#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dix s SER 2 N 0.00 4.72 1.31 0.00 0.01 -1.26 -4.89 113.70 113.59 1dix s SER 2 Ca 0.00 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1dix s SER 2 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1dix s SER 2 CO 0.00 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.37 1dix n GLY 3 N -1.63 3.14 1.51 3.44 0.00 -1.26 -1.02 105.19 109.37 1dix n GLY 3 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1dix n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dix n SER 4 N 2.87 4.47 -4.68 1.61 3.41 -1.26 -4.88 113.62 115.15 1dix n SER 4 Ca 0.00 -2.44 -0.42 0.00 -0.26 0.00 0.00 58.87 55.75 1dix n SER 4 Cb 0.00 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 1dix n SER 4 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1dix s LYS 2 N -1.88 4.37 0.22 4.33 2.20 -0.19 -4.96 119.74 123.84 1dix s LYS 2 Ca 0.47 1.24 0.02 0.00 -0.36 0.00 0.00 55.97 57.34 1dix s LYS 2 Cb 0.31 -3.56 0.20 0.00 -1.51 0.00 0.00 37.83 33.27 1dix s LYS 2 CO 0.22 -0.33 1.54 -0.44 -0.36 0.00 0.00 175.35 175.97 1dix h ASP 3 N 7.19 0.38 -5.03 1.43 3.32 -1.90 -3.38 116.42 118.44 1dix h ASP 3 Ca -0.30 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.57 1dix h ASP 3 Cb 1.14 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.50 1dix h ASP 3 CO 0.86 0.89 0.17 0.72 -1.72 0.00 0.00 179.24 180.16 1dix s PHE 4 N -3.82 -0.19 -0.20 4.55 -0.12 -1.26 -4.90 117.98 112.05 1dix s PHE 4 Ca -0.05 -0.20 0.01 0.00 -0.05 0.00 0.00 56.93 56.64 1dix s PHE 4 Cb 0.12 0.60 -0.21 0.00 -0.63 0.00 0.00 43.02 42.89 1dix s PHE 4 CO 0.81 -1.11 0.04 -0.25 -0.05 0.00 0.00 175.22 174.67 1dix n ASP 5 N -0.42 1.78 -1.99 1.98 10.43 -0.35 -4.87 116.55 123.10 1dix n ASP 5 Ca -0.07 0.02 -0.03 0.00 2.57 0.00 0.00 54.79 57.28 1dix n ASP 5 Cb 0.61 -0.40 0.01 0.00 1.84 0.00 0.00 41.12 43.18 1dix n ASP 5 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 1dix n PHE 6 N -3.27 -1.33 -4.67 1.24 1.16 -0.05 -2.69 117.46 107.85 1dix n PHE 6 Ca -0.39 -0.77 -0.29 0.00 -1.87 0.00 0.00 57.45 54.13 1dix n PHE 6 Cb 1.03 0.38 -0.14 0.00 -1.61 0.00 0.00 39.48 39.14 1dix n PHE 6 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1dix s PHE 7 N -4.92 2.30 -0.06 2.97 0.40 -0.04 0.46 117.98 119.10 1dix s PHE 7 Ca 0.09 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 1dix s PHE 7 Cb -0.02 -1.32 -0.05 0.00 0.51 0.00 0.00 43.02 42.14 1dix s PHE 7 CO 0.04 0.22 0.33 0.71 0.70 0.00 0.00 175.22 177.22 1dix s TYR 8 N -0.92 3.65 -0.23 0.36 4.12 0.32 -1.82 117.35 122.83 1dix s TYR 8 Ca 0.13 0.82 -0.05 0.00 0.02 0.00 0.00 57.07 57.99 1dix s TYR 8 Cb -0.10 -2.21 -0.01 0.00 -1.52 0.00 0.00 41.96 38.12 1dix s TYR 8 CO 0.04 0.60 -0.01 0.12 0.02 0.00 0.00 175.55 176.32 1dix s PHE 9 N -0.81 3.00 -0.05 2.71 5.36 0.40 -0.38 117.98 128.22 1dix s PHE 9 Ca 0.21 -0.84 0.05 0.00 -0.96 0.00 0.00 56.93 55.38 1dix s PHE 9 Cb -0.15 -2.14 -0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1dix s PHE 9 CO 0.10 -0.51 -0.20 0.08 -1.46 0.00 0.00 175.22 173.22 1dix s VAL 10 N 1.51 1.65 0.15 3.12 1.01 0.34 -1.39 120.40 126.78 1dix s VAL 10 Ca 0.06 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1dix s VAL 10 Cb -0.15 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1dix s VAL 10 CO -0.02 0.47 -0.17 -1.10 0.00 0.00 0.00 175.10 174.28 1dix s GLN 11 N 0.02 1.20 0.01 2.72 -0.21 -0.31 -1.27 119.66 121.82 1dix s GLN 11 Ca -0.05 -1.35 0.04 0.00 0.02 0.00 0.00 55.36 54.02 1dix s GLN 11 Cb -0.13 -1.22 -0.01 0.00 1.00 0.00 0.00 33.01 32.64 1dix s GLN 11 CO 0.03 0.25 -0.12 -1.14 -2.12 0.00 0.00 175.29 172.19 1dix s GLN 12 N -2.70 0.92 -0.16 2.91 0.74 0.15 -0.87 119.66 120.65 1dix s GLN 12 Ca 0.13 -0.56 -0.17 0.00 0.05 0.00 0.00 55.36 54.82 1dix s GLN 12 Cb -0.06 -0.89 -0.04 0.00 1.10 0.00 0.00 33.01 33.12 1dix s GLN 12 CO 0.05 0.23 0.44 -0.46 -0.55 0.00 0.00 175.29 175.01 1dix s TRP 13 N -0.54 3.44 0.32 1.67 -0.11 0.12 -1.15 118.94 122.69 1dix s TRP 13 Ca 0.03 0.75 0.08 0.00 1.22 0.00 0.00 56.10 58.17 1dix s TRP 13 Cb -0.06 -2.54 0.53 0.00 -1.50 0.00 0.00 33.47 29.91 1dix s TRP 13 CO 0.00 0.07 1.75 -1.00 -4.62 0.00 0.00 176.95 173.15 1dix h PRO 14 N 7.05 0.21 0.00 5.86 0.13 -1.90 -0.90 132.00 142.45 1dix h PRO 14 Ca -0.38 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1dix h PRO 14 Cb 1.17 