04 0.00 0.09 -1.16 0.00 0.00 179.01 178.42 2dyy n ASN 9 N -3.10 0.69 -4.25 1.42 3.02 -1.26 -4.82 115.26 106.95 2dyy n ASN 9 Ca 0.04 -1.75 -0.19 0.00 -0.03 0.00 0.00 54.58 52.65 2dyy n ASN 9 Cb 0.55 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.87 1.56 0.35 5.41 0.00 -1.23 -4.77 121.76 121.20 2dyy s ALA 10 Ca 0.20 -1.30 -0.28 0.00 0.00 0.00 0.00 51.96 50.57 2dyy s ALA 10 Cb 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 23.12 23.00 2dyy s ALA 10 CO 0.15 0.13 1.37 -2.30 0.00 0.00 0.00 175.76 175.11 2dyy n PRO 11 N 0.55 2.32 -2.33 0.00 -0.02 -1.26 -4.87 135.00 129.39 2dyy n PRO 11 Ca -0.16 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2dyy n PRO 11 Cb 0.57 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2dyy n PRO 11 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2dyy s LYS 12 N -1.84 4.41 0.20 -0.52 2.36 -1.26 -4.96 119.74 118.13 2dyy s LYS 12 Ca 0.56 1.90 -0.30 0.00 -2.55 0.00 0.00 55.97 55.57 2dyy s LYS 12 Cb -0.54 -3.29 -0.09 0.00 -1.05 0.00 0.00 37.83 32.87 2dyy s LYS 12 CO 0.62 -0.28 1.30 -1.25 1.55 0.00 0.00 175.35 177.29 2dyy s PRO 13 N 0.76 4.39 -0.36 4.03 0.04 -1.26 -5.00 135.00 137.61 2dyy s PRO 13 Ca 0.59 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.53 2dyy s PRO 13 Cb -0.33 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 2dyy s PRO 13 CO 0.31 -0.25 0.33 0.42 0.04 0.00 0.00 177.00 177.86 2dyy s ILE 14 N 0.12 5.20 0.00 0.56 -1.09 -1.26 -4.90 121.20 119.84 2dyy s ILE 14 Ca 0.57 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 2dyy s ILE 14 Cb -0.36 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 2dyy s ILE 14 CO 0.38 -0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 2dyy n GLY 15 N 5.03 -1.20 2.09 6.18 0.00 -1.26 -4.66 105.19 111.37 2dyy n GLY 15 Ca -0.10 -2.11 -0.07 0.00 0.00 0.00 0.00 46.02 43.73 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 1.30 -4.36 1.61 -0.04 -1.26 -4.83 135.00 127.43 2dyy n PRO 16 Ca 0.00 -0.61 -0.19 0.00 -0.04 0.00 0.00 63.50 62.66 2dyy n PRO 16 Cb 0.00 -1.76 -0.09 0.00 -0.04 0.00 0.00 33.50 31.61 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 1.48 1.63 0.18 0.54 1.51 -1.26 -5.18 117.35 116.25 2dyy s TYR 17 Ca 0.41 -1.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.19 2dyy s TYR 17 Cb 0.19 -0.91 -0.05 0.00 -0.11 0.00 0.00 41.96 41.08 2dyy s TYR 17 CO 0.00 -0.45 -0.06 -1.12 -1.11 0.00 0.00 175.55 172.81 2dyy s SER 18 N -3.39 1.77 0.12 2.29 0.01 -1.26 -4.85 113.70 108.39 2dyy s SER 18 Ca 0.35 -1.09 -0.16 0.00 1.31 0.00 0.00 55.95 56.36 2dyy s SER 18 Cb 0.05 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 2dyy s SER 18 CO 0.17 -0.40 1.59 1.56 0.41 0.00 0.00 173.24 176.56 2dyy h GLN 19 N 2.68 0.61 -2.75 12.44 4.20 -1.93 -3.41 115.11 126.94 2dyy h GLN 19 Ca -0.37 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.21 2dyy h GLN 19 Cb 1.20 -0.07 -0.12 0.00 0.30 0.00 0.00 27.48 28.79 2dyy h GLN 19 CO 0.64 0.69 0.31 0.00 -0.67 0.00 0.00 178.83 179.79 2dyy s ALA 20 N -5.16 -1.63 -0.02 3.87 0.00 -1.24 -0.41 121.76 117.18 2dyy s ALA 20 Ca -0.13 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2dyy s ALA 20 Cb 0.09 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.97 2dyy s ALA 20 CO 0.77 -0.79 -0.01 0.42 0.00 0.00 0.00 175.76 176.14 2dyy s ILE 21 N -3.56 0.24 -0.31 0.00 1.01 -0.12 -0.94 121.20 117.53 2dyy s ILE 21 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 2dyy s ILE 21 Cb -0.02 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 2dyy s ILE 21 CO -0.09 0.14 0.28 -0.75 0.00 0.00 0.00 174.94 174.52 2dyy s LYS 22 N 0.72 3.77 -0.25 2.79 2.20 0.14 -0.26 119.74 128.85 2dyy s LYS 22 Ca -0.07 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 2dyy s LYS 22 Cb -0.11 -3.73 0.06 0.00 -1.51 0.00 0.00 37.83 32.55 2dyy s LYS 22 CO -0.01 -0.34 -0.06 0.00 -0.36 0.00 0.00 175.35 174.58 2dyy s ALA 23 N 1.88 2.25 0.00 3.13 0.00 0.24 -1.20 121.76 128.06 2dyy s ALA 23 Ca 0.10 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2dyy s ALA 23 Cb -0.16 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2dyy