#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 2.79 -0.03 2.12 2.20 -1.26 -2.07 119.74 123.50 2dyy s LYS 2 Ca 0.00 -0.82 0.04 0.00 -0.36 0.00 0.00 55.97 54.83 2dyy s LYS 2 Cb 0.00 -2.16 -0.01 0.00 -1.51 0.00 0.00 37.83 34.16 2dyy s LYS 2 CO 0.00 0.19 -0.16 -1.21 -0.36 0.00 0.00 175.35 173.81 2dyy s GLU 3 N 0.31 1.52 -0.31 4.03 8.01 -0.41 -4.98 118.70 126.86 2dyy s GLU 3 Ca -0.16 -0.57 -0.14 0.00 0.01 0.00 0.00 54.97 54.11 2dyy s GLU 3 Cb -0.17 -1.38 -0.03 0.00 -4.31 0.00 0.00 34.13 28.24 2dyy s GLU 3 CO 0.08 0.28 0.32 0.08 0.01 0.00 0.00 175.26 176.02 2dyy s VAL 4 N -0.13 5.21 0.14 2.63 1.01 -1.26 -0.48 120.40 127.52 2dyy s VAL 4 Ca 0.01 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 2dyy s VAL 4 Cb -0.09 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2dyy s VAL 4 CO 0.01 0.07 0.64 -0.63 0.00 0.00 0.00 175.10 175.18 2dyy s ILE 5 N 1.95 4.66 -0.17 2.22 1.09 -0.03 -5.02 121.20 125.90 2dyy s ILE 5 Ca 0.11 1.24 -0.06 0.00 -1.10 0.00 0.00 60.65 60.84 2dyy s ILE 5 Cb -0.16 -3.90 0.08 0.00 -1.06 0.00 0.00 42.46 37.42 2dyy s ILE 5 CO 0.11 0.41 0.36 0.12 -0.10 0.00 0.00 174.94 175.83 2dyy s PHE 6 N -1.28 -0.65 -0.00 3.97 5.36 -1.26 -4.04 117.98 120.07 2dyy s PHE 6 Ca 0.35 1.30 0.05 0.00 -0.96 0.00 0.00 56.93 57.67 2dyy s PHE 6 Cb -0.19 0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.65 2dyy s PHE 6 CO 0.21 -0.43 -0.15 -0.08 -1.46 0.00 0.00 175.22 173.30 2dyy s THR 7 N 2.54 1.18 -1.52 0.12 -1.32 -1.26 -5.01 115.64 110.37 2dyy s THR 7 Ca -0.00 -0.69 0.27 0.00 -1.21 0.00 0.00 61.69 60.06 2dyy s THR 7 Cb -0.12 -0.99 0.53 0.00 -1.51 0.00 0.00 72.50 70.40 2dyy s THR 7 CO -0.11 0.29 1.95 1.21 -2.21 0.00 0.00 174.62 175.75 2dyy n GLU 8 N 2.60 0.46 0.00 7.08 4.07 -1.26 -2.98 120.64 130.61 2dyy n GLU 8 Ca -0.15 0.03 0.14 0.00 -0.06 0.00 0.00 57.16 57.12 2dyy n GLU 8 Cb 0.55 -1.50 0.64 0.00 -0.06 0.00 0.00 31.44 31.07 2dyy n GLU 8 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2dyy n ASN 9 N -1.24 0.29 -4.30 4.31 3.02 -1.26 -4.82 115.26 111.26 2dyy n ASN 9 Ca 0.14 -0.37 -0.17 0.00 -0.03 0.00 0.00 54.58 54.16 2dyy n ASN 9 Cb 0.20 -0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.56 1.76 0.12 5.41 0.00 -1.16 -4.79 121.76 120.55 2dyy s ALA 10 Ca 0.27 -1.59 -0.34 0.00 0.00 0.00 0.00 51.96 50.30 2dyy s ALA 10 Cb 0.20 -0.00 -0.14 0.00 0.00 0.00 0.00 23.12 23.18 2dyy s ALA 10 CO 0.48 -0.02 1.59 -2.30 0.00 0.00 0.00 175.76 175.52 2dyy n PRO 11 N -0.30 2.06 -2.36 0.00 -0.02 -1.26 -4.89 135.00 128.23 2dyy n PRO 11 Ca -0.09 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2dyy n PRO 11 Cb 0.61 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 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 1.27 4.36 -0.14 -0.52 2.20 -1.26 -4.94 119.74 120.70 2dyy s LYS 12 Ca 0.81 1.81 -0.29 0.00 -0.36 0.00 0.00 55.97 57.94 2dyy s LYS 12 Cb -0.71 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 2dyy s LYS 12 CO 0.40 -0.42 1.56 -1.25 -0.36 0.00 0.00 175.35 175.29 2dyy s PRO 13 N 1.78 4.04 0.44 4.03 0.04 -1.26 -4.87 135.00 139.20 2dyy s PRO 13 Ca 0.60 1.88 0.24 0.00 0.04 0.00 0.00 61.00 63.76 2dyy s PRO 13 Cb -0.29 -3.96 0.73 0.00 0.04 0.00 0.00 34.50 31.02 2dyy s PRO 13 CO 0.26 -0.99 1.74 0.82 0.04 0.00 0.00 177.00 178.87 2dyy h ILE 14 N 5.78 0.37 -2.18 0.56 2.04 -1.93 -3.46 117.51 118.69 2dyy h ILE 14 Ca -0.35 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.36 2dyy h ILE 14 Cb 1.15 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2dyy h ILE 14 CO 0.98 0.17 0.00 0.61 0.00 0.00 0.00 178.15 179.91 2dyy n GLY 15 N 0.53 -0.15 0.82 5.37 0.00 -1.26 -4.98 105.19 105.52 2dyy n GLY 15 Ca 0.01 -1.78 0.03 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.61 2.12 -3.80 1.61 -0.04 -1.26 -4.93 135.00 128.09 2dyy n PRO 16 Ca 0.00 -1.05 -0.24 0.00 -0.04 0.00 0.00 63.50 62.17 2dyy n PRO 16 Cb 0.00 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.63 2.11 0.27 0.54 1.13 -1.26 -5.15 117.35 113.36 2dyy s TYR 17 Ca 0.19 -0.69 0.08 0.00 -1.41 0.00 0.00 57.07 55.24 2dyy s TYR 17 Cb 0.13 -2.01 -0.04 0.00 -1.10 0.00 0.00 41.96 38.94 2dyy s TYR 17 CO 0.08 -0.28 0.10 -1.12 -2.51 0.00 0.00 175.55 171.82 2dyy s SER 18 N -4.19 4.96 0.26 -0.18 0.01 -1.26 -4.77 113.70 108.53 2dyy s SER 18 Ca 0.40 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 2dyy s SER 18 Cb -0.02 -1.05 0.33 0.00 0.21 0.00 0.00 66.02 65.49 2dyy s SER 18 CO 0.24 -0.06 1.72 1.56 0.41 0.00 0.00 173.24 177.11 2dyy h GLN 19 N 1.67 0.70 -1.54 12.44 4.20 -1.93 -3.40 115.11 127.25 2dyy h GLN 19 Ca -0.46 -0.23 0.08 0.00 0.06 0.00 0.00 58.65 58.11 2dyy h GLN 19 Cb 1.25 -0.06 -0.24 0.00 0.30 0.00 0.00 27.48 28.73 2dyy h GLN 19 CO 0.61 0.80 0.55 0.00 -0.67 0.00 0.00 178.83 180.11 2dyy s ALA 20 N -4.76 -1.95 -0.08 3.87 0.00 -1.26 -0.61 121.76 116.96 2dyy s ALA 20 Ca -0.09 1.66 0.03 0.00 0.00 0.00 0.00 51.96 53.56 2dyy s ALA 20 Cb 0.14 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2dyy s ALA 20 CO 0.81 -0.29 -0.20 0.42 0.00 0.00 0.00 175.76 176.51 2dyy s ILE 21 N -0.82 1.71 -0.25 0.00 -1.09 -0.59 -0.85 121.20 119.30 2dyy s ILE 21 Ca -0.00 -0.82 -0.10 0.00 -2.23 0.00 0.00 60.65 57.50 2dyy s ILE 21 Cb -0.01 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 2dyy s ILE 21 CO -0.01 0.48 0.14 -0.75 -1.23 0.00 0.00 174.94 173.58 2dyy s LYS 22 N 0.43 3.91 -0.17 2.79 2.20 0.37 -1.34 119.74 127.92 2dyy s LYS 22 Ca -0.16 -0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 55.09 2dyy s LYS 22 Cb -0.17 -3.51 0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2dyy s LYS 22 CO 0.07 -0.09 -0.05 0.00 -0.36 0.00 0.00 175.35 174.92 2dyy s ALA 23 N 1.44 1.52 0.00 3.13 0.00 -0.13 -1.29 121.76 126.42 2dyy s ALA 23 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2dyy s ALA 23 Cb -0.15 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2dyy s ALA 23 CO 0.07 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2dyy n GLY 24 N 4.86 2.23 0.48 0.00 0.00 -0.88 -1.57 105.19 110.31 2dyy n GLY 24 Ca -0.12 -0.49 0.12 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 2.94 1.46 -4.89 1.61 5.03 -1.26 -4.81 115.26 115.34 2dyy n ASN 25 Ca 0.00 -1.56 -0.35 0.00 0.87 0.00 0.00 54.58 53.54 2dyy n ASN 25 Cb 0.00 -0.05 -0.05 0.00 -1.02 0.00 0.00 39.78 38.66 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 -1.91 3.58 -0.12 3.10 0.08 -0.61 -1.42 117.98 120.69 2dyy s PHE 26 Ca 0.36 0.55 0.03 0.00 0.12 0.00 0.00 56.93 57.99 2dyy s PHE 26 Cb 0.19 -1.97 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2dyy s PHE 26 CO 0.30 0.62 -0.20 -1.17 -0.10 0.00 0.00 175.22 174.67 2dyy s LEU 27 N -1.76 1.97 -0.33 -0.37 2.96 0.07 -0.95 118.68 120.27 2dyy s LEU 27 Ca 0.27 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2dyy s LEU 27 Cb -0.13 -1.30 0.06 0.00 0.50 0.00 0.00 46.19 45.32 2dyy s LEU 27 CO 0.16 0.08 0.06 -0.36 -1.32 0.00 0.00 176.35 174.97 2dyy s PHE 28 N 0.75 3.31 -0.14 5.38 0.08 -0.45 -1.20 117.98 125.71 2dyy s PHE 28 Ca -0.10 -1.83 -0.18 0.00 0.12 0.00 0.00 56.93 54.94 2dyy s PHE 28 Cb -0.16 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.92 2dyy s PHE 28 CO 0.01 -0.81 0.47 0.42 -0.10 0.00 0.00 175.22 175.21 2dyy s ILE 29 N 1.28 5.18 0.75 0.64 1.01 -0.64 -1.54 121.20 127.88 2dyy s ILE 29 Ca -0.02 0.93 -0.13 0.00 0.00 0.00 0.00 60.65 61.42 2dyy s ILE 29 Cb -0.20 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.51 2dyy s ILE 29 CO -0.00 0.29 1.16 0.00 0.00 0.00 0.00 174.94 176.39 2dyy s ALA 30 N 0.86 2.10 0.12 9.38 0.00 0.22 -3.62 121.76 130.81 2dyy s ALA 30 Ca 0.25 0.67 -0.34 0.00 0.00 0.00 0.00 51.96 52.54 2dyy s ALA 30 Cb -0.15 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.43 2dyy s ALA 30 CO 0.10 -1.89 1.64 0.41 0.00 0.00 0.00 175.76 176.01 2dyy n GLY 31 N -0.06 1.21 3.59 0.00 0.00 -1.26 -4.71 105.19 103.96 2dyy n GLY 31 Ca 0.12 0.69 -0.34 0.00 0.00 0.00 0.00 46.02 46.48 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 1.47 3.54 0.30 1.61 -1.52 -0.33 -4.90 119.66 119.83 2dyy s GLN 32 Ca 0.81 -0.44 0.08 0.00 -1.95 0.00 0.00 55.36 53.86 2dyy s GLN 32 Cb -0.67 -2.96 -0.04 0.00 -0.22 0.00 0.00 33.01 29.13 2dyy s GLN 32 CO 0.40 0.40 0.18 0.96 -0.25 0.00 0.00 175.29 176.97 2dyy s ILE 33 N -0.03 3.68 0.00 1.08 -4.36 -1.26 -2.17 121.20 118.13 2dyy s ILE 33 Ca 0.03 -1.54 -0.00 0.00 -0.26 0.00 0.00 60.65 58.87 2dyy s ILE 33 Cb -0.13 -3.15 -0.02 0.00 1.25 0.00 0.00 42.46 40.41 2dyy s ILE 33 CO 0.02 -0.26 0.63 -0.81 0.24 0.00 0.00 174.94 