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1dix h PRO 14 CO 0.74 0.55 -0.12 0.78 -0.23 0.00 0.00 178.00 179.72 1dix h GLY 15 N 1.14 0.00 -0.41 1.56 0.00 -1.84 -0.36 103.07 103.16 1dix h GLY 15 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1dix h GLY 15 CO 0.06 0.00 -0.12 1.44 0.00 0.00 0.00 176.54 177.91 1dix n SER 16 N -3.79 1.52 0.04 0.19 7.64 -0.35 -3.29 113.62 115.58 1dix n SER 16 Ca -0.02 -1.34 -0.11 0.00 1.01 0.00 0.00 58.87 58.41 1dix n SER 16 Cb 0.22 0.08 -0.13 0.00 -1.01 0.00 0.00 64.21 63.37 1dix n SER 16 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1dix h TYR 17 N 2.20 0.16 -0.47 1.43 3.20 -1.15 -3.40 116.97 118.94 1dix h TYR 17 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1dix h TYR 17 Cb 0.57 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1dix h TYR 17 CO 0.00 1.13 0.00 0.00 -1.64 0.00 0.00 178.16 177.65 1dix n ASP 19 N 0.23 2.19 -4.45 0.00 5.75 -1.21 -4.82 116.55 114.24 1dix n ASP 19 Ca 0.25 -2.86 -0.18 0.00 -0.01 0.00 0.00 54.79 51.99 1dix n ASP 19 Cb 1.08 -0.35 0.08 0.00 -1.03 0.00 0.00 41.12 40.90 1dix n ASP 19 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1dix n THR 20 N -1.23 0.00 0.27 2.12 -2.24 -1.26 -0.77 114.28 111.18 1dix n THR 20 Ca 0.13 -1.58 0.15 0.00 -2.27 0.00 0.00 64.05 60.47 1dix n THR 20 Cb 0.58 -0.71 0.71 0.00 -2.10 0.00 0.00 70.33 68.81 1dix n THR 20 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1dix h LYS 21 N 0.00 0.00 -6.08 -0.78 1.57 -1.86 -3.42 116.57 106.00 1dix h LYS 21 Ca -0.26 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.99 1dix h LYS 21 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1dix h LYS 21 CO 0.33 0.00 -0.45 1.14 -0.57 0.00 0.00 179.45 179.90 1dix s GLN 22 N -3.63 3.45 0.21 3.15 -2.07 -1.26 -5.10 119.66 114.41 1dix s GLN 22 Ca -0.01 -0.60 -0.30 0.00 -1.82 0.00 0.00 55.36 52.63 1dix s GLN 22 Cb 0.09 -2.95 -0.08 0.00 -1.09 0.00 0.00 33.01 28.98 1dix s GLN 22 CO 0.34 0.50 1.03 0.45 -1.32 0.00 0.00 175.29 176.29 1dix s SER 23 N -3.33 7.41 0.31 12.60 0.15 -1.26 -4.84 113.70 124.74 1dix s SER 23 Ca 0.35 2.05 0.01 0.00 0.70 0.00 0.00 55.95 59.06 1dix s SER 23 Cb -0.11 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1dix s SER 23 CO 0.29 -0.07 0.50 0.00 1.20 0.00 0.00 173.24 175.16 1dix s TYR 26 N -1.01 3.36 1.07 0.00 2.02 -1.26 -4.08 117.35 117.44 1dix s TYR 26 Ca 0.11 1.32 -0.15 0.00 -0.37 0.00 0.00 57.07 57.98 1dix s TYR 26 Cb -0.10 -2.62 0.22 0.00 -0.40 0.00 0.00 41.96 39.06 1dix s TYR 26 CO 0.04 0.02 1.13 -1.25 -1.57 0.00 0.00 175.55 173.92 1dix s PRO 27 N -3.09 -0.15 0.00 -1.71 0.04 -1.25 -4.31 135.00 124.53 1dix s PRO 27 Ca 0.56 0.15 0.26 0.00 0.04 0.00 0.00 61.00 62.01 1dix s PRO 27 Cb -0.10 -1.70 1.14 0.00 0.04 0.00 0.00 34.50 33.88 1dix s PRO 27 CO 0.17 -3.04 1.84 0.25 0.04 0.00 0.00 177.00 176.26 1dix n THR 28 N -4.33 0.20 1.20 1.26 -2.24 -0.84 -1.98 114.28 107.56 1dix n THR 28 Ca 0.09 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 1dix n THR 28 Cb 0.59 -0.60 0.33 0.00 -2.10 0.00 0.00 70.33 68.55 1dix n THR 28 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dix n THR 29 N -1.48 0.00 0.00 4.28 -2.24 -1.26 -5.07 114.28 108.51 1dix n THR 29 Ca 0.07 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1dix n THR 29 Cb 0.30 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1dix n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dix n GLY 30 N 1.36 2.92 3.64 3.38 0.00 -0.84 -5.01 105.19 110.64 1dix n GLY 30 Ca 0.11 -1.96 -0.47 0.00 0.00 0.00 0.00 46.02 43.70 1dix n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dix n LYS 31 N -1.40 1.76 -1.39 1.61 4.81 -1.26 -4.06 118.16 118.23 1dix n LYS 31 Ca 0.00 0.63 -0.32 0.00 -0.87 0.00 0.00 58.31 57.75 1dix n LYS 31 Cb 0.00 -2.30 0.08 0.00 0.02 0.00 0.00 35.03 32.83 1dix n LYS 31 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1dix s PRO 32 N 0.30 2.38 0.71 1.64 0.02 -1.26 -4.99 135.00 133.79 1dix s PRO 32 Ca 0.77 1.24 -0.16 0.00 0.02 0.00 0.00 61.00 62.87 1dix s PRO 32 Cb -0.76 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 31.85 1dix s PRO 32 CO 0.45 -1.56 0.89 0.00 -0.33 0.00 0.00 177.00 176.45 1dix n ALA 33 N -3.23 -0.44 -2.83 -1.55 0.00 -1.26 -4.85 120.51 106.36 1dix n ALA 33 Ca 0.10 -0.18 -0.44 0.00 0.00 0.00 0.00 53.44 52.92 1dix n ALA 33 Cb 0.53 