s ALA 23 CO 0.11 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2dyy n GLY 24 N 4.55 2.29 0.56 0.00 0.00 -1.16 -1.72 105.19 109.71 2dyy n GLY 24 Ca -0.11 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 2.88 1.69 -4.87 1.61 3.02 -1.26 -4.81 115.26 113.53 2dyy n ASN 25 Ca 0.00 -1.71 -0.36 0.00 -0.03 0.00 0.00 54.58 52.49 2dyy n ASN 25 Cb 0.00 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 2dyy n ASN 25 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2dyy s PHE 26 N -1.79 3.55 -0.25 3.10 0.08 -0.70 -2.16 117.98 119.80 2dyy s PHE 26 Ca 0.33 0.46 -0.01 0.00 0.12 0.00 0.00 56.93 57.83 2dyy s PHE 26 Cb 0.18 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.76 2dyy s PHE 26 CO 0.27 0.70 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.84 2dyy s LEU 27 N -1.24 3.23 -0.39 -0.37 2.96 -0.11 -0.59 118.68 122.16 2dyy s LEU 27 Ca 0.18 -0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 52.96 2dyy s LEU 27 Cb -0.12 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.95 2dyy s LEU 27 CO 0.07 -0.14 0.28 -0.36 -1.32 0.00 0.00 176.35 174.88 2dyy s PHE 28 N 1.28 3.24 -0.13 5.38 0.08 0.65 -1.07 117.98 127.40 2dyy s PHE 28 Ca -0.02 -0.56 -0.15 0.00 0.12 0.00 0.00 56.93 56.32 2dyy s PHE 28 Cb -0.17 -2.56 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 2dyy s PHE 28 CO -0.05 -0.56 0.35 0.42 -0.10 0.00 0.00 175.22 175.29 2dyy s ILE 29 N 1.68 5.25 0.73 0.64 1.01 -0.57 -0.95 121.20 128.99 2dyy s ILE 29 Ca 0.05 0.69 -0.12 0.00 0.00 0.00 0.00 60.65 61.27 2dyy s ILE 29 Cb -0.19 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.63 2dyy s ILE 29 CO 0.10 0.40 1.09 0.00 0.00 0.00 0.00 174.94 176.52 2dyy s ALA 30 N 0.32 2.36 0.36 9.38 0.00 0.45 -3.65 121.76 130.99 2dyy s ALA 30 Ca 0.20 0.32 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 2dyy s ALA 30 Cb -0.14 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 2dyy s ALA 30 CO 0.07 -1.57 1.51 0.41 0.00 0.00 0.00 175.76 176.19 2dyy n GLY 31 N -1.11 1.23 3.50 0.00 0.00 -1.26 -4.69 105.19 102.86 2dyy n GLY 31 Ca 0.09 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 2dyy n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dyy s GLN 32 N -1.76 2.25 0.29 1.61 -1.52 0.50 -4.90 119.66 116.13 2dyy s GLN 32 Ca 0.55 -0.88 0.11 0.00 -1.95 0.00 0.00 55.36 53.20 2dyy s GLN 32 Cb -0.48 -2.30 -0.05 0.00 -0.22 0.00 0.00 33.01 29.96 2dyy s GLN 32 CO 0.61 0.57 -0.17 0.96 -0.25 0.00 0.00 175.29 177.00 2dyy s ILE 33 N -0.93 2.47 -0.38 1.08 -4.36 -1.26 -1.58 121.20 116.25 2dyy s ILE 33 Ca 0.15 -2.35 -0.03 0.00 -0.26 0.00 0.00 60.65 58.16 2dyy s ILE 33 Cb -0.11 -2.39 -0.06 0.00 1.25 0.00 0.00 42.46 41.15 2dyy s ILE 33 CO 0.06 -0.36 1.76 -0.81 0.24 0.00 0.00 174.94 175.83 2dyy n PRO 34 N -0.67 1.19 -3.64 0.37 -0.04 -1.26 -4.57 135.00 126.39 2dyy n PRO 34 Ca -0.05 -0.86 -0.37 0.00 -0.04 0.00 0.00 63.50 62.18 2dyy n PRO 34 Cb 0.61 -2.07 -0.10 0.00 -0.04 0.00 0.00 33.50 31.91 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 3.20 5.34 -0.42 0.52 1.01 -1.26 -2.68 121.20 126.91 2dyy s ILE 35 Ca 0.27 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.84 2dyy s ILE 35 Cb 0.09 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 39.06 2dyy s ILE 35 CO -0.01 0.33 1.26 -0.62 0.00 0.00 0.00 174.94 175.89 2dyy s ASP 36 N 1.14 6.55 0.61 3.58 3.68 -0.62 -4.64 116.67 126.97 2dyy s ASP 36 Ca 0.08 0.73 0.28 0.00 2.13 0.00 0.00 52.55 55.77 2dyy s ASP 36 Cb -0.14 -2.54 1.46 0.00 -1.45 0.00 0.00 42.92 40.24 2dyy s ASP 36 CO 0.05 -1.28 1.86 1.55 0.13 0.00 0.00 175.17 177.48 2dyy h PRO 37 N 9.71 0.00 0.05 4.34 0.13 -1.89 0.42 132.00 144.75 2dyy h PRO 37 Ca -0.25 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.74 2dyy h PRO 37 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2dyy h PRO 37 CO 1.10 0.00 -0.75 0.87 -0.23 0.00 0.00 178.00 178.99 2dyy h LYS 38 N 0.00 0.10 0.05 0.86 1.57 -1.91 -3.37 116.57 113.87 2dyy h LYS 38 Ca 0.16 -0.17 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2dyy h LYS 38 Cb 1.11 