#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dyy s GLU 3 N 0.00 2.04 -0.34 1.64 2.02 0.17 -4.97 118.70 119.26 2dyy s GLU 3 Ca 0.00 -0.61 -0.13 0.00 0.02 0.00 0.00 54.97 54.25 2dyy s GLU 3 Cb 0.00 -1.68 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 2dyy s GLU 3 CO 0.00 0.16 0.26 0.54 0.02 0.00 0.00 175.26 176.24 2dyy s VAL 4 N 0.30 5.27 0.31 2.63 0.11 -1.26 0.43 120.40 128.18 2dyy s VAL 4 Ca -0.10 -0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 58.56 2dyy s VAL 4 Cb -0.14 -3.73 -0.09 0.00 -1.53 0.00 0.00 36.38 30.88 2dyy s VAL 4 CO 0.04 -0.03 0.82 -0.63 -3.33 0.00 0.00 175.10 171.98 2dyy s ILE 5 N 1.77 4.47 -0.15 7.04 1.09 -0.74 -5.01 121.20 129.68 2dyy s ILE 5 Ca 0.07 1.37 -0.10 0.00 -1.10 0.00 0.00 60.65 60.89 2dyy s ILE 5 Cb -0.17 -3.78 0.05 0.00 -1.06 0.00 0.00 42.46 37.49 2dyy s ILE 5 CO 0.11 -0.01 0.38 0.12 -0.10 0.00 0.00 174.94 175.44 2dyy s PHE 6 N -1.79 -0.49 -0.08 3.97 5.36 -1.26 -3.98 117.98 119.70 2dyy s PHE 6 Ca 0.51 1.12 -0.12 0.00 -0.96 0.00 0.00 56.93 57.48 2dyy s PHE 6 Cb -0.14 0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.76 2dyy s PHE 6 CO 0.19 -0.27 0.31 -0.08 -1.46 0.00 0.00 175.22 173.91 2dyy s THR 7 N 0.89 0.02 -1.33 0.12 -1.32 -1.26 -5.02 115.64 107.74 2dyy s THR 7 Ca -0.06 -0.17 0.21 0.00 -1.21 0.00 0.00 61.69 60.46 2dyy s THR 7 Cb -0.06 -0.49 0.32 0.00 -1.51 0.00 0.00 72.50 70.76 2dyy s THR 7 CO -0.07 -0.09 1.67 -0.62 -2.21 0.00 0.00 174.62 173.30 2dyy n GLU 8 N 2.38 0.23 0.09 7.08 -0.58 -1.26 -2.88 120.64 125.69 2dyy n GLU 8 Ca -0.16 0.10 0.13 0.00 -0.42 0.00 0.00 57.16 56.82 2dyy n GLU 8 Cb 0.57 -1.50 0.43 0.00 -0.57 0.00 0.00 31.44 30.37 2dyy n GLU 8 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2dyy n ASN 9 N -1.34 0.68 -4.43 1.62 3.02 -1.26 -4.80 115.26 108.76 2dyy n ASN 9 Ca 0.09 0.54 -0.26 0.00 -0.03 0.00 0.00 54.58 54.92 2dyy n ASN 9 Cb 0.18 -0.71 -0.11 0.00 -0.61 0.00 0.00 39.78 38.54 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 -3.09 2.55 0.30 5.41 0.00 -1.14 -4.76 121.76 121.04 2dyy s ALA 10 Ca 0.11 -1.69 -0.28 0.00 0.00 0.00 0.00 51.96 50.11 2dyy s ALA 10 Cb 0.13 -0.31 -0.14 0.00 0.00 0.00 0.00 23.12 22.81 2dyy s ALA 10 CO 0.59 0.39 1.02 -2.30 0.00 0.00 0.00 175.76 175.46 2dyy n PRO 11 N 0.08 1.38 -2.34 0.00 -0.02 -1.26 -4.86 135.00 127.98 2dyy n PRO 11 Ca -0.11 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.43 2dyy n PRO 11 Cb 0.57 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.59 4.18 0.15 -0.52 2.20 -1.26 -4.95 119.74 117.95 2dyy s LYS 12 Ca 0.59 1.72 -0.31 0.00 -0.36 0.00 0.00 55.97 57.61 2dyy s LYS 12 Cb -0.69 -3.82 -0.08 0.00 -1.51 0.00 0.00 37.83 31.72 2dyy s LYS 12 CO 0.60 -0.79 1.33 -1.25 -0.36 0.00 0.00 175.35 174.88 2dyy s PRO 13 N 3.70 4.36 -0.29 4.03 0.04 -1.26 -5.00 135.00 140.58 2dyy s PRO 13 Ca 0.59 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 2dyy s PRO 13 Cb -0.23 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2dyy s PRO 13 CO 0.18 -0.33 0.20 0.96 0.04 0.00 0.00 177.00 178.05 2dyy s ILE 14 N 0.61 5.26 0.00 0.56 -0.00 -1.26 -4.92 121.20 121.45 2dyy s ILE 14 Ca 0.60 0.05 0.00 0.00 -0.00 0.00 0.00 60.65 61.31 2dyy s ILE 14 Cb -0.36 -3.55 0.00 0.00 -0.00 0.00 0.00 42.46 38.55 2dyy s ILE 14 CO 0.34 0.19 0.00 0.61 -0.00 0.00 0.00 174.94 176.08 2dyy n GLY 15 N 5.06 -0.36 1.95 6.27 0.00 -1.26 -4.79 105.19 112.07 2dyy n GLY 15 Ca -0.14 -2.26 -0.08 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.41 1.51 -4.03 1.61 -0.04 -1.26 -4.87 135.00 127.50 2dyy n PRO 16 Ca 0.00 -0.65 -0.08 0.00 -0.04 0.00 0.00 63.50 62.73 2dyy n PRO 16 Cb 0.00 -1.72 -0.10 0.00 -0.04 0.00 0.00 33.50 31.64 2dyy n PRO 16 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2dyy s TYR 17 N 1.05 0.40 0.29 0.54 1.13 -1.26 -5.17 117.35 114.32 2dyy s TYR 17 Ca 0.44 -0.86 0.06 0.00 -1.41 0.00 0.00 57.07 55.30 2dyy s TYR 17 Cb 0.21 -0.29 -0.02 0.00 -1.10 0.00 0.00 41.96 40.75 2dyy s TYR 17 CO 0.00 -0.36 0.35 -1.12 -2.51 0.00 0.00 175.55 171.92 2dyy s SER 18 N -2.54 5.90 0.22 -0.18 0.01 -1.26 -4.78 113.70 111.07 2dyy s SER 18 Ca 0.01 -0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.08 2dyy s SER 18 Cb 0.03 -1.44 0.21 0.00 0.21 0.00 0.00 66.02 65.04 2dyy s SER 18 CO -0.08 -0.22 1.62 