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.90 1dix n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dix s ALA 34 N -1.81 3.66 0.06 0.00 0.00 -1.26 -4.87 121.76 117.54 1dix s ALA 34 Ca 0.72 -3.10 -0.19 0.00 0.00 0.00 0.00 51.96 49.39 1dix s ALA 34 Cb -0.35 -4.27 0.04 0.00 0.00 0.00 0.00 23.12 18.54 1dix s ALA 34 CO 0.51 -2.99 0.45 0.34 0.00 0.00 0.00 175.76 174.07 1dix s ASP 35 N 3.43 -0.33 0.54 0.00 2.15 -1.26 -5.10 116.67 116.10 1dix s ASP 35 Ca 0.44 -0.00 -0.22 0.00 0.43 0.00 0.00 52.55 53.20 1dix s ASP 35 Cb -0.01 0.46 -0.05 0.00 -0.30 0.00 0.00 42.92 43.02 1dix s ASP 35 CO 0.00 -0.73 1.32 -0.36 -0.17 0.00 0.00 175.17 175.24 1dix s PHE 36 N -2.76 2.36 0.27 -5.34 0.40 -1.26 -4.38 117.98 107.27 1dix s PHE 36 Ca -0.04 1.40 0.12 0.00 -0.60 0.00 0.00 56.93 57.82 1dix s PHE 36 Cb -0.00 -3.73 -0.05 0.00 0.51 0.00 0.00 43.02 39.75 1dix s PHE 36 CO -0.04 -2.68 -0.20 0.20 0.70 0.00 0.00 175.22 173.19 1dix s GLY 37 N -1.05 1.86 0.20 4.36 0.00 -0.30 -4.89 107.32 107.50 1dix s GLY 37 Ca 0.71 -1.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.26 1dix s GLY 37 CO 0.45 -1.95 1.59 -0.42 0.00 0.00 0.00 173.10 172.77 1dix s ILE 38 N -2.49 2.45 -0.20 0.90 1.01 -0.56 0.30 121.20 122.60 1dix s ILE 38 Ca 0.29 0.33 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 1dix s ILE 38 Cb -0.05 -3.21 -0.12 0.00 0.01 0.00 0.00 42.46 39.09 1dix s ILE 38 CO 0.14 0.03 -0.07 1.57 0.00 0.00 0.00 174.94 176.61 1dix n HIS 39 N 3.60 0.67 -3.87 3.97 -0.00 -0.39 -4.65 115.22 114.55 1dix n HIS 39 Ca 0.13 0.29 0.03 0.00 -0.00 0.00 0.00 57.72 58.16 1dix n HIS 39 Cb 0.38 -0.93 0.01 0.00 -0.00 0.00 0.00 29.99 29.45 1dix n HIS 39 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1dix s GLY 40 N -4.84 -0.23 -0.28 1.57 0.00 -1.09 -5.00 107.32 97.44 1dix s GLY 40 Ca -0.27 0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.74 1dix s GLY 40 CO 0.46 4.04 0.02 -2.27 0.00 0.00 0.00 173.10 175.35 1dix s LEU 41 N -3.57 3.03 -0.24 0.66 2.96 -1.26 -0.50 118.68 119.76 1dix s LEU 41 Ca 0.25 -1.57 -0.03 0.00 -0.22 0.00 0.00 54.13 52.56 1dix s LEU 41 Cb 0.02 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.53 1dix s LEU 41 CO -0.02 -0.33 -0.05 0.26 -1.32 0.00 0.00 176.35 174.89 1dix s TRP 42 N 1.34 3.02 0.40 5.38 0.51 0.49 -4.69 118.94 125.39 1dix s TRP 42 Ca 0.03 -1.30 -0.27 0.00 -2.12 0.00 0.00 56.10 52.45 1dix s TRP 42 Cb -0.18 -2.09 -0.10 0.00 -0.81 0.00 0.00 33.47 30.29 1dix s TRP 42 CO -0.12 -0.66 1.49 -2.30 -0.51 0.00 0.00 176.95 174.84 1dix n PRO 43 N 4.73 2.60 -3.64 4.98 -0.02 -1.26 -0.52 135.00 141.87 1dix n PRO 43 Ca -0.17 0.91 -0.10 0.00 -2.02 0.00 0.00 63.50 62.12 1dix n PRO 43 Cb 0.49 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 1dix n PRO 43 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1dix s ASN 44 N -0.21 -0.25 0.46 2.55 2.47 0.17 -4.23 114.94 115.90 1dix s ASN 44 Ca 0.55 -0.33 0.05 0.00 0.42 0.00 0.00 52.86 53.56 1dix s ASN 44 Cb -0.46 0.49 -0.04 0.00 -1.45 0.00 0.00 41.25 39.79 1dix s ASN 44 CO 0.62 -0.88 0.12 0.20 -3.72 0.00 0.00 177.10 173.44 1dix s ASN 45 N -2.81 4.24 0.00 -4.21 0.02 0.15 -0.87 114.94 111.45 1dix s ASN 45 Ca 0.04 -1.33 0.27 0.00 -1.02 0.00 0.00 52.86 50.81 1dix s ASN 45 Cb 0.01 -0.06 1.15 0.00 0.02 0.00 0.00 41.25 42.37 1dix s ASN 45 CO -0.11 -0.68 1.79 -0.46 0.02 0.00 0.00 177.10 177.66 1dix n ASN 46 N -1.25 1.16 -1.17 -1.22 0.23 -1.26 -2.27 115.26 109.47 1dix n ASN 46 Ca -0.07 -1.44 0.10 0.00 -0.53 0.00 0.00 54.58 52.63 1dix n ASN 46 Cb 0.66 -0.02 0.28 0.00 -2.08 0.00 0.00 39.78 38.62 1dix n ASN 46 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1dix n ASP 47 N -0.08 3.73 0.00 0.53 3.85 -1.26 -4.81 116.55 118.52 1dix n ASP 47 Ca 0.19 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 1dix n ASP 47 Cb 0.28 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 1dix n ASP 47 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1dix n GLY 48 N 1.28 0.76 4.00 6.12 0.00 -0.96 -5.06 105.19 111.34 1dix n GLY 48 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 1dix n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dix s THR 49 N -2.77 3.41 0.03 2.61 -4.23 -1.26 -4.94 115.64 108.48 1dix s THR 49 Ca 0.00 -0.97 -0.16 0.00 -1.18 0.00 0.00 61.69 59.37 1dix s THR 49 Cb 0.00 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.71 