174.75 2dyy n PRO 34 N -1.19 0.23 -3.50 0.37 -0.04 -1.26 -4.59 135.00 125.02 2dyy n PRO 34 Ca -0.05 -0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 62.97 2dyy n PRO 34 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 2.17 5.18 -0.33 0.52 1.01 -1.26 -1.93 121.20 126.55 2dyy s ILE 35 Ca 0.05 0.73 -0.20 0.00 0.00 0.00 0.00 60.65 61.23 2dyy s ILE 35 Cb 0.02 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 2dyy s ILE 35 CO 0.00 0.47 0.64 -0.62 0.00 0.00 0.00 174.94 175.43 2dyy s ASP 36 N -0.25 6.47 0.32 3.58 3.68 -0.92 -4.71 116.67 124.84 2dyy s ASP 36 Ca 0.21 0.30 0.01 0.00 2.13 0.00 0.00 52.55 55.20 2dyy s ASP 36 Cb -0.15 -2.33 0.55 0.00 -1.45 0.00 0.00 42.92 39.54 2dyy s ASP 36 CO 0.09 -0.54 1.97 1.55 0.13 0.00 0.00 175.17 178.38 2dyy h PRO 37 N 8.32 0.95 -0.32 4.34 0.13 -1.89 0.32 132.00 143.84 2dyy h PRO 37 Ca -0.26 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.75 2dyy h PRO 37 Cb 1.11 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 2dyy h PRO 37 CO 0.82 0.63 -0.07 0.87 -0.23 0.00 0.00 178.00 180.02 2dyy h LYS 38 N 0.98 0.52 0.00 0.86 1.79 -1.93 -3.29 116.57 115.50 2dyy h LYS 38 Ca 0.29 -0.13 -0.36 0.00 -2.18 0.00 0.00 60.65 58.27 2dyy h LYS 38 Cb -0.03 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.49 2dyy h LYS 38 CO -0.08 0.60 -2.36 -2.37 -1.08 0.00 0.00 179.45 174.16 2dyy n THR 39 N -4.23 1.36 -0.38 -0.16 5.66 -1.07 -5.01 114.28 110.45 2dyy n THR 39 Ca 0.01 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 2dyy n THR 39 Cb 0.29 -0.64 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 2dyy n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dyy n GLY 40 N 1.88 0.73 3.29 1.09 0.00 0.11 -5.06 105.19 107.23 2dyy n GLY 40 Ca -0.34 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.62 1.16 0.28 1.61 -1.05 -1.24 -4.88 118.70 113.96 2dyy s GLU 41 Ca 0.00 -1.31 -0.30 0.00 -0.15 0.00 0.00 54.97 53.21 2dyy s GLU 41 Cb 0.00 -1.18 -0.12 0.00 -0.44 0.00 0.00 34.13 32.39 2dyy s GLU 41 CO 0.00 0.24 1.60 -0.89 0.95 0.00 0.00 175.26 177.16 2dyy n ILE 42 N 0.49 0.91 -1.54 1.83 5.41 -1.26 -2.17 119.36 123.03 2dyy n ILE 42 Ca -0.15 -0.23 -0.29 0.00 1.00 0.00 0.00 62.75 63.08 2dyy n ILE 42 Cb 0.57 -1.94 0.22 0.00 -0.71 0.00 0.00 39.64 37.78 2dyy n ILE 42 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2dyy n VAL 43 N 2.33 0.00 -1.10 1.39 0.24 -0.81 -4.90 118.33 115.47 2dyy n VAL 43 Ca 0.09 -0.76 -0.36 0.00 -2.04 0.00 0.00 64.34 61.27 2dyy n VAL 43 Cb 0.36 -1.39 0.05 0.00 -1.47 0.00 0.00 33.84 31.39 2dyy n VAL 43 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2dyy n LYS 44 N -4.25 0.04 0.00 7.34 5.02 -1.26 -4.86 118.16 120.19 2dyy n LYS 44 Ca 0.16 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2dyy n LYS 44 Cb 0.58 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2dyy n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dyy n GLY 45 N 2.55 -0.37 3.73 0.72 0.00 -1.26 -4.38 105.19 106.19 2dyy n GLY 45 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.78 7.45 0.37 1.61 -1.08 -1.26 -4.94 116.67 118.03 2dyy s ASP 46 Ca 0.00 1.91 0.05 0.00 -0.52 0.00 0.00 52.55 53.99 2dyy s ASP 46 Cb 0.00 -2.60 0.72 0.00 -1.46 0.00 0.00 42.92 39.58 2dyy s ASP 46 CO 0.00 -0.08 2.00 -0.29 0.52 0.00 0.00 175.17 177.32 2dyy h ILE 47 N 3.80 1.10 -0.31 4.11 6.09 -1.98 -1.01 117.51 129.31 2dyy h ILE 47 Ca -0.44 -0.26 -0.18 0.00 -1.37 0.00 0.00 64.86 62.61 2dyy h ILE 47 Cb 1.21 0.27 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 2dyy h ILE 47 CO 0.71 0.14 -0.51 0.50 -3.07 0.00 0.00 178.15 175.92 2dyy h LYS 48 N 0.76 0.89 -0.18 2.19 3.64 -1.92 -1.58 116.57 120.38 2dyy h LYS 48 Ca 0.24 -0.54 -0.05 0.00 -1.27 0.00 0.00 60.65 59.04 2dyy h LYS 48 Cb 0.04 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2dyy h LYS 48 CO -0.06 1.18 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.79 2dyy h ASP 49 N 0.70 0.36 -0.62 4.20 3.32 -1.76 -2.38 116.42 120.23 2dyy h ASP 49 Ca 0.03 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.63 2dyy h ASP 49 Cb 1.12 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 2dyy h ASP 49 CO 0.12 0.68 0.19 1.56 -1.72 0.00 0.00 179.24 180.06 2dyy h GLN 50 N 0.05 0.96 -0.65 3.56 4.20 -1.25 -1.58 115.11 120.40 2dyy h GLN 50 Ca 0.04 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.57 2dyy h GLN 50 Cb 0.53 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 2dyy h GLN 50 CO 0.02 0.85 0.41 1.15 -0.67 0.00 0.00 178.83 180.59 2dyy h THR 51 N 0.89 1.10 -0.10 -0.54 2.02 -1.28 -0.79 112.91 114.22 2dyy h THR 51 Ca 0.20 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 2dyy h THR 51 Cb 0.29 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2dyy h THR 51 CO -0.01 0.15 -0.38 -0.09 0.37 0.00 0.00 175.52 175.57 2dyy h ARG 52 N 0.81 0.20 -0.16 6.66 2.43 -1.18 -1.80 114.38 121.34 2dyy h ARG 52 Ca 0.25 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2dyy h ARG 52 Cb -0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2dyy h ARG 52 CO -0.09 0.55 -0.23 0.37 -1.51 0.00 0.00 179.97 179.07 2dyy h GLN 53 N 0.17 0.44 -0.54 0.20 5.75 -0.71 -1.44 115.11 118.99 2dyy h GLN 53 Ca 0.02 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2dyy h GLN 53 Cb 0.75 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 2dyy h GLN 53 CO 0.06 0.84 0.32 0.28 -2.65 0.00 0.00 178.83 177.68 2dyy h VAL 54 N 0.07 1.15 0.01 2.39 2.07 -1.03 -2.27 116.25 118.65 2dyy h VAL 54 Ca 0.02 -0.35 -0.19 0.00 0.82 0.00 0.00 66.70 66.99 2dyy h VAL 54 Cb 0.79 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2dyy h VAL 54 CO 0.05 0.16 -0.90 -0.07 0.02 0.00 0.00 177.57 176.84 2dyy h LEU 55 N 0.74 0.11 -0.49 2.57 4.07 -1.23 -2.64 115.31 118.43 2dyy h LEU 55 Ca 0.19 -0.09 -0.15 0.00 0.08 0.00 0.00 57.88 57.91 2dyy h LEU 55 Cb -0.02 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 2dyy h LEU 55 CO -0.04 0.95 -0.42 -0.33 -1.08 0.00 0.00 178.44 177.52 2dyy h GLU 56 N 0.04 0.77 -0.15 1.13 5.08 -0.88 -1.11 114.58 119.46 2dyy h GLU 56 Ca -0.03 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2dyy h GLU 56 Cb 1.56 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 2dyy h GLU 56 CO 0.13 1.04 0.04 -0.91 -1.00 0.00 0.00 179.01 178.31 2dyy h ASN 57 N 0.62 0.22 -0.96 1.42 2.35 -1.42 0.02 115.58 117.83 2dyy h ASN 57 Ca 0.05 -0.22 0.05 0.00 -0.55 0.00 0.00 56.30 55.63 2dyy h ASN 57 Cb 0.98 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 39.23 2dyy h ASN 57 CO 0.09 0.38 0.62 0.40 -1.65 0.00 0.00 177.43 177.27 2dyy h ILE 58 N 0.05 1.12 -0.39 2.81 2.04 -1.43 0.30 117.51 122.02 2dyy h ILE 58 Ca 0.05 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2dyy h ILE 58 Cb 0.24 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2dyy h ILE 58 CO -0.00 0.21 0.19 0.50 0.00 0.00 0.00 178.15 179.05 2dyy h LYS 59 N 1.16 0.55 0.01 2.37 3.64 -0.76 -0.65 116.57 122.90 2dyy h LYS 59 Ca 0.40 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2dyy h LYS 59 Cb 0.09 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2dyy h LYS 59 CO -0.15 0.48 -0.01 0.00 -2.27 0.00 0.00 179.45 177.50 2dyy h ALA 60 N 1.05 -0.02 -0.56 5.00 0.00 0.04 -0.75 119.26 124.02 2dyy h ALA 60 Ca 0.13 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2dyy h ALA 60 Cb 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2dyy h ALA 60 CO -0.02 -0.49 0.33 0.82 0.00 0.00 0.00 179.25 179.90 2dyy h ILE 61 N -0.06 1.06 -0.44 0.00 2.04 -0.87 -0.34 117.51 118.90 2dyy h ILE 61 Ca -0.00 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.70 2dyy h ILE 61 Cb 0.05 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 2dyy h ILE 61 CO 0.00 0.12 0.09 -0.07 0.00 0.00 0.00 178.15 178.29 2dyy h LEU 62 N 0.66 0.01 -0.93 1.44 3.38 -0.87 -0.63 115.31 118.37 2dyy h LEU 62 Ca 0.23 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2dyy h LEU 62 Cb 0.03 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2dyy h LEU 62 CO -0.10 0.04 0.32 -0.33 0.09 0.00 0.00 178.44 178.46 2dyy h GLU 63 N 0.22 1.10 0.00 1.13 5.08 -0.44 -0.32 114.58 121.35 2dyy h GLU 63 Ca 0.22 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 2dyy h GLU 63 Cb 0.27 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2dyy h GLU 63 CO -0.28 0.87 -0.44 0.00 -1.00 0.00 0.00 179.01 178.16 2dyy h ALA 64 N 1.27 1.24 -0.00 3.43 0.00 -0.40 -2.80 119.26 122.00 2dyy h ALA 64 Ca 0.25 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2dyy h ALA 64 