1.56 0.41 0.00 0.00 173.24 176.54 2dyy h GLN 19 N 1.16 0.68 -2.22 12.44 4.20 -1.93 -3.41 115.11 126.03 2dyy h GLN 19 Ca -0.48 -0.30 0.09 0.00 0.06 0.00 0.00 58.65 58.02 2dyy h GLN 19 Cb 1.24 -0.02 -0.16 0.00 0.30 0.00 0.00 27.48 28.84 2dyy h GLN 19 CO 0.58 0.89 0.47 0.00 -0.67 0.00 0.00 178.83 180.10 2dyy s ALA 20 N -4.48 -1.82 -0.09 3.87 0.00 -1.26 -1.34 121.76 116.64 2dyy s ALA 20 Ca -0.08 1.07 0.01 0.00 0.00 0.00 0.00 51.96 52.95 2dyy s ALA 20 Cb 0.13 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.55 2dyy s ALA 20 CO 0.83 -0.63 -0.09 0.42 0.00 0.00 0.00 175.76 176.29 2dyy s ILE 21 N -2.82 0.99 -0.37 0.00 -1.09 -0.21 -1.78 121.20 115.92 2dyy s ILE 21 Ca 0.03 -0.33 -0.16 0.00 -2.23 0.00 0.00 60.65 57.97 2dyy s ILE 21 Cb -0.01 -0.98 0.00 0.00 -1.58 0.00 0.00 42.46 39.90 2dyy s ILE 21 CO -0.07 0.34 0.39 -0.75 -1.23 0.00 0.00 174.94 173.63 2dyy s LYS 22 N 1.25 3.40 -0.18 2.79 2.47 0.17 -1.09 119.74 128.55 2dyy s LYS 22 Ca -0.04 -0.53 -0.01 0.00 -1.56 0.00 0.00 55.97 53.83 2dyy s LYS 22 Cb -0.14 -3.86 0.05 0.00 -1.46 0.00 0.00 37.83 32.42 2dyy s LYS 22 CO -0.03 -0.64 -0.01 0.00 0.16 0.00 0.00 175.35 174.82 2dyy s ALA 23 N 2.07 1.30 0.00 3.13 0.00 -0.87 0.44 121.76 127.82 2dyy s ALA 23 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2dyy s ALA 23 Cb -0.17 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2dyy s ALA 23 CO 0.12 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.31 2dyy n GLY 24 N 4.94 0.87 0.56 0.00 0.00 -1.26 -2.76 105.19 107.53 2dyy n GLY 24 Ca -0.10 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 1.95 1.75 -4.88 1.61 3.02 -1.26 -4.90 115.26 112.54 2dyy n ASN 25 Ca 0.00 -1.59 -0.32 0.00 -0.03 0.00 0.00 54.58 52.63 2dyy n ASN 25 Cb 0.00 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.98 3.49 -0.16 3.10 0.40 -1.11 -2.67 117.98 119.04 2dyy s PHE 26 Ca 0.36 0.73 0.01 0.00 -0.60 0.00 0.00 56.93 57.43 2dyy s PHE 26 Cb 0.21 -2.14 0.02 0.00 0.51 0.00 0.00 43.02 41.62 2dyy s PHE 26 CO 0.32 0.40 -0.19 -1.17 0.70 0.00 0.00 175.22 175.29 2dyy s LEU 27 N -2.51 2.00 -0.40 -0.37 2.96 -0.08 -2.05 118.68 118.22 2dyy s LEU 27 Ca 0.41 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 2dyy s LEU 27 Cb -0.12 -1.38 0.07 0.00 0.50 0.00 0.00 46.19 45.25 2dyy s LEU 27 CO 0.22 -0.00 0.22 -0.36 -1.32 0.00 0.00 176.35 175.11 2dyy s PHE 28 N 1.25 3.33 -0.02 5.38 0.08 -0.25 -1.42 117.98 126.33 2dyy s PHE 28 Ca 0.02 -1.50 -0.17 0.00 0.12 0.00 0.00 56.93 55.40 2dyy s PHE 28 Cb -0.13 -2.78 -0.05 0.00 -0.57 0.00 0.00 43.02 39.48 2dyy s PHE 28 CO -0.10 -0.81 0.46 0.42 -0.10 0.00 0.00 175.22 175.08 2dyy s ILE 29 N 1.42 5.03 0.94 0.64 1.01 -0.70 -1.04 121.20 128.49 2dyy s ILE 29 Ca 0.02 0.94 -0.12 0.00 0.00 0.00 0.00 60.65 61.49 2dyy s ILE 29 Cb -0.22 -3.77 0.15 0.00 0.01 0.00 0.00 42.46 38.63 2dyy s ILE 29 CO 0.02 0.50 1.12 0.00 0.00 0.00 0.00 174.94 176.58 2dyy s ALA 30 N -0.56 1.48 0.03 9.38 0.00 -0.45 -3.66 121.76 127.98 2dyy s ALA 30 Ca 0.25 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 2dyy s ALA 30 Cb -0.17 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2dyy s ALA 30 CO 0.13 -2.47 1.85 0.20 0.00 0.00 0.00 175.76 175.47 2dyy s GLY 31 N -3.80 1.46 -0.12 0.00 0.00 -1.26 -4.62 107.32 98.99 2dyy s GLY 31 Ca 0.64 1.25 -0.07 0.00 0.00 0.00 0.00 44.72 46.54 2dyy s GLY 31 CO 0.55 3.28 0.13 1.20 0.00 0.00 0.00 173.10 178.26 2dyy s GLN 32 N 3.96 3.44 0.43 2.90 -1.52 -0.18 -4.88 119.66 123.82 2dyy s GLN 32 Ca 0.83 -0.15 0.06 0.00 -1.95 0.00 0.00 55.36 54.15 2dyy s GLN 32 Cb -0.41 -3.17 -0.06 0.00 -0.22 0.00 0.00 33.01 29.15 2dyy s GLN 32 CO 0.37 0.76 0.07 0.96 -0.25 0.00 0.00 175.29 177.20 2dyy s ILE 33 N -0.96 1.93 -0.08 1.08 -4.36 -1.26 -1.74 121.20 115.80 2dyy s ILE 33 Ca 0.15 -1.89 -0.04 0.00 -0.26 0.00 0.00 60.65 58.60 2dyy s ILE 33 Cb -0.12 -2.82 -0.16 0.00 1.25 0.00 0.00 42.46 40.61 2dyy s ILE 33 CO 0.04 0.00 2.48 -0.81 0.24 0.00 0.00 174.94 176.88 2dyy n PRO 34 N -1.13 1.36 -3.76 0.37 -0.04 -1.26 -4.45 135.00 126.10 2dyy n PRO 34 Ca -0.06 -0.71 -0.37 0.00 -0.04 0.00 0.00 63.50 62.32 2dyy n PRO 34 Cb 0.66 -1.87 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 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 1.84 5.34 -0.35 0.52 1.01 -1.26 -2.27 