1dix s THR 49 CO 0.00 -0.07 0.37 -0.72 -0.54 0.00 0.00 174.62 173.66 1dix s TYR 50 N -2.31 -0.21 0.52 3.99 -0.85 -1.26 -0.68 117.35 116.55 1dix s TYR 50 Ca 0.51 0.17 -0.14 0.00 -0.52 0.00 0.00 57.07 57.09 1dix s TYR 50 Cb -0.10 0.16 -0.07 0.00 0.38 0.00 0.00 41.96 42.34 1dix s TYR 50 CO 0.33 -0.52 0.96 -1.25 -1.52 0.00 0.00 175.55 173.54 1dix s PRO 51 N -2.30 3.85 -0.19 -3.49 0.04 -1.26 -4.99 135.00 126.65 1dix s PRO 51 Ca -0.07 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 61.53 1dix s PRO 51 Cb -0.01 -2.17 0.09 0.00 0.04 0.00 0.00 34.50 32.45 1dix s PRO 51 CO -0.01 -0.29 0.84 -1.54 0.04 0.00 0.00 177.00 176.03 1dix s SER 52 N -3.32 -0.57 -1.21 6.66 1.04 -1.26 -4.86 113.70 110.18 1dix s SER 52 Ca 0.57 0.90 -0.15 0.00 0.48 0.00 0.00 55.95 57.74 1dix s SER 52 Cb -0.10 0.84 -0.00 0.00 0.10 0.00 0.00 66.02 66.85 1dix s SER 52 CO 0.36 -0.34 0.70 0.59 0.98 0.00 0.00 173.24 175.53 1dix n ASN 53 N 1.70 -3.87 0.03 7.02 5.03 0.54 -4.86 115.26 120.84 1dix n ASN 53 Ca -0.14 -1.01 0.12 0.00 0.87 0.00 0.00 54.58 54.41 1dix n ASN 53 Cb 0.56 -3.28 0.16 0.00 -1.02 0.00 0.00 39.78 36.20 1dix n ASN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1dix n ASP 55 N -1.84 -2.34 0.09 0.00 -0.08 -1.26 -4.91 116.55 106.21 1dix n ASP 55 Ca 0.04 -2.72 0.10 0.00 -1.51 0.00 0.00 54.79 50.70 1dix n ASP 55 Cb 0.40 0.88 0.41 0.00 2.34 0.00 0.00 41.12 45.16 1dix n ASP 55 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1dix n PRO 56 N 2.89 0.12 -0.60 -0.67 -0.04 -1.26 -1.13 135.00 134.30 1dix n PRO 56 Ca 0.22 0.40 -0.04 0.00 -0.04 0.00 0.00 63.50 64.04 1dix n PRO 56 Cb 0.53 -1.74 0.18 0.00 -0.04 0.00 0.00 33.50 32.43 1dix n PRO 56 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1dix n ASN 57 N -1.97 3.61 -3.14 3.54 3.02 -1.26 -4.24 115.26 114.82 1dix n ASN 57 Ca 0.02 -2.71 -0.22 0.00 -0.03 0.00 0.00 54.58 51.64 1dix n ASN 57 Cb 0.18 -0.65 -0.05 0.00 -0.61 0.00 0.00 39.78 38.65 1dix n ASN 57 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1dix n SER 58 N 0.01 -0.16 -4.71 6.41 2.88 -0.28 -5.13 113.62 112.64 1dix n SER 58 Ca 0.24 -2.77 -0.33 0.00 -1.33 0.00 0.00 58.87 54.68 1dix n SER 58 Cb 0.96 -0.36 0.12 0.00 -0.75 0.00 0.00 64.21 64.19 1dix n SER 58 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1dix s PRO 59 N -1.01 1.71 0.34 -1.46 0.04 -1.26 -4.90 135.00 128.47 1dix s PRO 59 Ca 0.35 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 1dix s PRO 59 Cb 0.18 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.81 1dix s PRO 59 CO -0.12 -2.13 1.49 0.98 0.04 0.00 0.00 177.00 177.25 1dix n TYR 60 N -3.39 2.82 -3.60 0.56 9.36 -1.26 -4.97 117.16 116.68 1dix n TYR 60 Ca 0.12 0.41 -0.28 0.00 3.32 0.00 0.00 57.90 61.48 1dix n TYR 60 Cb 0.51 -2.53 -0.16 0.00 -0.63 0.00 0.00 39.34 36.53 1dix n TYR 60 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1dix s ASP 61 N 0.03 3.06 0.57 2.98 3.68 -1.26 -5.02 116.67 120.71 1dix s ASP 61 Ca 0.57 -1.01 0.36 0.00 2.13 0.00 0.00 52.55 54.59 1dix s ASP 61 Cb -0.50 -0.38 1.56 0.00 -1.45 0.00 0.00 42.92 42.15 1dix s ASP 61 CO 0.59 -0.39 2.05 -0.61 0.13 0.00 0.00 175.17 176.94 1dix h GLN 62 N 8.37 0.00 0.00 4.34 4.15 -1.98 0.36 115.11 130.35 1dix h GLN 62 Ca -0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1dix h GLN 62 Cb 1.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1dix h GLN 62 CO 0.38 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.94 1dix h SER 63 N 0.00 0.00 1.39 -0.69 4.64 -2.00 -1.67 113.55 115.22 1dix h SER 63 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dix h SER 63 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1dix h SER 63 CO 0.00 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.52 1dix h GLN 64 N 0.00 0.00 -0.44 4.77 4.20 -1.36 -3.27 115.11 119.01 1dix h GLN 64 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1dix h GLN 64 Cb 0.47 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.97 1dix h GLN 64 CO 0.00 0.00 -0.74 0.44 -0.67 0.00 0.00 178.83 177.86 1dix n ILE 65 N -2.77 2.22 -0.03 2.54 -5.35 -0.65 -4.53 119.36 110.79 1dix n ILE 65 Ca 0.03 -3.66 -0.03 0.00 -0.27 0.00 0.00 62.75 58.83 1dix n ILE 65 Cb 0.39 -0.57 0.22 0.00 -1.74 0.00 0.00 39.64 37.95 1dix n ILE 65 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1dix h SER 66 N 1.76 0.58 0.63 7.28 4.64 -1.57 -0.16 113.55 126.71 1dix h SER 66 Ca 0.18 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1dix h SER 66 Cb 1.36 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1dix h SER 66 CO 0.43 0.70 0.00 -2.24 -0.87 0.00 0.00 176.83 174.86 1dix h ASP 67 N 0.56 0.00 0.27 4.97 2.03 -1.89 -3.13 116.42 119.22 1dix h ASP 67 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1dix h ASP 67 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1dix h ASP 67 CO 0.02 0.00 -0.93 0.18 -1.03 0.00 0.00 179.24 177.49 1dix n LEU 68 N -3.08 0.70 -0.37 0.15 4.77 -0.09 -4.64 117.00 114.44 1dix n LEU 68 Ca -0.01 -0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 55.77 1dix n LEU 68 Cb 0.21 -0.10 0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1dix n LEU 68 CO 0.24 0.14 1.28 0.40 -1.33 0.00 0.00 177.39 178.13 1dix h ILE 69 N 0.00 1.21 -0.08 -0.08 1.08 -1.46 -0.80 117.51 117.38 1dix h ILE 69 Ca 0.00 -0.44 -0.09 0.00 -0.39 0.00 0.00 64.86 63.94 1dix h ILE 69 Cb 0.60 -0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 1dix h ILE 69 CO 0.00 0.24 -0.36 0.77 -0.69 0.00 0.00 178.15 178.11 1dix h SER 70 N 1.29 0.16 -0.45 1.72 4.64 -1.83 0.31 113.55 119.39 1dix h SER 70 Ca 0.38 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.50 1dix h SER 70 Cb -0.07 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1dix h SER 70 CO -0.10 0.51 -0.27 -1.28 -0.87 0.00 0.00 176.83 174.82 1dix h SER 71 N 0.13 1.02 -0.91 4.97 0.87 -1.74 -2.60 113.55 115.30 1dix h SER 71 Ca 0.02 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 1dix h SER 71 Cb 0.70 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1dix h SER 71 CO 0.05 1.22 0.52 0.24 -0.53 0.00 0.00 176.83 178.33 1dix h MET 72 N 0.83 1.25 -0.71 2.24 2.07 -0.59 0.23 114.93 120.25 1dix h MET 72 Ca 0.09 -0.13 0.01 0.00 -2.07 0.00 0.00 59.70 57.60 1dix h MET 72 Cb 0.86 -0.25 -0.04 0.00 -1.87 0.00 0.00 31.60 30.30 1dix h MET 72 CO 0.08 0.90 0.47 1.96 1.07 0.00 0.00 176.91 181.39 1dix h GLN 73 N 1.26 0.94 0.01 1.72 4.20 -0.35 -1.27 115.11 121.62 1dix h GLN 73 Ca 0.32 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.85 1dix h GLN 73 Cb -0.01 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.57 1dix h GLN 73 CO -0.06 0.62 -0.50 1.96 -0.67 0.00 0.00 178.83 180.19 1dix h GLN 74 N 0.97 0.32 -0.01 1.46 4.20 -1.07 -3.38 115.11 117.60 1dix h GLN 74 Ca 0.26 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1dix h GLN 74 Cb -0.11 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1dix h GLN 74 CO -0.06 1.06 -0.67 0.09 -0.67 0.00 0.00 178.83 178.58 1dix n ASN 75 N -4.31 1.37 -2.98 1.46 4.13 0.79 -4.53 115.26 111.19 1dix n ASN 75 Ca -0.10 -1.18 -0.18 0.00 1.68 0.00 0.00 54.58 54.79 1dix n ASN 75 Cb 0.63 0.75 -0.02 0.00 -1.54 0.00 0.00 39.78 39.61 1dix n ASN 75 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 1dix n TRP 76 N -0.78 1.22 -2.92 3.10 -0.00 -0.48 -1.50 117.44 116.08 1dix n TRP 76 Ca 0.06 -3.56 -0.32 0.00 -0.00 0.00 0.00 57.50 53.68 1dix n TRP 76 Cb 0.35 -0.40 -0.06 0.00 -0.00 0.00 0.00 31.31 31.21 1dix n TRP 76 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1dix s PRO 77 N -2.83 4.07 0.04 5.87 0.04 -1.26 -4.80 135.00 136.13 1dix s PRO 77 Ca 0.39 0.86 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 1dix s PRO 77 Cb 0.37 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 1dix s PRO 77 CO -0.07 0.02 0.55 -0.08 0.04 0.00 0.00 177.00 177.47 1dix s THR 78 N -2.16 4.82 -0.11 1.26 -1.32 -1.26 -4.96 115.64 111.92 1dix s THR 78 Ca 0.57 1.17 0.07 0.00 -1.21 0.00 0.00 61.69 62.29 1dix s THR 78 Cb -0.10 -3.88 0.12 0.00 -1.51 0.00 0.00 72.50 67.13 1dix s THR 78 CO 0.18 0.52 1.08 0.18 -2.21 0.00 0.00 174.62 174.37 1dix n LEU 79 N 2.02 2.23 -4.85 9.08 7.99 -1.26 -3.95 117.00 128.26 1dix n LEU 79 Ca -0.10 -2.33 -0.32 0.00 -0.01 0.00 0.00 56.01 53.25 1dix n LEU 79 Cb 0.51 -0.15 -0.03 0.00 -0.11 0.00 0.00 43.42 43.64 1dix n LEU 79 CO 0.41 0.58 0.65 0.00 -1.51 0.00 0.00 177.39 177.52 1dix s ALA 80 N -1.58 3.12 -0.04 -1.18 0.00 -1.26 -1.19 121.76 119.63 1dix s ALA 80 Ca 0.12 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 1dix s ALA 80 Cb 0.10 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1dix s ALA 80 CO 0.02 -0.28 0.28 0.00 0.00 0.00 0.00 175.76 175.77 1dix s PRO 82 N -1.22 3.68 0.27 0.00 0.04 -1.26 -5.04 