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2dyy h ALA 64 CO -0.03 0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.69 2dyy n ALA 65 N -2.44 2.64 -0.84 0.00 0.00 -0.31 -4.92 120.51 114.65 2dyy n ALA 65 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2dyy n ALA 65 Cb 0.47 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.36 0.74 3.65 0.00 0.00 -0.94 -5.08 105.19 104.92 2dyy n GLY 66 Ca 0.12 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 2.54 0.37 1.61 2.02 -0.18 -5.02 117.35 116.68 2dyy s TYR 67 Ca 0.00 -0.65 0.05 0.00 -0.37 0.00 0.00 57.07 56.10 2dyy s TYR 67 Cb 0.00 -1.82 -0.07 0.00 -0.40 0.00 0.00 41.96 39.67 2dyy s TYR 67 CO 0.00 0.39 0.03 -1.54 -1.57 0.00 0.00 175.55 172.86 2dyy s SER 68 N -3.75 3.13 0.60 2.29 1.04 -1.26 -3.74 113.70 112.00 2dyy s SER 68 Ca 0.36 -1.38 0.32 0.00 0.48 0.00 0.00 55.95 55.74 2dyy s SER 68 Cb 0.09 -0.24 1.90 0.00 0.10 0.00 0.00 66.02 67.86 2dyy s SER 68 CO 0.19 -0.53 2.26 -0.07 0.98 0.00 0.00 173.24 176.07 2dyy h LEU 69 N 1.94 0.00 0.00 2.42 3.38 -1.94 -0.98 115.31 120.13 2dyy h LEU 69 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2dyy h LEU 69 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2dyy h LEU 69 CO 0.75 0.01 0.00 -3.20 0.09 0.00 0.00 178.44 176.10 2dyy n ASN 70 N -3.68 0.00 -0.29 -0.43 2.85 -1.26 -2.98 115.26 109.48 2dyy n ASN 70 Ca -0.03 0.15 0.12 0.00 -0.11 0.00 0.00 54.58 54.72 2dyy n ASN 70 Cb 0.10 -0.38 0.20 0.00 1.24 0.00 0.00 39.78 40.94 2dyy n ASN 70 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2dyy n ASP 71 N -1.38 1.32 -4.71 1.20 10.43 -0.37 -4.89 116.55 118.15 2dyy n ASP 71 Ca 0.10 -1.05 -0.42 0.00 2.57 0.00 0.00 54.79 55.99 2dyy n ASP 71 Cb 0.26 0.33 -0.03 0.00 1.84 0.00 0.00 41.12 43.52 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 -2.58 4.04 -0.04 2.53 1.01 -1.16 -0.51 120.40 123.70 2dyy s VAL 72 Ca 0.20 1.45 0.07 0.00 0.00 0.00 0.00 61.98 63.70 2dyy s VAL 72 Cb 0.18 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 2dyy s VAL 72 CO 0.58 0.08 0.10 2.30 0.00 0.00 0.00 175.10 178.16 2dyy n ILE 73 N 4.12 0.25 -3.75 2.22 -5.35 -0.08 -4.35 119.36 112.41 2dyy n ILE 73 Ca 0.10 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.21 2dyy n ILE 73 Cb 0.46 -0.25 -0.13 0.00 -1.74 0.00 0.00 39.64 37.98 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 -2.35 0.19 0.01 6.28 2.20 -1.04 -0.10 119.74 124.93 2dyy s LYS 74 Ca -0.03 0.43 0.03 0.00 -0.36 0.00 0.00 55.97 56.04 2dyy s LYS 74 Cb 0.04 -0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.28 2dyy s LYS 74 CO 0.31 -0.12 -0.11 0.08 -0.36 0.00 0.00 175.35 175.15 2dyy s VAL 75 N 0.89 0.85 -0.10 4.02 1.01 0.06 -0.34 120.40 126.79 2dyy s VAL 75 Ca -0.06 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2dyy s VAL 75 Cb -0.08 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2dyy s VAL 75 CO -0.05 0.13 -0.18 -0.89 0.00 0.00 0.00 175.10 174.10 2dyy s THR 76 N -0.47 1.66 -0.12 3.92 2.01 -0.15 -1.92 115.64 120.58 2dyy s THR 76 Ca 0.02 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.26 2dyy s THR 76 Cb -0.05 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 2dyy s THR 76 CO 0.00 0.47 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.59 2dyy s VAL 77 N 0.69 3.10 -0.24 3.82 1.01 0.03 -1.38 120.40 127.44 2dyy s VAL 77 Ca -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2dyy s VAL 77 Cb -0.16 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2dyy s VAL 77 CO 0.03 0.53 -0.05 -0.31 0.00 0.00 0.00 175.10 175.30 2dyy s TYR 78 N 0.20 3.03 0.17 5.22 2.02 0.74 -1.97 117.35 126.76 2dyy s TYR 78 Ca -0.08 -1.34 0.07 0.00 -0.37 0.00 0.00 57.07 55.35 2dyy s TYR 78 Cb -0.15 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2dyy s TYR 78 CO 0.05 -0.67 0.03 -0.51 -1.57 0.00 0.00 175.55 172.88 2dyy s LEU 79 N 1.38 3.44 0.01 -1.29 1.43 -0.31 -1.33 118.68 122.01 2dyy s LEU 79 Ca 0.02 -0.32 0.19 0.00 -1.03 0.00 0.00 54.13 52.99 2dyy s LEU 79 Cb -0.16 -2.09 -0.19 0.00 0.03 0.00 0.00 46.19 43.79 2dyy s LEU 79 CO -0.04 0.09 0.63 1.17 0.23 0.00 0.00 176.35 178.43 2dyy n LYS 80 N -0.15 0.64 -3.73 1.70 4.81 -0.69 -0.81 118.16 119.93 2dyy n LYS 80 Ca -0.09 0.08 -0.21 0.00 -0.87 0.00 0.00 58.31 57.21 2dyy n LYS 80 Cb 0.55 -1.69 -0.18 0.00 0.02 0.00 0.00 35.03 33.73 2dyy n LYS 80 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2dyy s ASP 81 N -5.40 1.35 0.50 3.14 3.68 -1.26 -4.75 116.67 113.92 2dyy s ASP 81 Ca -0.05 -0.01 0.20 0.00 2.13 0.00 0.00 52.55 54.82 2dyy s ASP 81 Cb 0.09 -0.30 1.28 0.00 -1.45 0.00 0.00 42.92 42.54 2dyy s ASP 81 CO 0.83 -0.22 2.07 0.00 0.13 0.00 0.00 175.17 177.99 2dyy h MET 82 N 8.34 0.00 -1.66 4.34 -0.00 -1.97 -2.74 114.93 121.24 2dyy h MET 82 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.53 2dyy h MET 82 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.72 2dyy h MET 82 CO 0.22 0.12 0.00 0.27 -0.00 0.00 0.00 176.91 177.52 2dyy n ASN 83 N -4.09 4.19 0.00 -0.10 0.23 -1.26 -2.54 115.26 111.68 2dyy n ASN 83 Ca -0.02 -2.15 0.00 0.00 -0.53 0.00 0.00 54.58 51.88 2dyy n ASN 83 Cb 0.20 -0.84 0.00 0.00 -2.08 0.00 0.00 39.78 37.06 2dyy n ASN 83 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2dyy n ASP 84 N 1.17 0.00 0.00 0.53 8.00 -1.03 -4.86 116.55 120.36 2dyy n ASP 84 Ca 0.00 -1.00 0.02 0.00 0.71 0.00 0.00 54.79 54.52 2dyy n ASP 84 Cb 0.47 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.69 2dyy n ASP 84 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2dyy n PHE 85 N 0.00 0.00 -0.09 1.24 3.01 -1.05 -3.07 117.46 117.50 2dyy n PHE 85 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 2dyy n PHE 85 Cb 0.28 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.70 2dyy n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dyy n ALA 86 N -0.62 1.33 0.24 4.37 0.00 -1.26 -3.70 120.51 120.87 2dyy n ALA 86 Ca 0.03 -0.78 0.08 0.00 0.00 0.00 0.00 53.44 52.78 2dyy n ALA 86 Cb 0.01 0.12 0.60 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.83 0.00 -0.20 0.00 2.10 -1.94 -1.81 116.57 113.88 2dyy h LYS 87 Ca -0.23 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.35 2dyy h LYS 87 Cb 1.10 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2dyy h LYS 87 CO -0.14 0.15 -0.16 1.98 -2.00 0.00 0.00 179.45 179.28 2dyy h MET 88 N 0.00 0.46 0.00 0.07 4.05 -1.77 -2.78 114.93 114.96 2dyy h MET 88 Ca -0.00 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2dyy h MET 88 Cb 0.31 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2dyy h MET 88 CO 0.02 0.79 0.00 -1.71 0.23 0.00 0.00 176.91 176.24 2dyy n ASN 89 N -4.49 0.30 0.00 1.39 5.15 -0.75 -1.75 115.26 115.12 2dyy n ASN 89 Ca -0.05 0.59 -0.17 0.00 -0.60 0.00 0.00 54.58 54.34 2dyy n ASN 89 Cb 0.38 -0.65 -0.12 0.00 -0.53 0.00 0.00 39.78 38.86 2dyy n ASN 89 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2dyy h GLU 90 N 0.00 0.31 0.14 1.20 4.57 -1.09 -3.09 114.58 116.62 2dyy h GLU 90 Ca 0.00 -0.37 -0.28 0.00 -1.18 0.00 0.00 59.36 57.52 2dyy h GLU 90 Cb 0.25 0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2dyy h GLU 90 CO 0.00 1.08 -1.25 0.28 -1.18 0.00 0.00 179.01 177.94 2dyy h VAL 91 N -0.29 1.44 -0.71 0.32 2.07 -1.51 -3.30 116.25 114.27 2dyy h VAL 91 Ca -0.08 -2.91 0.10 0.00 0.82 0.00 0.00 66.70 64.64 2dyy h VAL 91 Cb 1.29 2.90 -0.08 0.00 -1.52 0.00 0.00 31.29 33.89 2dyy h VAL 91 CO 0.10 0.86 0.34 0.22 0.02 0.00 0.00 177.57 179.11 2dyy h TYR 92 N 0.11 0.60 -0.29 1.57 5.03 -1.46 -0.83 116.97 121.70 2dyy h TYR 92 Ca -0.15 0.03 0.08 0.00 2.58 0.00 0.00 58.73 61.27 2dyy h TYR 92 Cb 1.96 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 40.07 2dyy h TYR 92 CO 0.08 0.19 0.22 0.00 -1.32 0.00 0.00 178.16 177.33 2dyy h ALA 93 N 1.45 2.21 0.00 1.82 0.00 -1.61 0.77 119.26 123.90 2dyy h ALA 93 Ca 0.36 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2dyy h ALA 93 Cb 0.42 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2dyy h ALA 93 CO -0.29 -0.37 -0.42 0.93 0.00 0.00 0.00 179.25 179.10 2dyy h GLU 94 N 0.00 0.00 0.01 0.00 5.08 -1.29 0.52 114.58 118.90 2dyy h GLU 94 Ca 0.14 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.12 2dyy h GLU 94 Cb 0.58 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 2dyy h GLU 94 CO -0.00 0.42 -2.37 0.66 -1.00 0.00 0.00 179.01 176.71 2dyy n TYR 95 N -3.94 0.17 -0.74 4.33 4.02 -0.24 -4.63 117.16 116.13 2dyy n TYR 95 Ca -0.02 0.04 0.07 0.00 -0.01 0.00 0.00 57.90 57.99 2dyy n TYR 95 Cb 0.46 -1.02 0.14 0.00 -0.02 0.00 0.00 39.34 38.89 