121.20 126.03 2dyy s ILE 35 Ca 0.43 0.36 -0.23 0.00 0.00 0.00 0.00 60.65 61.21 2dyy s ILE 35 Cb 0.20 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 39.15 2dyy s ILE 35 CO -0.00 0.55 0.77 -0.62 0.00 0.00 0.00 174.94 175.63 2dyy s ASP 36 N -1.21 6.57 0.59 3.58 3.68 0.15 -4.78 116.67 125.25 2dyy s ASP 36 Ca 0.20 0.43 0.29 0.00 2.13 0.00 0.00 52.55 55.60 2dyy s ASP 36 Cb -0.13 -2.39 1.46 0.00 -1.45 0.00 0.00 42.92 40.41 2dyy s ASP 36 CO 0.09 -0.68 1.88 1.55 0.13 0.00 0.00 175.17 178.15 2dyy h PRO 37 N 8.37 0.00 0.19 4.34 0.13 -1.88 0.88 132.00 144.02 2dyy h PRO 37 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 2dyy h PRO 37 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2dyy h PRO 37 CO 0.89 0.00 -0.09 0.87 -0.23 0.00 0.00 178.00 179.44 2dyy h LYS 38 N 0.00 -0.24 -0.17 0.86 1.57 -1.91 -3.37 116.57 113.30 2dyy h LYS 38 Ca 0.24 0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.83 2dyy h LYS 38 Cb 1.26 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2dyy h LYS 38 CO -0.00 -0.16 -0.69 0.00 -0.57 0.00 0.00 179.45 178.02 2dyy h THR 39 N -0.82 1.30 0.00 -0.16 1.03 -1.93 -3.47 112.91 108.86 2dyy h THR 39 Ca -0.03 -1.94 0.00 0.00 -0.01 0.00 0.00 66.41 64.44 2dyy h THR 39 Cb 0.19 1.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.18 2dyy h THR 39 CO 0.04 0.61 0.00 0.61 -0.01 0.00 0.00 175.52 176.77 2dyy n GLY 40 N 0.55 0.71 3.58 2.99 0.00 0.30 -5.02 105.19 108.30 2dyy n GLY 40 Ca -0.06 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.87 1.94 0.42 1.61 2.02 -1.25 -4.81 118.70 117.76 2dyy s GLU 41 Ca 0.00 -2.17 -0.23 0.00 0.02 0.00 0.00 54.97 52.60 2dyy s GLU 41 Cb 0.00 -1.03 -0.10 0.00 0.10 0.00 0.00 34.13 33.10 2dyy s GLU 41 CO 0.00 -0.33 1.00 0.42 0.02 0.00 0.00 175.26 176.37 2dyy s ILE 42 N -3.09 3.99 0.86 -1.63 1.09 -1.26 0.32 121.20 121.49 2dyy s ILE 42 Ca 0.23 1.38 -0.15 0.00 -1.10 0.00 0.00 60.65 61.02 2dyy s ILE 42 Cb 0.05 -3.65 0.21 0.00 -1.06 0.00 0.00 42.46 38.00 2dyy s ILE 42 CO 0.12 -0.12 0.99 1.33 -0.10 0.00 0.00 174.94 177.16 2dyy n VAL 43 N -0.36 0.00 0.00 2.92 0.24 -0.96 -4.84 118.33 115.32 2dyy n VAL 43 Ca 0.06 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 2dyy n VAL 43 Cb 0.52 -1.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 2dyy n VAL 43 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2dyy n LYS 44 N -3.61 0.00 0.00 7.34 -0.00 -1.26 -4.81 118.16 115.81 2dyy n LYS 44 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2dyy n LYS 44 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.50 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 -0.70 0.64 3.88 2.58 0.00 -1.26 -5.12 105.19 105.21 2dyy n GLY 45 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 6.38 0.38 1.61 2.15 -1.26 -4.94 116.67 120.98 2dyy s ASP 46 Ca 0.00 1.14 0.04 0.00 0.43 0.00 0.00 52.55 54.17 2dyy s ASP 46 Cb 0.00 -2.34 0.73 0.00 -0.30 0.00 0.00 42.92 41.02 2dyy s ASP 46 CO 0.00 -0.57 2.03 -0.29 -0.17 0.00 0.00 175.17 176.16 2dyy h ILE 47 N 0.48 1.14 -0.20 4.11 6.09 -1.98 -1.52 117.51 125.63 2dyy h ILE 47 Ca -0.46 -0.27 -0.04 0.00 -1.37 0.00 0.00 64.86 62.72 2dyy h ILE 47 Cb 1.19 0.38 -0.01 0.00 0.47 0.00 0.00 36.82 38.86 2dyy h ILE 47 CO 0.62 0.14 -0.01 0.11 -3.07 0.00 0.00 178.15 175.94 2dyy h LYS 48 N 0.71 0.36 -0.35 2.19 1.57 -1.94 0.21 116.57 119.32 2dyy h LYS 48 Ca 0.19 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 2dyy h LYS 48 Cb -0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2dyy h LYS 48 CO -0.04 0.58 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.83 2dyy h ASP 49 N 0.11 0.61 0.04 0.86 3.32 -1.90 -1.58 116.42 117.88 2dyy h ASP 49 Ca 0.05 -0.18 -0.20 0.00 0.02 0.00 0.00 57.03 56.73 2dyy h ASP 49 Cb 0.42 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2dyy h ASP 49 CO 0.01 0.78 -0.73 1.56 -1.72 0.00 0.00 179.24 179.14 2dyy h GLN 50 N 0.57 0.61 -0.14 3.56 4.20 -1.17 -1.71 115.11 121.02 2dyy h GLN 50 Ca 0.10 -0.48 -0.09 0.00 0.06 0.00 0.00 58.65 58.23 2dyy h GLN 50 Cb 0.57 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2dyy h GLN 50 CO 0.04 1.10 -0.32 1.15 -0.67 0.00 0.00 178.83 180.13 2dyy h THR 51 N 0.42 1.27 -0.22 -0.54 2.02 -0.41 -2.15 112.91 113.30 2dyy h THR 51 Ca -0.04 -1.30 -0.20 0.00 0.77 0.00 