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2dyy h LYS 38 CO -0.00 1.08 -1.05 0.00 -0.57 0.00 0.00 179.45 178.91 2dyy h THR 39 N -0.75 1.57 0.00 -0.16 1.03 -1.88 -3.47 112.91 109.25 2dyy h THR 39 Ca -0.17 -3.06 0.00 0.00 -0.01 0.00 0.00 66.41 63.17 2dyy h THR 39 Cb 1.34 2.77 0.00 0.00 -1.07 0.00 0.00 68.15 71.20 2dyy h THR 39 CO -0.02 0.89 0.00 0.61 -0.01 0.00 0.00 175.52 176.99 2dyy n GLY 40 N 1.28 0.65 3.33 2.99 0.00 0.14 -5.04 105.19 108.54 2dyy n GLY 40 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 2dyy n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dyy s GLU 41 N -0.26 1.49 0.65 1.61 -1.05 -1.25 -4.88 118.70 115.02 2dyy s GLU 41 Ca 0.00 -1.82 -0.16 0.00 -0.15 0.00 0.00 54.97 52.83 2dyy s GLU 41 Cb 0.00 -0.22 -0.00 0.00 -0.44 0.00 0.00 34.13 33.47 2dyy s GLU 41 CO 0.00 -0.35 1.16 0.96 0.95 0.00 0.00 175.26 177.98 2dyy s ILE 42 N -3.69 2.86 0.91 1.83 -4.36 -1.26 -1.59 121.20 115.89 2dyy s ILE 42 Ca 0.37 0.44 -0.13 0.00 -0.26 0.00 0.00 60.65 61.07 2dyy s ILE 42 Cb 0.07 -3.02 0.17 0.00 1.25 0.00 0.00 42.46 40.93 2dyy s ILE 42 CO 0.15 -0.20 1.25 0.68 0.24 0.00 0.00 174.94 177.06 2dyy s VAL 43 N -2.04 2.03 0.00 8.37 -7.23 -1.09 -4.85 120.40 115.59 2dyy s VAL 43 Ca 0.72 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 2dyy s VAL 43 Cb -0.25 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2dyy s VAL 43 CO 0.39 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 176.35 2dyy n LYS 44 N -3.57 0.00 0.00 4.82 3.00 -1.26 -4.66 118.16 116.49 2dyy n LYS 44 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2dyy n LYS 44 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 2dyy n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dyy n GLY 45 N -0.27 -0.32 3.74 3.14 0.00 -1.26 -5.14 105.19 105.09 2dyy n GLY 45 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2dyy n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dyy s ASP 46 N -0.41 5.44 0.24 1.61 2.15 -1.26 -5.02 116.67 119.42 2dyy s ASP 46 Ca 0.00 0.08 -0.04 0.00 0.43 0.00 0.00 52.55 53.01 2dyy s ASP 46 Cb 0.00 -1.50 0.43 0.00 -0.30 0.00 0.00 42.92 41.55 2dyy s ASP 46 CO 0.00 0.27 1.76 -0.29 -0.17 0.00 0.00 175.17 176.74 2dyy h ILE 47 N 3.32 0.74 0.23 4.11 6.09 -1.98 -0.35 117.51 129.68 2dyy h ILE 47 Ca -0.49 -0.19 -0.00 0.00 -1.37 0.00 0.00 64.86 62.81 2dyy h ILE 47 Cb 1.18 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.61 2dyy h ILE 47 CO 0.60 0.10 -0.17 0.50 -3.07 0.00 0.00 178.15 176.11 2dyy h LYS 48 N 0.54 -0.40 -0.31 2.19 3.64 -1.96 0.13 116.57 120.41 2dyy h LYS 48 Ca 0.40 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.73 2dyy h LYS 48 Cb 0.54 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2dyy h LYS 48 CO -0.34 -0.26 -0.15 -0.44 -2.27 0.00 0.00 179.45 175.98 2dyy h ASP 49 N -0.41 0.54 -0.34 4.20 3.32 -1.90 -1.68 116.42 120.14 2dyy h ASP 49 Ca -0.01 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 56.71 2dyy h ASP 49 Cb 0.36 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2dyy h ASP 49 CO -0.01 0.71 -0.45 1.56 -1.72 0.00 0.00 179.24 179.34 2dyy h GLN 50 N 0.50 0.91 -0.17 3.56 4.20 -0.85 -1.94 115.11 121.31 2dyy h GLN 50 Ca 0.09 -0.52 -0.09 0.00 0.06 0.00 0.00 58.65 58.19 2dyy h GLN 50 Cb 0.55 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2dyy h GLN 50 CO 0.04 1.17 -0.28 1.15 -0.67 0.00 0.00 178.83 180.23 2dyy h THR 51 N 0.72 1.26 -0.03 -0.54 2.02 -0.55 -2.39 112.91 113.40 2dyy h THR 51 Ca 0.04 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 2dyy h THR 51 Cb 1.05 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2dyy h THR 51 CO 0.11 0.38 -0.01 -0.09 0.37 0.00 0.00 175.52 176.27 2dyy h ARG 52 N 0.28 0.05 -0.53 6.66 2.43 -1.14 -2.21 114.38 119.92 2dyy h ARG 52 Ca 0.04 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2dyy h ARG 52 Cb 0.64 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 2dyy h ARG 52 CO 0.05 0.45 0.27 0.37 -1.51 0.00 0.00 179.97 179.60 2dyy h GLN 53 N -0.34 0.51 -0.10 0.20 5.75 -1.24 0.15 115.11 120.05 2dyy h GLN 53 Ca 0.01 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2dyy