135.00 131.47 1dix s PRO 82 Ca 0.21 0.51 -0.28 0.00 0.04 0.00 0.00 61.00 61.49 1dix s PRO 82 Cb -0.14 -2.28 -0.15 0.00 0.04 0.00 0.00 34.50 31.97 1dix s PRO 82 CO 0.10 -0.24 0.84 0.43 0.04 0.00 0.00 177.00 178.17 1dix n SER 83 N -1.98 0.45 -3.39 6.66 7.64 -1.26 -4.94 113.62 116.80 1dix n SER 83 Ca 0.03 1.15 -0.09 0.00 1.01 0.00 0.00 58.87 60.97 1dix n SER 83 Cb 0.54 -1.18 -0.01 0.00 -1.01 0.00 0.00 64.21 62.55 1dix n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1dix s GLY 84 N -0.71 0.40 0.43 0.23 0.00 -1.26 -4.93 107.32 101.47 1dix s GLY 84 Ca 0.60 -0.73 0.24 0.00 0.00 0.00 0.00 44.72 44.83 1dix s GLY 84 CO 0.59 -0.37 1.66 1.48 0.00 0.00 0.00 173.10 176.45 1dix h SER 85 N 2.05 0.00 0.00 1.64 4.64 -1.95 -2.22 113.55 117.70 1dix h SER 85 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1dix h SER 85 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1dix h SER 85 CO 0.34 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 1dix n GLY 86 N 1.02 0.88 0.35 -0.77 0.00 -1.26 -4.83 105.19 100.58 1dix n GLY 86 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1dix n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dix h SER 87 N 1.57 0.39 -0.55 1.61 0.02 -1.98 -0.75 113.55 113.86 1dix h SER 87 Ca 0.00 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1dix h SER 87 Cb 0.00 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 1dix h SER 87 CO 0.00 0.24 0.29 0.74 -1.14 0.00 0.00 176.83 176.97 1dix h THR 88 N 0.44 0.97 0.10 -2.27 2.02 -1.99 0.93 112.91 113.12 1dix h THR 88 Ca 0.26 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1dix h THR 88 Cb 0.46 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1dix h THR 88 CO -0.07 0.10 -0.05 0.15 0.37 0.00 0.00 175.52 176.02 1dix h PHE 89 N 0.56 -0.13 -0.68 3.16 3.57 -1.58 -2.37 116.94 119.46 1dix h PHE 89 Ca 0.24 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1dix h PHE 89 Cb 0.13 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1dix h PHE 89 CO -0.09 0.24 0.38 -1.49 -2.23 0.00 0.00 178.31 175.11 1dix h TRP 90 N -0.52 0.94 -0.40 0.41 6.55 -1.44 0.41 115.95 121.90 1dix h TRP 90 Ca -0.01 -0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.83 1dix h TRP 90 Cb 0.42 -0.30 -0.03 0.00 -0.86 0.00 0.00 29.16 28.39 1dix h TRP 90 CO 0.05 0.67 0.21 1.03 -1.05 0.00 0.00 178.44 179.35 1dix h SER 91 N 0.94 0.33 -0.50 -3.49 0.87 -0.72 -0.54 113.55 110.43 1dix h SER 91 Ca 0.24 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1dix h SER 91 Cb 0.04 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1dix h SER 91 CO -0.04 0.24 0.19 -0.74 -0.53 0.00 0.00 176.83 175.95 1dix h HIS 92 N 0.43 0.77 -0.30 2.24 -0.00 -0.90 0.46 115.15 117.85 1dix h HIS 92 Ca 0.16 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1dix h HIS 92 Cb 0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1dix h HIS 92 CO -0.09 0.65 -0.01 0.93 -0.00 0.00 0.00 177.93 179.41 1dix h GLU 93 N 0.67 0.55 0.07 5.26 4.39 0.38 -1.46 114.58 124.43 1dix h GLU 93 Ca 0.17 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1dix h GLU 93 Cb 0.21 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1dix h GLU 93 CO -0.01 0.70 -0.03 2.35 -1.16 0.00 0.00 179.01 180.85 1dix h TRP 94 N 0.34 -0.09 -0.84 4.33 2.91 -1.00 -0.01 115.95 121.59 1dix h TRP 94 Ca 0.08 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 1dix h TRP 94 Cb 0.46 0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.10 1dix h TRP 94 CO 0.04 -0.06 0.50 0.93 -1.03 0.00 0.00 178.44 178.83 1dix h GLU 95 N -0.09 1.15 0.20 2.65 5.08 -0.76 0.16 114.58 122.96 1dix h GLU 95 Ca -0.01 -0.11 -0.34 0.00 -1.00 0.00 0.00 59.36 57.91 1dix h GLU 95 Cb 0.08 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 29.10 1dix h GLU 95 CO 0.01 0.81 -1.61 -0.22 -1.00 0.00 0.00 179.01 177.01 1dix h LYS 96 N 1.16 0.42 0.00 2.33 3.64 -1.28 -3.22 116.57 119.62 1dix h LYS 96 Ca 0.30 -0.72 -0.02 0.00 -1.27 0.00 0.00 60.65 58.95 1dix h LYS 96 Cb -0.04 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1dix h LYS 96 CO -0.06 1.33 -1.06 0.72 -2.27 0.00 0.00 179.45 178.11 1dix n HIS 97 N -3.61 0.00 -0.22 1.91 8.25 -0.10 -0.34 115.22 121.11 1dix n HIS 97 Ca -0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.24 1dix n HIS 97 Cb 1.08 -0.04 0.17 0.00 1.12 0.00 0.00 29.99 32.33 1dix n HIS 97 