0.00 66.41 65.64 2dyy h THR 51 Cb 1.33 1.51 0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2dyy h THR 51 CO 0.14 0.39 -0.64 -0.09 0.37 0.00 0.00 175.52 175.69 2dyy h ARG 52 N 0.24 0.83 -0.25 6.66 2.43 -1.20 -1.52 114.38 121.57 2dyy h ARG 52 Ca 0.03 -0.59 -0.02 0.00 -0.81 0.00 0.00 59.98 58.59 2dyy h ARG 52 Cb 0.68 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2dyy h ARG 52 CO 0.05 1.21 0.10 0.37 -1.51 0.00 0.00 179.97 180.19 2dyy h GLN 53 N 0.59 0.38 0.46 0.20 5.75 -1.06 -0.67 115.11 120.76 2dyy h GLN 53 Ca -0.02 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 2dyy h GLN 53 Cb 1.26 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 2dyy h GLN 53 CO 0.14 0.42 -0.44 0.28 -2.65 0.00 0.00 178.83 176.57 2dyy h VAL 54 N 0.25 0.11 -0.63 2.39 2.07 -1.40 0.15 116.25 119.19 2dyy h VAL 54 Ca 0.08 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.77 2dyy h VAL 54 Cb 0.19 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2dyy h VAL 54 CO -0.01 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.96 2dyy h LEU 55 N -0.91 0.10 -0.27 2.57 3.38 -1.18 0.13 115.31 119.14 2dyy h LEU 55 Ca -0.05 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 2dyy h LEU 55 Cb 0.80 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2dyy h LEU 55 CO -0.05 0.05 -0.58 -0.33 0.09 0.00 0.00 178.44 177.62 2dyy h GLU 56 N 0.11 0.87 -0.21 1.13 5.08 -0.36 -1.44 114.58 119.76 2dyy h GLU 56 Ca 0.30 -0.57 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2dyy h GLU 56 Cb 1.05 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2dyy h GLU 56 CO -0.03 1.20 -0.11 -0.91 -1.00 0.00 0.00 179.01 178.16 2dyy h ASN 57 N 0.65 0.32 -0.18 1.42 2.35 0.12 -0.57 115.58 119.69 2dyy h ASN 57 Ca 0.00 -0.07 -0.20 0.00 -0.55 0.00 0.00 56.30 55.49 2dyy h ASN 57 Cb 1.19 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.48 2dyy h ASN 57 CO 0.13 0.47 -0.67 0.40 -1.65 0.00 0.00 177.43 176.11 2dyy h ILE 58 N 0.32 1.29 -0.44 2.81 2.04 -0.97 -2.70 117.51 119.85 2dyy h ILE 58 Ca 0.06 -1.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.04 2dyy h ILE 58 Cb 0.40 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 2dyy h ILE 58 CO 0.02 0.60 0.26 0.50 0.00 0.00 0.00 178.15 179.53 2dyy h LYS 59 N 0.50 0.60 -0.69 2.37 3.64 -0.74 -1.63 116.57 120.62 2dyy h LYS 59 Ca -0.03 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2dyy h LYS 59 Cb 1.30 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 2dyy h LYS 59 CO 0.14 0.45 0.43 0.00 -2.27 0.00 0.00 179.45 178.20 2dyy h ALA 60 N 1.12 0.91 -0.48 5.00 0.00 -1.13 -2.14 119.26 122.54 2dyy h ALA 60 Ca 0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2dyy h ALA 60 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2dyy h ALA 60 CO -0.03 0.19 -0.03 0.82 0.00 0.00 0.00 179.25 180.20 2dyy h ILE 61 N 0.83 1.27 0.35 0.00 2.04 -1.16 -2.08 117.51 118.76 2dyy h ILE 61 Ca 0.28 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2dyy h ILE 61 Cb 0.04 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2dyy h ILE 61 CO -0.12 0.39 -0.29 -0.07 0.00 0.00 0.00 178.15 178.06 2dyy h LEU 62 N 0.72 -0.78 -0.65 1.44 3.38 -1.01 -1.15 115.31 117.27 2dyy h LEU 62 Ca 0.13 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.27 2dyy h LEU 62 Cb 0.55 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 2dyy h LEU 62 CO 0.03 -0.43 0.25 -0.33 0.09 0.00 0.00 178.44 178.04 2dyy h GLU 63 N -0.66 0.41 0.00 1.13 5.08 -1.39 0.41 114.58 119.57 2dyy h GLU 63 Ca -0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2dyy h GLU 63 Cb 0.58 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2dyy h GLU 63 CO -0.02 0.27 -0.12 0.00 -1.00 0.00 0.00 179.01 178.14 2dyy h ALA 64 N 1.45 1.57 -0.01 3.43 0.00 -1.09 -1.37 119.26 123.24 2dyy h ALA 64 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dyy h ALA 64 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dyy h ALA 64 CO -0.33 0.15 -0.09 0.00 0.00 0.00 0.00 179.25 178.98 2dyy n ALA 65 N -2.41 2.76 -0.54 0.00 0.00 0.13 -4.93 120.51 115.52 2dyy n ALA 65 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2dyy n ALA 65 Cb 0.21 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.23 0.75 3.15 0.00 0.00 -0.30 -5.05 105.19 104.97 2dyy n GLY 66 