h GLN 53 Cb 0.43 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2dyy h GLN 53 CO 0.00 0.34 -0.01 0.28 -2.65 0.00 0.00 178.83 176.79 2dyy h VAL 54 N 0.53 0.92 -0.60 2.39 2.07 -1.44 0.17 116.25 120.29 2dyy h VAL 54 Ca 0.23 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 2dyy h VAL 54 Cb 0.14 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2dyy h VAL 54 CO -0.16 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.62 2dyy h LEU 55 N 0.02 0.79 -0.83 2.57 4.07 -0.91 0.21 115.31 121.24 2dyy h LEU 55 Ca 0.05 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 2dyy h LEU 55 Cb 0.06 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 2dyy h LEU 55 CO -0.09 0.70 0.08 -0.33 -1.08 0.00 0.00 178.44 177.72 2dyy h GLU 56 N 0.86 0.95 -0.12 1.13 5.08 -0.08 0.63 114.58 123.04 2dyy h GLU 56 Ca 0.21 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2dyy h GLU 56 Cb 0.15 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2dyy h GLU 56 CO -0.02 0.89 0.04 -0.91 -1.00 0.00 0.00 179.01 178.01 2dyy h ASN 57 N 0.90 0.17 -0.67 1.42 2.35 0.09 -2.00 115.58 117.83 2dyy h ASN 57 Ca 0.18 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2dyy h ASN 57 Cb 0.42 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 2dyy h ASN 57 CO 0.01 0.32 0.39 0.40 -1.65 0.00 0.00 177.43 176.90 2dyy h ILE 58 N 0.01 1.00 -0.69 2.81 2.04 -0.65 -2.30 117.51 119.73 2dyy h ILE 58 Ca 0.04 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.70 2dyy h ILE 58 Cb 0.21 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 2dyy h ILE 58 CO -0.00 0.13 0.41 0.50 0.00 0.00 0.00 178.15 179.19 2dyy h LYS 59 N 0.73 0.74 -0.05 2.37 3.64 -0.58 -1.49 116.57 121.94 2dyy h LYS 59 Ca 0.29 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2dyy h LYS 59 Cb 0.14 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2dyy h LYS 59 CO -0.16 0.49 -0.00 0.00 -2.27 0.00 0.00 179.45 177.51 2dyy h ALA 60 N 1.34 0.04 -0.18 5.00 0.00 -0.82 0.16 119.26 124.80 2dyy h ALA 60 Ca 0.30 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.24 2dyy h ALA 60 Cb 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2dyy h ALA 60 CO -0.16 -0.48 0.07 0.82 0.00 0.00 0.00 179.25 179.50 2dyy h ILE 61 N 0.01 0.97 -0.24 0.00 2.04 -1.17 0.52 117.51 119.63 2dyy h ILE 61 Ca 0.02 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.89 2dyy h ILE 61 Cb 0.03 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 2dyy h ILE 61 CO -0.04 0.03 -0.20 -0.07 0.00 0.00 0.00 178.15 177.87 2dyy h LEU 62 N 0.15 -0.65 -1.03 1.44 3.38 -0.96 -0.46 115.31 117.18 2dyy h LEU 62 Ca 0.07 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.25 2dyy h LEU 62 Cb 0.04 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 2dyy h LEU 62 CO -0.07 -0.24 0.64 -0.33 0.09 0.00 0.00 178.44 178.53 2dyy h GLU 63 N -0.20 1.08 -0.08 1.13 5.08 -0.07 0.28 114.58 121.80 2dyy h GLU 63 Ca 0.14 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2dyy h GLU 63 Cb 0.41 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2dyy h GLU 63 CO -0.36 0.71 -0.24 0.00 -1.00 0.00 0.00 179.01 178.12 2dyy h ALA 64 N 1.49 1.45 -0.22 3.43 0.00 0.15 -2.49 119.26 123.06 2dyy h ALA 64 Ca 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dyy h ALA 64 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dyy h ALA 64 CO -0.20 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2dyy n ALA 65 N -2.48 2.50 -1.44 0.00 0.00 -0.44 -4.92 120.51 113.72 2dyy n ALA 65 Ca -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.81 2dyy n ALA 65 Cb 0.33 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.17 0.43 3.76 0.00 0.00 -0.90 -5.05 105.19 104.59 2dyy n GLY 66 Ca 0.16 -0.94 -0.23 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 -2.07 2.66 0.39 1.61 4.12 -0.02 -5.01 117.35 119.03 2dyy s TYR 67 Ca 0.00 -0.50 0.04 0.00 0.02 0.00 0.00 57.07 56.62 2dyy s TYR 67 Cb 0.00 -1.90 -0.04 0.00 -1.52 0.00 0.00 41.96 38.50 2dyy s TYR 67 CO 0.00 0.18 0.08 -1.54 0.02 0.00 0.00 175.55 174.28 2dyy s SER 68 N -3.93 2.84 0.32 2.29 1.04 -1.26 -3.53 113.70 111.47 2dyy s SER 68 Ca 0.41 -1.53 0.01 0.00 0.48 0.00 0.00 55.95 55.33 2dyy s SER 68 Cb 0.01 0.20 0.53 0.00 0.10 0.00 0.00 66.02 66.85 2dyy s SER 68 CO 0.24 -0.75 1.91 -0.07 0.98 0.00 0.00 173.24 175.54 2dyy h LEU 69 N 1.87 0.72 0.00 2.42 4.07 -1.95 -2.13 115.31 120.31 2dyy h LEU 69 Ca -0.39 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2dyy h LEU 69 Cb 1.26 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2dyy h LEU 69 CO 0.66 0.64 0.00 -0.46 -1.08 0.00 0.00 178.44 178.20 2dyy n ASN 70 N -4.34 0.00 0.03 -0.43 6.94 -1.26 -2.00 115.26 114.20 2dyy n ASN 70 Ca 0.05 -0.68 0.11 0.00 -0.02 0.00 0.00 54.58 54.04 2dyy n ASN 70 Cb 0.15 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 37.64 2dyy n ASN 70 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2dyy n ASP 71 N -0.96 0.63 -4.70 0.53 10.43 -0.80 -4.88 116.55 116.80 2dyy n ASP 71 Ca 0.14 -0.15 -0.42 0.00 2.57 0.00 0.00 54.79 56.92 2dyy n ASP 71 Cb 0.06 0.63 -0.03 0.00 1.84 0.00 0.00 41.12 43.62 2dyy n ASP 71 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2dyy s VAL 72 N -3.17 3.16 -0.08 2.53 1.01 -0.85 -0.16 120.40 122.84 2dyy s VAL 72 Ca 0.05 0.71 0.09 0.00 0.00 0.00 0.00 61.98 62.83 2dyy s VAL 72 Cb 0.14 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 2dyy s VAL 72 CO 0.78 0.02 0.07 2.30 0.00 0.00 0.00 175.10 178.27 2dyy n ILE 73 N 4.39 0.50 -3.81 2.22 -5.35 0.34 -4.54 119.36 113.11 2dyy n ILE 73 Ca 0.14 -0.36 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 2dyy n ILE 73 Cb 0.41 -0.53 -0.15 0.00 -1.74 0.00 0.00 39.64 37.63 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 -2.33 -0.00 -0.02 6.28 2.20 -1.08 -0.38 119.74 124.40 2dyy s LYS 74 Ca -0.04 0.12 0.02 0.00 -0.36 0.00 0.00 55.97 55.71 2dyy s LYS 74 Cb 0.04 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 2dyy s LYS 74 CO 0.39 -0.09 -0.08 0.08 -0.36 0.00 0.00 175.35 175.30 2dyy s VAL 75 N 0.57 0.66 -0.09 4.02 1.01 -0.17 -0.59 120.40 125.81 2dyy s VAL 75 Ca -0.05 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2dyy s VAL 75 Cb -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.72 2dyy s VAL 75 CO -0.02 0.21 -0.22 -0.89 0.00 0.00 0.00 175.10 174.18 2dyy s THR 76 N 0.19 1.92 -0.15 3.92 2.01 -0.42 -1.50 115.64 121.61 2dyy s THR 76 Ca -0.03 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.05 2dyy s THR 76 Cb -0.08 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.77 2dyy s THR 76 CO 0.00 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 2dyy s VAL 77 N 0.37 2.33 -0.21 3.82 1.01 0.62 -1.58 120.40 126.76 2dyy s VAL 77 Ca -0.18 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 2dyy s VAL 77 Cb -0.18 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2dyy s VAL 77 CO 0.08 0.53 -0.04 -0.31 0.00 0.00 0.00 175.10 175.37 2dyy s TYR 78 N 0.81 2.96 0.29 5.22 2.02 -0.45 -2.01 117.35 126.19 2dyy s TYR 78 Ca -0.06 -0.81 0.10 0.00 -0.37 0.00 0.00 57.07 55.94 2dyy s TYR 78 Cb -0.15 -2.08 -0.05 0.00 -0.40 0.00 0.00 41.96 39.27 2dyy s TYR 78 CO -0.01 -0.45 -0.09 -0.51 -1.57 0.00 0.00 175.55 172.92 2dyy s LEU 79 N 1.29 2.87 -1.02 -1.29 1.02 -0.86 -1.78 118.68 118.92 2dyy s LEU 79 Ca 0.04 -0.91 -0.03 0.00 0.02 0.00 0.00 54.13 53.24 2dyy s LEU 79 Cb -0.14 -1.34 0.30 0.00 0.02 0.00 0.00 46.19 45.02 2dyy s LEU 79 CO -0.01 -0.04 1.32 1.17 0.02 0.00 0.00 176.35 178.81 2dyy n LYS 80 N -0.79 4.06 0.00 1.70 4.81 -0.99 0.48 118.16 127.43 2dyy n LYS 80 Ca -0.05 -4.56 0.00 0.00 -0.87 0.00 0.00 58.31 52.82 2dyy n LYS 80 Cb 0.60 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.18 2dyy n LYS 80 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2dyy n ASP 81 N 1.42 -1.36 -4.14 3.14 9.92 -1.26 -4.95 116.55 119.32 2dyy n ASP 81 Ca 0.26 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.15 2dyy n ASP 81 Cb 0.35 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.72 2dyy n ASP 81 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2dyy s ASN 83 N -4.00 5.30 -0.10 -2.24 0.02 -1.26 -4.88 114.94 107.78 2dyy s ASN 83 Ca 0.00 -1.93 0.14 0.00 -1.02 0.00 0.00 52.86 50.05 2dyy s ASN 83 Cb 0.00 -1.85 0.45 0.00 0.02 0.00 0.00 41.25 39.87 2dyy s ASN 83 CO 0.00 -0.54 1.37 -0.90 0.02 0.00 0.00 177.10 177.05 2dyy n ASP 84 N 4.65 3.57 -1.95 -1.22 5.68 -1.26 -4.75 116.55 121.26 2dyy n ASP 84 Ca -0.04 -2.54 -0.06 0.00 -0.50 0.00 0.00 54.79 51.64 2dyy n ASP 84 Cb 0.42 -0.42 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 2dyy n ASP 84 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2dyy n PHE 85 N 0.06 0.00 0.00 2.11 0.99 -1.26 -3.20 117.46 116.16 2dyy n PHE 85 Ca 0.18 -1.03 0.00 0.00 -0.00 0.00 0.00 57.45 56.60 2dyy n PHE 85 Cb 0.70 -1.04 0.00 0.00 -1.00 0.00 0.00 39.48 38.14 2dyy n PHE 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2dyy n ALA 86 N 2.29 2.33 0.03 4.37 0.00 -1.26 -4.82 120.51 123.44 2dyy n ALA 86 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 2dyy n ALA 86 Cb 0.60 0.01 0.01 0.00 0.00 0.00 0.00 19.45 20.08 2dyy n ALA 86 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2dyy h LYS 87 N 0.00 0.50 -0.96 0.00 5.09 -1.94 -3.12 116.57 116.15 2dyy h LYS 87 Ca 0.00 -0.40 0.23 0.00 0.09 0.00 0.00 60.65 60.57 2dyy h LYS 87 Cb 0.03 0.08 -0.12 0.00 0.10 0.00 0.00 32.23 32.32 2dyy h LYS 87 CO 0.00 1.03 0.53 1.98 -2.09 0.00 0.00 179.45 180.89 2dyy h MET 88 N 0.35 0.53 -0.17 0.07 -1.53 -1.88 -0.58 114.93 111.71 2dyy h MET 88 Ca -0.03 -0.03 -0.08 0.00 -3.44 0.00 0.00 59.70 56.11 2dyy h MET 88 Cb 1.30 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 32.22 2dyy h MET 88 CO 0.13 0.35 -0.26 -0.91 0.14 0.00 0.00 176.91 176.36 2dyy h ASN 89 N 0.55 0.31 -0.47 1.39 2.35 -1.86 -1.53 115.58 116.31 2dyy h ASN 89 Ca 0.60 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 56.23 2dyy h ASN 89 Cb 1.10 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.37 2dyy h ASN 89 CO -0.47 0.58 0.22 -0.08 -1.65 0.00 0.00 177.43 176.03 2dyy h GLU 90 N 0.28 0.68 -0.16 0.81 4.81 -1.19 0.17 114.58 119.99 2dyy h GLU 90 Ca 0.04 -0.10 -0.22 0.00 -0.13 0.00 0.00 59.36 58.95 2dyy h GLU 90 Cb 0.61 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.88 2dyy h GLU 90 CO 0.04 0.58 -0.76 0.28 -0.73 0.00 0.00 179.01 178.43 2dyy h VAL 91 N 0.62 1.28 -0.65 0.32 2.07 -1.51 -3.21 116.25 115.17 2dyy h VAL 91 Ca 0.16 -1.95 0.02 0.00 0.82 0.00 0.00 66.70 65.75 2dyy h VAL 91 Cb 0.13 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2dyy h VAL 91 CO -0.02 0.62 0.43 0.22 0.02 0.00 0.00 177.57 178.84 2dyy h TYR 92 N 0.54 0.78 -0.11 1.57 5.03 -1.01 -2.24 116.97 121.53 2dyy h TYR 92 Ca -0.05 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.21 2dyy h TYR 92 Cb 1.39 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.40 2dyy h TYR 92 CO 0.09 0.47 -0.24 0.00 -1.32 0.00 0.00 178.16 177.17 2dyy h ALA 93 N 1.61 1.40 -0.88 1.82 0.00 -0.66 -0.22 119.26 122.32 2dyy h ALA 93 Ca 0.25 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dyy h ALA 93 Cb -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2dyy h ALA 93 CO -0.06 0.42 0.57 0.93 0.00 0.00 0.00 179.25 181.11 2dyy h GLU 94 N 0.18 1.08 0.01 0.00 5.08 -1.46 0.88 114.58 120.34 2dyy h GLU 94 Ca 0.03 -0.07 -0.28 0.00 -1.00 0.00 0.00 59.36 58.04 2dyy h GLU 94 Cb 0.52 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2dyy h GLU 94 CO 0.04 0.72 -1.59 1.88 -1.00 0.00 0.00 179.01 179.05 2dyy h TYR 95 N 1.11 0.03 0.00 4.33 -1.99 -1.51 -3.41 116.97 115.53 2dyy h TYR 95 Ca 0.35 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.06 2dyy h TYR 95 Cb 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2dyy h TYR 95 CO -0.02 1.03 0.00 1.19 -0.00 0.00 0.00 178.16 180.37 2dyy n PHE 96 N -3.12 0.00 -0.13 4.88 3.72 -0.13 -4.82 117.46 117.86 2dyy n PHE 96 Ca -0.14 -0.25 0.17 0.00 -0.05 0.00 0.00 57.45 57.17 2dyy n PHE 96 Cb 1.03 -0.03 0.55 0.00 -0.94 0.00 0.00 39.48 40.10 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 0.55 0.00 1.37 0.00 0.66 -1.42 103.07 104.23 2dyy h GLY 97 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 2dyy h GLY 97 CO 0.00 0.04 -0.83 -2.09 0.00 0.00 0.00 176.54 173.66 2dyy h GLU 98 N 0.32 