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1dix h GLY 98 N -0.03 1.08 1.98 -1.41 0.00 -0.59 -1.84 103.07 102.26 1dix h GLY 98 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1dix h GLY 98 CO -0.02 0.50 0.01 -0.91 0.00 0.00 0.00 176.54 176.12 1dix h THR 99 N 1.01 0.98 0.00 4.70 1.35 -0.93 -0.19 112.91 119.82 1dix h THR 99 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1dix h THR 99 Cb 0.10 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1dix h THR 99 CO -0.03 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.24 1dix n ALA 101 N -1.07 4.74 0.62 0.00 0.00 -0.08 -4.70 120.51 120.02 1dix n ALA 101 Ca 0.21 -3.42 0.12 0.00 0.00 0.00 0.00 53.44 50.36 1dix n ALA 101 Cb 0.14 -0.69 0.27 0.00 0.00 0.00 0.00 19.45 19.17 1dix n ALA 101 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1dix n GLU 102 N -0.97 0.26 -0.02 0.00 1.02 -1.22 -0.69 120.64 119.02 1dix n GLU 102 Ca 0.39 0.12 -0.06 0.00 -0.02 0.00 0.00 57.16 57.59 1dix n GLU 102 Cb 0.93 -1.71 0.13 0.00 -0.02 0.00 0.00 31.44 30.77 1dix n GLU 102 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1dix h SER 103 N 0.00 0.60 0.00 1.62 4.64 -1.89 -3.35 113.55 115.18 1dix h SER 103 Ca 0.00 -0.24 -0.40 0.00 -0.47 0.00 0.00 61.79 60.68 1dix h SER 103 Cb 0.72 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.59 1dix h SER 103 CO 0.00 0.89 -2.33 0.52 -0.87 0.00 0.00 176.83 175.04 1dix n VAL 104 N -4.07 1.35 -3.49 0.95 0.31 -1.19 -4.85 118.33 107.34 1dix n VAL 104 Ca -0.01 -0.33 -0.42 0.00 -0.01 0.00 0.00 64.34 63.57 1dix n VAL 104 Cb 0.47 -1.85 -0.09 0.00 -0.91 0.00 0.00 33.84 31.47 1dix n VAL 104 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1dix s LEU 105 N -7.35 5.46 0.15 7.52 1.43 0.13 -4.97 118.68 121.05 1dix s LEU 105 Ca -0.34 -1.50 -0.02 0.00 -1.03 0.00 0.00 54.13 51.24 1dix s LEU 105 Cb 0.13 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1dix s LEU 105 CO 0.43 -0.62 1.35 0.71 0.23 0.00 0.00 176.35 178.46 1dix h THR 106 N 5.95 1.43 -3.48 5.49 1.35 -1.78 -3.32 112.91 118.54 1dix h THR 106 Ca -0.25 -2.44 -0.35 0.00 -0.55 0.00 0.00 66.41 62.81 1dix h THR 106 Cb 1.09 2.37 -0.14 0.00 -1.73 0.00 0.00 68.15 69.74 1dix h THR 106 CO 0.84 0.72 -0.65 0.54 -0.25 0.00 0.00 175.52 176.72 1dix s ASN 107 N -7.01 1.60 0.23 5.36 2.20 -1.26 -4.88 114.94 111.18 1dix s ASN 107 Ca -0.05 -1.23 -0.11 0.00 -0.94 0.00 0.00 52.86 50.53 1dix s ASN 107 Cb 0.10 0.05 0.32 0.00 -2.00 0.00 0.00 41.25 39.72 1dix s ASN 107 CO 0.85 -0.56 1.61 1.56 -2.94 0.00 0.00 177.10 177.63 1dix h GLN 108 N 2.51 0.02 -0.25 3.55 4.20 -1.96 0.48 115.11 123.66 1dix h GLN 108 Ca -0.38 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.36 1dix h GLN 108 Cb 1.22 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 1dix h GLN 108 CO 0.64 0.01 0.08 1.25 -0.67 0.00 0.00 178.83 180.14 1dix h HIS 109 N 0.02 0.15 -0.68 2.96 2.76 -1.97 -1.09 115.15 117.30 1dix h HIS 109 Ca 0.36 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1dix h HIS 109 Cb 0.57 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 1dix h HIS 109 CO -0.55 0.07 0.38 0.00 -1.30 0.00 0.00 177.93 176.53 1dix h ALA 110 N 1.16 1.40 0.66 5.26 0.00 -1.31 -1.05 119.26 125.37 1dix h ALA 110 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1dix h ALA 110 Cb 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1dix h ALA 110 CO -0.11 0.50 -0.32 -0.92 0.00 0.00 0.00 179.25 178.40 1dix h TYR 111 N 0.94 -0.82 -0.48 0.00 3.20 -0.79 -1.00 116.97 118.01 1dix h TYR 111 Ca 0.24 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1dix h TYR 111 Cb 0.00 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1dix h TYR 111 CO 0.01 -0.49 0.22 0.74 -1.64 0.00 0.00 178.16 177.00 1dix h PHE 112 N -0.97 0.70 -0.53 -3.82 -1.00 -1.22 -2.55 116.94 107.56 1dix h PHE 112 Ca -0.09 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.61 1dix h PHE 112 Cb 0.70 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 1dix h PHE 112 CO -0.01 0.56 0.16 -0.22 -1.61 0.00 0.00 178.31 177.19 1dix h LYS 113 N 0.63 0.78 -0.66 1.51 3.64 -1.15 -2.17 116.57 119.16 1dix h LYS 113 Ca 0.16 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1dix h LYS 113 Cb 0.13 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1dix h LYS 113 CO -0.02 0.69 0.34 -0.22 -2.27 0.00 0.00 179.45 177.97 1dix h LYS 114 N 0.77 