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2dyy n GLY 66 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2dyy n TYR 67 N -2.33 -1.14 -4.30 1.61 0.53 -0.41 -4.97 117.16 106.14 2dyy n TYR 67 Ca 0.00 -1.88 -0.16 0.00 -1.02 0.00 0.00 57.90 54.84 2dyy n TYR 67 Cb 0.00 -0.39 -0.10 0.00 -1.03 0.00 0.00 39.34 37.82 2dyy n TYR 67 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 2dyy s SER 68 N -3.73 1.11 0.52 7.72 1.04 -1.26 -3.38 113.70 115.72 2dyy s SER 68 Ca 0.31 -1.44 0.18 0.00 0.48 0.00 0.00 55.95 55.49 2dyy s SER 68 Cb -0.02 0.27 1.33 0.00 0.10 0.00 0.00 66.02 67.69 2dyy s SER 68 CO 0.20 -0.80 2.15 -0.07 0.98 0.00 0.00 173.24 175.70 2dyy h LEU 69 N 2.37 0.00 -0.23 2.42 3.38 -1.93 -1.27 115.31 120.06 2dyy h LEU 69 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2dyy h LEU 69 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2dyy h LEU 69 CO 0.57 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.71 2dyy n ASN 70 N -4.41 0.31 0.10 -0.43 3.02 -1.26 -2.36 115.26 110.22 2dyy n ASN 70 Ca -0.03 0.56 0.12 0.00 -0.03 0.00 0.00 54.58 55.20 2dyy n ASN 70 Cb 0.11 -0.63 0.14 0.00 -0.61 0.00 0.00 39.78 38.79 2dyy n ASN 70 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2dyy h ASP 71 N 0.00 0.00 -2.55 6.41 3.45 -1.50 -3.46 116.42 118.76 2dyy h ASP 71 Ca 0.00 -0.10 -0.52 0.00 0.43 0.00 0.00 57.03 56.84 2dyy h ASP 71 Cb 0.38 0.00 0.04 0.00 -0.56 0.00 0.00 39.33 39.19 2dyy h ASP 71 CO 0.00 0.05 1.10 -0.69 -1.57 0.00 0.00 179.24 178.13 2dyy s VAL 72 N -3.23 2.45 -0.10 -1.35 1.01 -1.00 0.31 120.40 118.50 2dyy s VAL 72 Ca 0.05 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.16 2dyy s VAL 72 Cb 0.11 -3.03 -0.13 0.00 0.00 0.00 0.00 36.38 33.33 2dyy s VAL 72 CO 0.72 0.00 0.04 2.30 0.00 0.00 0.00 175.10 178.16 2dyy n ILE 73 N 4.62 0.71 -3.80 2.22 -5.35 0.11 -4.53 119.36 113.35 2dyy n ILE 73 Ca 0.17 -0.45 -0.14 0.00 -0.27 0.00 0.00 62.75 62.07 2dyy n ILE 73 Cb 0.38 -0.69 -0.15 0.00 -1.74 0.00 0.00 39.64 37.44 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 -2.27 0.02 -0.02 6.28 2.20 -1.03 -0.82 119.74 124.10 2dyy s LYS 74 Ca -0.05 0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 2dyy s LYS 74 Cb 0.03 -0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.22 2dyy s LYS 74 CO 0.44 -0.11 -0.10 0.08 -0.36 0.00 0.00 175.35 175.30 2dyy s VAL 75 N 0.70 0.83 -0.09 4.02 1.01 -0.05 -0.72 120.40 126.09 2dyy s VAL 75 Ca -0.06 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2dyy s VAL 75 Cb -0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 2dyy s VAL 75 CO -0.02 0.25 -0.21 -0.89 0.00 0.00 0.00 175.10 174.23 2dyy s THR 76 N 0.06 2.36 -0.17 3.92 2.01 -0.91 -1.90 115.64 121.01 2dyy s THR 76 Ca -0.01 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.06 2dyy s THR 76 Cb -0.07 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.52 2dyy s THR 76 CO 0.00 0.56 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.64 2dyy s VAL 77 N 0.16 2.54 -0.26 3.82 1.01 0.64 -2.08 120.40 126.23 2dyy s VAL 77 Ca -0.12 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 2dyy s VAL 77 Cb -0.16 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 2dyy s VAL 77 CO 0.06 0.51 0.04 -0.31 0.00 0.00 0.00 175.10 175.41 2dyy s TYR 78 N 1.05 3.09 0.07 5.22 2.02 -0.32 -0.80 117.35 127.67 2dyy s TYR 78 Ca -0.01 -0.90 0.05 0.00 -0.37 0.00 0.00 57.07 55.85 2dyy s TYR 78 Cb -0.15 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 2dyy s TYR 78 CO -0.04 -0.54 -0.07 -0.51 -1.57 0.00 0.00 175.55 172.82 2dyy s LEU 79 N 1.51 3.16 0.05 -1.29 1.43 -0.05 -1.85 118.68 121.63 2dyy s LEU 79 Ca 0.04 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 2dyy s LEU 79 Cb -0.16 -1.90 -0.14 0.00 0.03 0.00 0.00 46.19 44.02 2dyy s LEU 79 CO 0.01 0.21 1.32 0.50 0.23 0.00 0.00 176.35 178.62 2dyy h LYS 80 N 3.88 0.43 -3.30 1.70 3.64 -1.74 0.73 116.57 121.90 2dyy h LYS 80 Ca -0.48 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 58.55 2dyy h LYS 80 Cb 1.17 0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 32.84 2dyy h LYS 80 CO 0.54 0.84 -0.24 0.16 -2.27 0.00 0.00 179.45 178.48 2dyy s ASP 81 N -6.28 -0.13 1.23 4.20 1.47 -1.26 -4.53 116.67 111.37 2dyy s ASP 81 Ca -0.14 -0.20 -0.15 0.00 1.18 0.00 0.00 