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 -3.13 0.28 0.40 -0.72 3.72 0.10 -4.65 117.46 113.46 2dyy n PHE 96 Ca -0.40 -0.81 0.13 0.00 -0.05 0.00 0.00 57.45 56.32 2dyy n PHE 96 Cb 1.05 -0.16 0.51 0.00 -0.94 0.00 0.00 39.48 39.94 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 0.66 0.00 0.00 1.37 0.00 -1.04 -0.88 103.07 103.18 2dyy h GLY 97 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2dyy h GLY 97 CO 0.05 0.00 -2.13 -1.84 0.00 0.00 0.00 176.54 172.63 2dyy n GLU 98 N -2.40 1.18 -0.01 4.80 0.00 -1.26 -4.59 120.64 118.36 2dyy n GLU 98 Ca 0.02 0.02 -0.10 0.00 0.00 0.00 0.00 57.16 57.10 2dyy n GLU 98 Cb 0.27 -1.42 -0.14 0.00 0.00 0.00 0.00 31.44 30.15 2dyy n GLU 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2dyy h SER 99 N 0.00 0.04 -6.55 -1.84 4.64 -1.86 -3.50 113.55 104.49 2dyy h SER 99 Ca -0.45 -0.09 -0.42 0.00 -0.47 0.00 0.00 61.79 60.37 2dyy h SER 99 Cb 1.95 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 2dyy h SER 99 CO 0.00 1.08 -0.94 0.29 -0.87 0.00 0.00 176.83 176.40 2dyy n LYS 100 N -3.11 -1.51 -0.99 4.77 5.02 -0.34 -4.96 118.16 117.04 2dyy n LYS 100 Ca -0.17 0.87 -0.29 0.00 -2.02 0.00 0.00 58.31 56.70 2dyy n LYS 100 Cb 1.04 -2.79 0.21 0.00 -0.02 0.00 0.00 35.03 33.47 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 -4.66 -0.24 0.25 1.97 0.02 -1.26 -4.98 135.00 126.10 2dyy s PRO 101 Ca 0.00 0.49 -0.30 0.00 0.02 0.00 0.00 61.00 61.21 2dyy s PRO 101 Cb -0.00 -1.66 -0.09 0.00 0.02 0.00 0.00 34.50 32.77 2dyy s PRO 101 CO 0.88 -3.18 1.01 0.00 -0.33 0.00 0.00 177.00 175.38 2dyy s ALA 102 N -2.84 3.37 0.07 -1.55 0.00 0.86 -4.88 121.76 116.79 2dyy s ALA 102 Ca 0.67 0.73 0.04 0.00 0.00 0.00 0.00 51.96 53.40 2dyy s ALA 102 Cb -0.19 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2dyy s ALA 102 CO 0.59 0.05 -0.11 0.50 0.00 0.00 0.00 175.76 176.79 2dyy s ARG 103 N -1.25 0.75 -0.09 0.00 3.52 -1.26 -0.76 118.95 119.87 2dyy s ARG 103 Ca 0.43 -0.97 0.01 0.00 -0.13 0.00 0.00 55.73 55.07 2dyy s ARG 103 Cb -0.28 -0.57 0.02 0.00 -1.56 0.00 0.00 34.95 32.55 2dyy s ARG 103 CO 0.36 0.11 -0.11 0.08 -0.81 0.00 0.00 175.30 174.93 2dyy s VAL 104 N -1.72 1.14 -0.10 7.11 1.01 -0.81 -4.99 120.40 122.03 2dyy s VAL 104 Ca -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2dyy s VAL 104 Cb -0.07 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.25 2dyy s VAL 104 CO 0.01 0.37 -0.12 0.00 0.00 0.00 0.00 175.10 175.36 2dyy s ALA 105 N 1.05 1.48 0.04 5.51 0.00 -1.26 -0.79 121.76 127.79 2dyy s ALA 105 Ca -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 2dyy s ALA 105 Cb -0.15 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 2dyy s ALA 105 CO -0.01 -0.17 0.06 0.54 0.00 0.00 0.00 175.76 176.18 2dyy s VAL 106 N 1.19 0.14 -0.21 0.00 0.11 -0.83 -5.00 120.40 115.80 2dyy s VAL 106 Ca -0.04 -1.14 -0.09 0.00 -2.93 0.00 0.00 61.98 57.78 2dyy s VAL 106 Cb -0.14 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2dyy s VAL 106 CO -0.03 -0.63 0.11 -0.70 -3.33 0.00 0.00 175.10 170.52 2dyy s GLU 107 N -2.56 4.05 0.37 1.54 2.12 -1.26 -1.16 118.70 121.80 2dyy s GLU 107 Ca -0.05 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.07 2dyy s GLU 107 Cb -0.02 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 2dyy s GLU 107 CO -0.04 0.19 0.16 0.14 -0.54 0.00 0.00 175.26 175.16 2dyy s VAL 108 N 0.65 2.73 0.02 3.70 -7.23 0.01 -4.93 120.40 115.35 2dyy s VAL 108 Ca 0.06 -1.69 -0.28 0.00 -1.81 0.00 0.00 61.98 58.26 2dyy s VAL 108 Cb -0.12 -2.97 -0.16 0.00 0.56 0.00 0.00 36.38 33.69 2dyy s VAL 108 CO 0.01 -0.11 1.24 0.28 -0.31 0.00 0.00 175.10 176.20 2dyy h SER 109 N 1.49 -0.71 -5.03 4.85 0.02 -1.91 -3.42 113.55 108.85 2dyy h SER 109 Ca -0.43 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 2dyy h SER 109 Cb 1.25 0.18 -0.19 0.00 0.14 0.00 0.00 62.40 63.79 2dyy h SER 109 CO 0.65 -0.36 -0.35 -0.60 -1.14 0.00 0.00 176.83 175.03 2dyy s ARG 110 N -4.94 0.66 0.22 3.45 3.52 -1.26 -4.98 118.95 115.63 2dyy s ARG 110 Ca -0.15 -0.43 0.11 0.00 -0.13 0.00 0.00 55.73 55.13 2dyy s ARG 110 Cb 0.02 0.28 -0.05 0.00 -1.56 0.00 0.00 34.95 33.65 2dyy s ARG 110 CO 0.49 -0.19 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.11 2dyy s LEU 111 N -1.71 2.67 