0.00 0.00 4.80 4.22 -1.88 -3.38 114.58 118.66 2dyy h GLU 98 Ca 0.35 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.79 2dyy h GLU 98 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2dyy h GLU 98 CO -0.09 0.54 0.00 0.66 -2.18 0.00 0.00 179.01 177.93 2dyy h SER 99 N -1.00 0.00 -6.55 1.04 4.64 -1.90 -3.48 113.55 106.30 2dyy h SER 99 Ca -0.17 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.77 2dyy h SER 99 Cb 0.90 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.00 2dyy h SER 99 CO -0.10 0.00 -1.21 0.29 -0.87 0.00 0.00 176.83 174.93 2dyy n LYS 100 N -3.00 -1.84 -1.56 4.77 5.02 -0.54 -4.93 118.16 116.09 2dyy n LYS 100 Ca 0.01 1.38 -0.31 0.00 -2.02 0.00 0.00 58.31 57.37 2dyy n LYS 100 Cb 0.29 -1.93 0.05 0.00 -0.02 0.00 0.00 35.03 33.42 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 -2.37 2.86 0.33 1.97 0.02 -1.26 -4.96 135.00 131.59 2dyy s PRO 101 Ca 0.37 1.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.11 2dyy s PRO 101 Cb -0.04 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.40 2dyy s PRO 101 CO 0.83 -1.16 1.47 0.00 -0.33 0.00 0.00 177.00 177.82 2dyy s ALA 102 N -2.98 3.61 0.19 -1.55 0.00 0.49 -4.84 121.76 116.68 2dyy s ALA 102 Ca 0.59 1.48 0.09 0.00 0.00 0.00 0.00 51.96 54.12 2dyy s ALA 102 Cb -0.15 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 2dyy s ALA 102 CO 0.54 -0.92 -0.19 0.50 0.00 0.00 0.00 175.76 175.69 2dyy s ARG 103 N -1.38 1.36 -0.14 0.00 3.00 -1.26 -1.00 118.95 119.54 2dyy s ARG 103 Ca 0.56 -1.49 -0.04 0.00 -1.00 0.00 0.00 55.73 53.76 2dyy s ARG 103 Cb -0.45 -1.44 0.07 0.00 0.00 0.00 0.00 34.95 33.13 2dyy s ARG 103 CO 0.54 0.29 0.19 0.08 0.00 0.00 0.00 175.30 176.40 2dyy s VAL 104 N -2.14 -0.29 -0.08 7.11 1.01 -0.56 -4.95 120.40 120.49 2dyy s VAL 104 Ca 0.19 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.35 2dyy s VAL 104 Cb -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2dyy s VAL 104 CO 0.08 -0.01 -0.20 0.00 0.00 0.00 0.00 175.10 174.97 2dyy s ALA 105 N 2.31 1.82 0.01 5.51 0.00 -1.26 -0.28 121.76 129.87 2dyy s ALA 105 Ca 0.04 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.13 2dyy s ALA 105 Cb -0.14 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2dyy s ALA 105 CO -0.09 0.24 0.21 0.54 0.00 0.00 0.00 175.76 176.67 2dyy s VAL 106 N 0.38 0.08 -0.12 0.00 0.11 -0.85 -5.00 120.40 114.99 2dyy s VAL 106 Ca -0.15 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.19 2dyy s VAL 106 Cb -0.16 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2dyy s VAL 106 CO 0.06 -0.37 0.03 -1.61 -3.33 0.00 0.00 175.10 169.89 2dyy s GLU 107 N -1.66 3.38 0.00 1.54 2.02 -1.26 -2.02 118.70 120.70 2dyy s GLU 107 Ca -0.12 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2dyy s GLU 107 Cb -0.05 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.21 2dyy s GLU 107 CO 0.01 0.55 0.00 1.33 0.02 0.00 0.00 175.26 177.17 2dyy n VAL 108 N 2.65 0.00 0.00 2.63 0.24 0.18 -4.85 118.33 119.18 2dyy n VAL 108 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2dyy n VAL 108 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 2dyy n VAL 108 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2dyy n SER 109 N -1.23 0.00 -4.28 -1.34 7.64 -1.26 -4.05 113.62 109.10 2dyy n SER 109 Ca 0.00 0.10 -0.24 0.00 1.01 0.00 0.00 58.87 59.74 2dyy n SER 109 Cb 0.00 -0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 62.98 2dyy n SER 109 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2dyy s ARG 110 N -0.21 1.16 0.29 1.43 3.52 -1.26 -4.89 118.95 118.99 2dyy s ARG 110 Ca 0.00 -1.13 0.10 0.00 -0.13 0.00 0.00 55.73 54.57 2dyy s ARG 110 Cb 0.00 -1.41 -0.05 0.00 -1.56 0.00 0.00 34.95 31.93 2dyy s ARG 110 CO 0.00 0.33 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.16 2dyy s LEU 111 N -1.80 2.62 -0.02 -0.88 1.43 -1.26 -5.03 118.68 113.73 2dyy s LEU 111 Ca 0.07 -1.10 -0.38 0.00 -1.03 0.00 0.00 54.13 51.70 2dyy s LEU 111 Cb -0.10 -0.97 -0.16 0.00 0.03 0.00 0.00 46.19 44.99 2dyy s LEU 111 CO 0.04 -0.10 1.48 -2.65 0.23 0.00 0.00 176.35 175.35 2dyy n PRO 112 N -0.64 1.22 -1.23 1.29 -0.02 -1.26 -0.36 135.00 134.00 2dyy n PRO 112 Ca -0.05 0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 61.79 2dyy n PRO 112 Cb 0.61 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2dyy n PRO 112 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2dyy n LYS 113 N 3.46 -1.42 -1.54 -0.52 4.01 -1.26 -2.76 118.16 118.14 2dyy n LYS 113 Ca 0.21 0.73 -0.13 0.00 -0.51 0.00 0.00 58.31 58.61 2dyy n LYS 113 Cb 0.18 -4.95 -0.05 0.00 -0.51 0.00 0.00 35.03 29.70 2dyy n LYS 113 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2dyy n ASP 114 N -0.78 -4.48 -3.59 4.39 8.00 0.52 -5.01 116.55 115.59 2dyy n ASP 114 Ca -0.08 0.26 -0.30 0.00 0.71 0.00 0.00 54.79 55.38 2dyy n ASP 114 Cb 0.48 -3.23 0.29 0.00 -0.02 0.00 0.00 41.12 38.64 2dyy n ASP 114 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2dyy s VAL 115 N -2.51 1.30 -0.08 2.53 -7.23 -1.11 -4.87 120.40 108.43 2dyy s VAL 115 Ca 0.00 0.00 0.21 0.00 -1.81 0.00 0.00 61.98 60.38 2dyy s VAL 115 Cb 0.00 -2.02 -0.29 0.00 0.56 0.00 0.00 36.38 34.64 2dyy s VAL 115 CO 0.00 0.00 0.49 0.18 -0.31 0.00 0.00 175.10 175.46 2dyy n LEU 116 N -5.63 0.11 -3.76 1.32 4.77 -1.26 -4.59 117.00 107.96 2dyy n LEU 116 Ca 0.11 0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 2dyy n LEU 116 Cb 0.59 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.65 2dyy n LEU 116 CO 0.45 0.06 0.02 -0.51 -1.33 0.00 0.00 177.39 176.08 2dyy s ILE 117 N -3.34 0.04 -0.06 -0.08 2.07 -1.26 -2.35 121.20 116.21 2dyy s ILE 117 Ca -0.07 -0.34 -0.03 0.00 -1.41 0.00 0.00 60.65 58.80 2dyy s ILE 117 Cb 0.12 -0.58 0.04 0.00 0.13 0.00 0.00 42.46 42.17 2dyy s ILE 117 CO 0.88 -0.19 0.14 -0.70 -1.91 0.00 0.00 174.94 173.16 2dyy s GLU 118 N -0.90 0.09 -0.01 3.50 2.12 -0.73 -4.23 118.70 118.53 2dyy s GLU 118 Ca -0.10 0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.62 2dyy s GLU 118 Cb -0.04 -0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.17 2dyy s GLU 118 CO 0.03 -0.15 -0.17 0.42 -0.54 0.00 0.00 175.26 174.85 2dyy s ILE 119 N 1.06 1.34 0.15 -3.70 1.01 -0.61 -1.35 121.20 119.10 2dyy s ILE 119 Ca -0.08 -0.73 0.10 0.00 0.00 0.00 0.00 60.65 59.94 2dyy s ILE 119 Cb -0.11 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 2dyy s ILE 119 CO -0.05 0.38 -0.23 -1.83 0.00 0.00 0.00 174.94 173.21 2dyy s GLU 120 N -0.41 1.34 0.10 2.79 -1.05 -0.61 -0.37 118.70 120.48 2dyy s GLU 120 Ca 0.07 -1.37 -0.09 0.00 -0.15 0.00 0.00 54.97 53.43 2dyy s GLU 120 Cb -0.07 -1.64 -0.00 0.00 -0.44 0.00 0.00 34.13 31.98 2dyy s GLU 120 CO -0.01 0.37 0.20 0.00 0.95 0.00 0.00 175.26 176.77 2dyy s ALA 121 N -1.47 -0.18 -0.09 -0.84 0.00 -1.24 -1.30 121.76 116.65 2dyy s ALA 121 Ca 0.14 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.46 2dyy s ALA 121 Cb -0.09 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.59 2dyy s ALA 121 CO 0.07 -0.53 -0.13 0.42 0.00 0.00 0.00 175.76 175.59 2dyy s ILE 122 N -3.88 1.25 0.21 0.00 1.01 0.24 -1.51 121.20 118.51 2dyy s ILE 122 Ca 0.07 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.30 2dyy s ILE 122 Cb 0.05 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2dyy s ILE 122 CO -0.09 0.39 -0.04 0.00 0.00 0.00 0.00 174.94 175.19 2dyy s ALA 123 N 0.91 3.08 -0.03 9.38 0.00 -0.23 -0.50 121.76 134.37 2dyy s ALA 123 Ca -0.09 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2dyy s ALA 123 Cb -0.15 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.19 2dyy s ALA 123 CO 0.01 0.39 -0.00 -0.47 0.00 0.00 0.00 175.76 175.69 2dyy s TYR 124 N -1.95 0.35 -0.10 0.00 5.04 0.77 -0.94 117.35 120.53 2dyy s TYR 124 Ca 0.28 -0.01 -0.02 0.00 -2.44 0.00 0.00 57.07 54.88 2dyy s TYR 124 Cb -0.08 -0.44 0.03 0.00 0.35 0.00 0.00 41.96 41.83 2dyy s TYR 124 CO 0.18 -0.14 0.01 0.21 -1.34 0.00 0.00 175.55 174.46 2dyy s LYS 125 N 1.06 0.62 0.00 4.97 2.20 -0.92 -4.68 119.74 123.00 2dyy s LYS 125 Ca -0.09 0.01 0.29 0.00 -0.36 0.00 0.00 55.97 55.82 2dyy s LYS 125 Cb -0.14 -1.20 1.73 0.00 -1.51 0.00 0.00 37.83 36.72 2dyy s LYS 125 CO -0.02 -0.37 2.07 -0.85 -0.36 0.00 0.00 175.35 175.82