52.55 53.25 2dyy s ASP 81 Cb 0.06 0.36 0.22 0.00 -0.34 0.00 0.00 42.92 43.22 2dyy s ASP 81 CO 0.78 -0.63 0.65 1.15 0.68 0.00 0.00 175.17 177.80 2dyy n MET 82 N 0.53 -3.07 -0.80 2.11 -0.00 -1.26 -3.56 117.12 111.07 2dyy n MET 82 Ca -0.18 -1.06 0.00 0.00 -0.00 0.00 0.00 57.70 56.46 2dyy n MET 82 Cb 0.60 -1.14 0.00 0.00 -0.00 0.00 0.00 33.22 32.68 2dyy n MET 82 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2dyy n ASN 83 N -4.50 -2.05 -0.00 3.17 6.94 -1.26 -4.63 115.26 112.93 2dyy n ASN 83 Ca 0.09 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.67 2dyy n ASN 83 Cb 0.39 -2.01 -0.02 0.00 -2.36 0.00 0.00 39.78 35.78 2dyy n ASN 83 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2dyy n ASP 84 N -0.27 2.88 -0.37 0.53 9.92 -1.23 -4.70 116.55 123.31 2dyy n ASP 84 Ca 0.00 -0.20 -0.01 0.00 -0.53 0.00 0.00 54.79 54.05 2dyy n ASP 84 Cb 0.14 1.07 0.13 0.00 -0.64 0.00 0.00 41.12 41.82 2dyy n ASP 84 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2dyy h PHE 85 N 0.00 1.24 0.93 1.24 3.04 -1.82 -1.56 116.94 120.01 2dyy h PHE 85 Ca 0.00 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 2dyy h PHE 85 Cb 0.09 -0.42 0.01 0.00 2.56 0.00 0.00 35.95 38.19 2dyy h PHE 85 CO 0.00 0.74 -0.45 0.00 -2.02 0.00 0.00 178.31 176.58 2dyy h ALA 86 N 1.40 -1.28 -0.80 2.41 0.00 -1.98 0.87 119.26 119.89 2dyy h ALA 86 Ca 0.38 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2dyy h ALA 86 Cb -0.06 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2dyy h ALA 86 CO -0.11 -1.18 0.45 0.87 0.00 0.00 0.00 179.25 179.29 2dyy h LYS 87 N -1.32 0.75 -0.54 0.00 1.57 -1.86 -1.16 116.57 114.00 2dyy h LYS 87 Ca -0.13 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2dyy h LYS 87 Cb 0.96 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 2dyy h LYS 87 CO 0.21 0.49 0.32 1.98 -0.57 0.00 0.00 179.45 181.89 2dyy h MET 88 N 0.77 0.62 0.00 3.15 4.05 -1.18 -2.33 114.93 120.01 2dyy h MET 88 Ca 0.39 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.73 2dyy h MET 88 Cb 0.35 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2dyy h MET 88 CO -0.24 0.41 -0.18 -0.97 0.23 0.00 0.00 176.91 176.16 2dyy h ASN 89 N 0.63 0.00 -0.23 1.39 -1.24 0.34 0.03 115.58 116.51 2dyy h ASN 89 Ca 0.22 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.17 2dyy h ASN 89 Cb 0.04 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 2dyy h ASN 89 CO -0.10 0.18 -0.10 -0.33 -1.29 0.00 0.00 177.43 175.79 2dyy h GLU 90 N 0.00 0.47 -0.16 6.67 5.08 -0.73 -2.18 114.58 123.72 2dyy h GLU 90 Ca -0.00 -0.20 -0.19 0.00 -1.00 0.00 0.00 59.36 57.97 2dyy h GLU 90 Cb 0.49 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2dyy h GLU 90 CO 0.02 0.73 -0.67 0.28 -1.00 0.00 0.00 179.01 178.37 2dyy h VAL 91 N 0.18 1.32 -0.93 3.13 2.07 -1.37 -3.15 116.25 117.50 2dyy h VAL 91 Ca 0.05 -1.94 0.06 0.00 0.82 0.00 0.00 66.70 65.69 2dyy h VAL 91 Cb 0.58 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 2dyy h VAL 91 CO 0.03 0.61 0.59 0.22 0.02 0.00 0.00 177.57 179.04 2dyy h TYR 92 N 0.45 1.10 0.00 1.57 5.03 -0.92 -0.99 116.97 123.21 2dyy h TYR 92 Ca -0.02 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2dyy h TYR 92 Cb 1.26 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 39.18 2dyy h TYR 92 CO 0.06 0.58 -0.06 0.00 -1.32 0.00 0.00 178.16 177.42 2dyy h ALA 93 N 1.41 1.11 -0.02 1.82 0.00 -1.35 -0.22 119.26 122.00 2dyy h ALA 93 Ca 0.39 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2dyy h ALA 93 Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2dyy h ALA 93 CO -0.16 0.08 -0.43 1.49 0.00 0.00 0.00 179.25 180.23 2dyy h GLU 94 N 0.00 0.04 0.00 0.00 4.81 -1.20 -0.50 114.58 117.73 2dyy h GLU 94 Ca -0.00 -0.02 -0.37 0.00 -0.13 0.00 0.00 59.36 58.84 2dyy h GLU 94 Cb 0.34 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 2dyy h GLU 94 CO 0.01 0.46 -2.39 0.66 -0.73 0.00 0.00 179.01 177.02 2dyy n TYR 95 N -4.03 0.05 -0.73 0.92 4.02 -0.53 -4.67 117.16 112.20 2dyy n TYR 95 Ca -0.02 0.02 0.02 0.00 -0.01 0.00 0.00 57.90 57.91 2dyy n TYR 95 Cb 0.46 -1.01 0.03 0.00 -0.02 0.00 0.00 39.34 38.80 2dyy n TYR 95 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2dyy n PHE 96 N -2.91 0.00 0.26 -0.72 3.72 -0.21 -4.82 117.46 112.79 2dyy n PHE 96 Ca -0.36 -0.44 0.06 0.00 -0.05 0.00 0.00 57.45 56.66 2dyy n PHE 96 Cb 1.11 -0.06 0.28 0.00 -0.94 0.00 0.00 39.48 39.87 2dyy n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dyy n GLY 97 N -0.55 -0.85 0.20 1.37 0.00 -0.20 -1.44 105.19 103.72 2dyy n GLY 97 Ca 0.04 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 2dyy n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dyy n GLU 98 N -1.75 0.41 0.16 1.61 -0.58 -1.26 -4.62 120.64 114.62 2dyy n GLU 98 Ca 0.01 0.12 0.08 0.00 -0.42 0.00 0.00 57.16 56.95 2dyy n GLU 98 Cb 0.10 -1.28 0.08 0.00 -0.57 0.00 0.00 31.44 29.77 2dyy n GLU 98 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2dyy h SER 99 N -0.21 0.00 -6.16 1.62 4.64 -1.91 -3.49 113.55 108.04 2dyy h SER 99 Ca -0.40 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.54 2dyy h SER 99 Cb 1.53 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.63 2dyy h SER 99 CO -0.13 0.21 -0.99 0.29 -0.87 0.00 0.00 176.83 175.35 2dyy n LYS 100 N -3.07 -1.46 -1.61 4.77 5.02 -0.52 -4.96 118.16 116.32 2dyy n LYS 100 Ca 0.02 0.91 -0.29 0.00 -2.02 0.00 0.00 58.31 56.93 2dyy n LYS 100 Cb 0.63 -1.76 0.13 0.00 -0.02 0.00 0.00 35.03 34.00 2dyy n LYS 100 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2dyy s PRO 101 N -3.26 1.27 0.48 1.97 0.04 -1.26 -4.99 135.00 129.25 2dyy s PRO 101 Ca 0.17 0.24 -0.23 0.00 0.04 0.00 0.00 61.00 61.22 2dyy s PRO 101 Cb -0.02 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 2dyy s PRO 101 CO 0.75 -2.10 1.28 0.00 0.04 0.00 0.00 177.00 176.97 2dyy s ALA 102 N -3.35 2.98 0.01 8.56 0.00 0.00 -4.84 121.76 125.13 2dyy s ALA 102 Ca 0.64 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.74 2dyy s ALA 102 Cb -0.14 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2dyy s ALA 102 CO 0.52 -1.01 0.06 0.50 0.00 0.00 0.00 175.76 175.84 2dyy s ARG 103 N -2.68 0.42 -0.07 0.00 3.52 -1.26 -0.87 118.95 118.00 2dyy s ARG 103 Ca 0.65 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 2dyy s ARG 103 Cb -0.36 0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.22 2dyy s ARG 103 CO 0.44 -0.09 -0.05 0.08 -0.81 0.00 0.00 175.30 174.86 2dyy s VAL 104 N -1.49 0.73 -0.10 7.11 1.01 -0.80 -4.99 120.40 121.87 2dyy s VAL 104 Ca -0.15 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2dyy s VAL 104 Cb -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2dyy s VAL 104 CO 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 175.10 175.23 2dyy s ALA 105 N 1.36 1.70 0.06 5.51 0.00 -1.26 -0.26 121.76 128.87 2dyy s ALA 105 Ca -0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2dyy s ALA 105 Cb -0.14 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2dyy s ALA 105 CO -0.03 0.06 0.07 0.54 0.00 0.00 0.00 175.76 176.40 2dyy s VAL 106 N 0.74 0.17 -0.23 0.00 0.11 0.02 -4.96 120.40 116.25 2dyy s VAL 106 Ca -0.12 -1.39 -0.07 0.00 -2.93 0.00 0.00 61.98 57.48 2dyy s VAL 106 Cb -0.16 -1.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.43 2dyy s VAL 106 CO 0.02 -0.77 0.05 -0.70 -3.33 0.00 0.00 175.10 170.37 2dyy s GLU 107 N -3.42 3.67 0.26 1.54 2.12 -1.26 -0.87 118.70 120.73 2dyy s GLU 107 Ca 0.02 -0.48 0.03 0.00 0.36 0.00 0.00 54.97 54.90 2dyy s GLU 107 Cb 0.04 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 31.22 2dyy s GLU 107 CO -0.08 -0.08 0.23 1.33 -0.54 0.00 0.00 175.26 176.11 2dyy n VAL 108 N 4.58 0.00 -0.07 3.70 0.24 0.25 -4.92 118.33 122.11 2dyy n VAL 108 Ca -0.16 -0.99 -0.09 0.00 -2.04 0.00 0.00 64.34 61.05 2dyy n VAL 108 Cb 0.52 -0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 2dyy n VAL 108 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2dyy h SER 109 N 0.25 0.00 -4.21 -1.34 0.02 -1.84 -3.42 113.55 103.01 2dyy h SER 109 Ca -0.15 -0.28 -0.27 0.00 -0.84 0.00 0.00 61.79 60.24 2dyy h SER 109 Cb 0.59 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.88 2dyy h SER 109 CO 0.24 0.91 -0.73 -0.60 -1.14 0.00 0.00 176.83 175.50 2dyy s ARG 110 N -2.09 0.33 0.30 3.45 3.52 -1.26 -4.91 118.95 118.29 2dyy s ARG 110 Ca -0.15 -0.33 0.09 0.00 -0.13 0.00 0.00 55.73 55.21 2dyy s ARG 110 Cb 0.02 -0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.16 2dyy s ARG 110 CO 0.33 0.05 0.07 -0.51 -0.81 0.00 0.00 175.30 174.43 2dyy s LEU 111 N -0.61 3.24 0.10 -0.88 