0.23 -0.88 1.43 -1.26 -5.06 118.68 114.10 2dyy s LEU 111 Ca -0.10 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 51.88 2dyy s LEU 111 Cb -0.04 -1.31 -0.15 0.00 0.03 0.00 0.00 46.19 44.72 2dyy s LEU 111 CO -0.00 0.08 0.88 -2.65 0.23 0.00 0.00 176.35 174.89 2dyy n PRO 112 N -0.16 0.83 -1.19 1.29 -0.02 -1.26 -0.91 135.00 133.57 2dyy n PRO 112 Ca -0.09 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 2dyy n PRO 112 Cb 0.57 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.02 -1.64 -1.45 -0.52 4.01 -1.26 -2.28 118.16 116.05 2dyy n LYS 113 Ca 0.14 0.74 -0.13 0.00 -0.51 0.00 0.00 58.31 58.54 2dyy n LYS 113 Cb 0.28 -4.96 -0.05 0.00 -0.51 0.00 0.00 35.03 29.79 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 -0.60 -4.59 -4.16 4.39 4.64 -0.09 -5.01 116.55 111.13 2dyy n ASP 114 Ca -0.10 0.31 -0.29 0.00 -1.38 0.00 0.00 54.79 53.34 2dyy n ASP 114 Cb 0.49 -3.31 0.26 0.00 -1.04 0.00 0.00 41.12 37.51 2dyy n ASP 114 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2dyy s VAL 115 N -2.51 1.75 -0.19 5.18 -7.23 -0.96 -4.89 120.40 111.53 2dyy s VAL 115 Ca 0.00 0.00 0.22 0.00 -1.81 0.00 0.00 61.98 60.39 2dyy s VAL 115 Cb 0.00 -2.11 -0.12 0.00 0.56 0.00 0.00 36.38 34.71 2dyy s VAL 115 CO 0.00 0.00 0.86 0.18 -0.31 0.00 0.00 175.10 175.83 2dyy n LEU 116 N -5.12 0.56 -3.70 1.32 4.77 -1.26 -4.52 117.00 109.05 2dyy n LEU 116 Ca 0.06 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2dyy n LEU 116 Cb 0.56 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2dyy n LEU 116 CO 0.53 -0.11 0.15 -0.51 -1.33 0.00 0.00 177.39 176.12 2dyy s ILE 117 N -3.40 0.01 -0.02 -0.08 2.07 -1.26 -1.71 121.20 116.81 2dyy s ILE 117 Ca -0.03 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.13 2dyy s ILE 117 Cb 0.11 -0.68 0.01 0.00 0.13 0.00 0.00 42.46 42.03 2dyy s ILE 117 CO 0.83 -0.05 -0.04 -0.70 -1.91 0.00 0.00 174.94 173.07 2dyy s GLU 118 N -0.22 0.50 -0.06 3.50 2.12 -0.44 -4.29 118.70 119.80 2dyy s GLU 118 Ca -0.04 -0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.21 2dyy s GLU 118 Cb -0.03 -0.54 0.02 0.00 0.26 0.00 0.00 34.13 33.84 2dyy s GLU 118 CO 0.02 -0.01 -0.09 0.42 -0.54 0.00 0.00 175.26 175.07 2dyy s ILE 119 N 0.46 0.91 0.13 -3.70 1.01 -0.92 -0.18 121.20 118.90 2dyy s ILE 119 Ca -0.05 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.35 2dyy s ILE 119 Cb -0.09 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2dyy s ILE 119 CO -0.00 0.31 -0.09 -1.83 0.00 0.00 0.00 174.94 173.32 2dyy s GLU 120 N 0.92 2.11 0.03 2.79 -1.05 -0.48 -1.19 118.70 121.84 2dyy s GLU 120 Ca -0.10 -1.09 -0.10 0.00 -0.15 0.00 0.00 54.97 53.52 2dyy s GLU 120 Cb -0.15 -2.27 0.01 0.00 -0.44 0.00 0.00 34.13 31.28 2dyy s GLU 120 CO 0.01 0.49 0.20 0.00 0.95 0.00 0.00 175.26 176.91 2dyy s ALA 121 N -1.36 -0.42 -0.05 -0.84 0.00 -1.24 -0.98 121.76 116.88 2dyy s ALA 121 Ca 0.22 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.07 2dyy s ALA 121 Cb -0.10 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2dyy s ALA 121 CO 0.14 -0.32 -0.21 0.42 0.00 0.00 0.00 175.76 175.80 2dyy s ILE 122 N -2.19 1.69 0.19 0.00 1.01 0.53 -1.62 121.20 120.82 2dyy s ILE 122 Ca -0.08 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.78 2dyy s ILE 122 Cb -0.03 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2dyy s ILE 122 CO -0.02 0.48 -0.16 0.00 0.00 0.00 0.00 174.94 175.24 2dyy s ALA 123 N -0.10 2.04 -0.01 9.38 0.00 -0.34 -0.91 121.76 131.82 2dyy s ALA 123 Ca -0.02 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.37 2dyy s ALA 123 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2dyy s ALA 123 CO 0.02 0.15 -0.04 -0.47 0.00 0.00 0.00 175.76 175.42 2dyy s TYR 124 N -2.51 0.45 -0.10 0.00 5.04 0.33 -0.75 117.35 119.81 2dyy s TYR 124 Ca 0.19 -0.08 0.02 0.00 -2.44 0.00 0.00 57.07 54.76 2dyy s TYR 124 Cb -0.03 -0.32 0.01 0.00 0.35 0.00 0.00 41.96 41.97 2dyy s TYR 124 CO 0.07 -0.03 -0.15 0.21 -1.34 0.00 0.00 175.55 174.31 2dyy s LYS 125 N 0.06 2.17 0.00 4.97 2.20 -0.50 -4.71 119.74 123.91 2dyy s LYS 125 Ca -0.00 -0.55 0.13 0.00 -0.36 0.00 0.00 55.97 55.19 2dyy s LYS 125 Cb -0.04 -1.83 0.77 0.00 -1.51 0.00 0.00 37.83 35.23 2dyy s LYS 125 CO -0.00 -0.04 1.20 0.39 -0.36 0.00 0.00 175.35 176.54