1.43 -1.26 -5.01 118.68 115.68 2dyy s LEU 111 Ca -0.04 -0.70 -0.34 0.00 -1.03 0.00 0.00 54.13 52.02 2dyy s LEU 111 Cb -0.04 -1.74 -0.14 0.00 0.03 0.00 0.00 46.19 44.30 2dyy s LEU 111 CO -0.00 -0.14 1.60 -2.65 0.23 0.00 0.00 176.35 175.38 2dyy n PRO 112 N -1.02 2.00 -1.39 1.29 -0.02 -1.26 -0.45 135.00 134.14 2dyy n PRO 112 Ca -0.05 0.72 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 2dyy n PRO 112 Cb 0.60 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.88 -0.89 -3.65 -0.52 4.01 -1.26 -3.28 118.16 116.45 2dyy n LYS 113 Ca 0.18 0.94 -0.28 0.00 -0.51 0.00 0.00 58.31 58.65 2dyy n LYS 113 Cb 0.27 -4.98 -0.00 0.00 -0.51 0.00 0.00 35.03 29.81 2dyy n LYS 113 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2dyy n ASP 114 N -0.06 -4.00 -4.77 4.39 -0.08 0.40 -4.97 116.55 107.47 2dyy n ASP 114 Ca -0.13 -0.60 -0.29 0.00 -1.51 0.00 0.00 54.79 52.26 2dyy n ASP 114 Cb 0.42 -3.27 0.13 0.00 2.34 0.00 0.00 41.12 40.74 2dyy n ASP 114 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2dyy s VAL 115 N -3.09 2.36 -0.70 5.18 -7.23 -1.20 -4.88 120.40 110.83 2dyy s VAL 115 Ca 0.53 0.12 0.26 0.00 -1.81 0.00 0.00 61.98 61.07 2dyy s VAL 115 Cb -0.28 -2.80 0.22 0.00 0.56 0.00 0.00 36.38 34.08 2dyy s VAL 115 CO 0.65 -0.15 1.64 0.18 -0.31 0.00 0.00 175.10 177.11 2dyy n LEU 116 N -3.75 0.79 -3.58 1.32 4.77 -1.26 -4.50 117.00 110.78 2dyy n LEU 116 Ca 0.06 0.47 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 2dyy n LEU 116 Cb 0.58 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2dyy n LEU 116 CO 0.57 -0.14 0.60 -0.51 -1.33 0.00 0.00 177.39 176.57 2dyy s ILE 117 N -3.12 0.00 0.01 -0.08 2.07 -1.26 -2.57 121.20 116.26 2dyy s ILE 117 Ca 0.09 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.36 2dyy s ILE 117 Cb 0.13 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.70 2dyy s ILE 117 CO 0.63 0.00 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.87 2dyy s GLU 118 N -0.53 0.70 -0.02 3.50 2.12 -0.77 -4.20 118.70 119.50 2dyy s GLU 118 Ca -0.03 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2dyy s GLU 118 Cb -0.02 -0.65 0.03 0.00 0.26 0.00 0.00 34.13 33.75 2dyy s GLU 118 CO 0.02 0.17 0.03 0.42 -0.54 0.00 0.00 175.26 175.35 2dyy s ILE 119 N -0.59 -0.04 0.29 -3.70 1.01 -0.71 -1.18 121.20 116.29 2dyy s ILE 119 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.95 2dyy s ILE 119 Cb -0.06 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.28 2dyy s ILE 119 CO 0.00 0.09 0.02 -1.83 0.00 0.00 0.00 174.94 173.22 2dyy s GLU 120 N 1.04 2.26 0.02 2.79 -1.05 -0.88 -1.01 118.70 121.85 2dyy s GLU 120 Ca -0.09 -1.50 -0.28 0.00 -0.15 0.00 0.00 54.97 52.95 2dyy s GLU 120 Cb -0.13 -2.12 0.07 0.00 -0.44 0.00 0.00 34.13 31.52 2dyy s GLU 120 CO -0.03 0.28 0.68 0.00 0.95 0.00 0.00 175.26 177.14 2dyy s ALA 121 N -2.38 -1.72 -0.05 -0.84 0.00 -1.24 -2.14 121.76 113.38 2dyy s ALA 121 Ca 0.33 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.36 2dyy s ALA 121 Cb -0.05 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 2dyy s ALA 121 CO 0.20 -0.52 -0.18 0.42 0.00 0.00 0.00 175.76 175.68 2dyy s ILE 122 N -2.17 1.51 0.29 0.00 1.01 0.10 -1.72 121.20 120.23 2dyy s ILE 122 Ca -0.06 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.93 2dyy s ILE 122 Cb -0.00 -1.30 -0.06 0.00 0.01 0.00 0.00 42.46 41.10 2dyy s ILE 122 CO 0.01 0.43 -0.10 0.00 0.00 0.00 0.00 174.94 175.28 2dyy s ALA 123 N 0.13 2.54 -0.16 9.38 0.00 -0.51 0.10 121.76 133.25 2dyy s ALA 123 Ca -0.07 -1.93 -0.07 0.00 0.00 0.00 0.00 51.96 49.89 2dyy s ALA 123 Cb -0.13 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.08 2dyy s ALA 123 CO 0.03 0.04 0.36 -0.47 0.00 0.00 0.00 175.76 175.72 2dyy s TYR 124 N -2.82 -0.56 -0.17 0.00 5.04 0.15 -0.91 117.35 118.08 2dyy s TYR 124 Ca 0.30 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2dyy s TYR 124 Cb 0.02 0.19 0.03 0.00 0.35 0.00 0.00 41.96 42.54 2dyy s TYR 124 CO 0.13 -0.35 -0.12 0.21 -1.34 0.00 0.00 175.55 174.08 2dyy s LYS 125 N 1.77 2.14 0.00 4.97 2.20 -1.09 -4.70 119.74 125.03 2dyy s LYS 125 Ca -0.06 -0.66 0.14 0.00 -0.36 0.00 0.00 55.97 55.02 2dyy s LYS 125 Cb -0.10 -2.21 0.82 0.00 -1.51 0.00 0.00 37.83 34.83 2dyy s LYS 125 CO -0.11 -0.32 1.24 -0.85 -0.36 0.00 0.00 175.35 174.95