0.59 -0.25 1.90 1.63 -0.95 0.15 116.57 120.40 1dix h LYS 114 Ca 0.17 -0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.80 1dix h LYS 114 Cb 0.24 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1dix h LYS 114 CO -0.01 0.39 -0.41 0.00 -3.45 0.00 0.00 179.45 175.97 1dix h ALA 115 N 1.38 0.81 -0.33 5.00 0.00 -1.11 -1.54 119.26 123.47 1dix h ALA 115 Ca 0.31 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1dix h ALA 115 Cb 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1dix h ALA 115 CO -0.23 0.65 -0.48 -0.07 0.00 0.00 0.00 179.25 179.13 1dix h LEU 116 N 0.49 0.97 -1.05 0.00 4.07 -1.05 -2.07 115.31 116.68 1dix h LEU 116 Ca 0.04 -0.49 -0.09 0.00 0.08 0.00 0.00 57.88 57.42 1dix h LEU 116 Cb 0.92 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1dix h LEU 116 CO 0.08 1.29 -0.27 0.44 -1.08 0.00 0.00 178.44 178.90 1dix h ASP 117 N 0.70 0.34 -0.36 -0.43 3.45 -0.54 -2.55 116.42 117.03 1dix h ASP 117 Ca 0.03 -0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.34 1dix h ASP 117 Cb 1.08 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.74 1dix h ASP 117 CO 0.11 0.61 0.08 -0.07 -1.57 0.00 0.00 179.24 178.41 1dix h LEU 118 N 0.30 0.56 -1.00 1.55 3.38 -1.16 -2.73 115.31 116.22 1dix h LEU 118 Ca 0.04 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.83 1dix h LEU 118 Cb 0.64 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1dix h LEU 118 CO 0.05 0.65 0.65 0.50 0.09 0.00 0.00 178.44 180.38 1dix h LYS 119 N 0.44 1.16 0.00 1.13 1.63 -1.11 -2.12 116.57 117.70 1dix h LYS 119 Ca 0.11 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1dix h LYS 119 Cb 0.32 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1dix h LYS 119 CO 0.00 0.77 0.00 -0.91 -3.45 0.00 0.00 179.45 175.86 1dix h ASN 120 N 1.20 0.00 0.00 4.20 2.35 -1.16 -2.56 115.58 119.61 1dix h ASN 120 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1dix h ASN 120 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1dix h ASN 120 CO -0.16 0.00 -1.30 0.00 -1.65 0.00 0.00 177.43 174.32 1dix n GLN 121 N -3.00 0.94 -3.73 0.81 6.02 -0.90 -4.73 117.38 112.79 1dix n GLN 121 Ca -0.00 -0.08 -0.34 0.00 -0.01 0.00 0.00 57.00 56.57 1dix n GLN 121 Cb 0.25 -1.36 -0.09 0.00 1.02 0.00 0.00 30.24 30.05 1dix n GLN 121 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1dix s ILE 122 N -2.92 3.77 -0.90 5.09 1.01 -0.85 -5.02 121.20 121.38 1dix s ILE 122 Ca 0.00 -3.64 -0.23 0.00 0.00 0.00 0.00 60.65 56.78 1dix s ILE 122 Cb 0.12 -3.41 0.06 0.00 0.01 0.00 0.00 42.46 39.25 1dix s ILE 122 CO 0.72 -0.99 1.29 -0.62 0.00 0.00 0.00 174.94 175.34 1dix s ASP 123 N -0.16 6.41 0.06 3.58 -1.08 -1.25 -4.78 116.67 119.44 1dix s ASP 123 Ca 0.23 -1.30 -0.18 0.00 -0.52 0.00 0.00 52.55 50.78 1dix s ASP 123 Cb -0.12 -2.51 -0.14 0.00 -1.46 0.00 0.00 42.92 38.69 1dix s ASP 123 CO -0.10 -1.48 1.33 -0.07 0.52 0.00 0.00 175.17 175.37 1dix h LEU 124 N 12.19 0.56 0.04 -1.34 3.38 -1.95 -1.64 115.31 126.54 1dix h LEU 124 Ca 0.03 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1dix h LEU 124 Cb 1.03 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1dix h LEU 124 CO 1.30 0.99 -0.23 0.25 0.09 0.00 0.00 178.44 180.84 1dix h LEU 125 N 0.15 -0.67 -0.27 1.67 5.85 -1.97 -0.83 115.31 119.25 1dix h LEU 125 Ca 0.01 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1dix h LEU 125 Cb 0.87 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 1dix h LEU 125 CO 0.07 -0.30 -0.10 0.28 -0.34 0.00 0.00 178.44 178.05 1dix h SER 126 N -0.38 -0.34 -0.05 1.25 0.02 -1.96 0.70 113.55 112.80 1dix h SER 126 Ca 0.05 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1dix h SER 126 Cb 0.44 0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 1dix h SER 126 CO -0.18 -0.12 -0.29 0.40 -1.14 0.00 0.00 176.83 175.49 1dix h ILE 127 N -0.04 0.34 -0.70 3.27 2.04 -1.22 -1.08 117.51 120.12 1dix h ILE 127 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 1dix h ILE 127 Cb 0.25 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1dix h ILE 127 CO -0.30 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.22 1dix h LEU 128 N -0.41 0.74 -1.30 1.44 3.38 -0.22 -2.98 115.31 115.96 1dix h LEU 128 Ca 0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1dix h LEU 128 Cb 0.52 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1dix h LEU 128 CO -0.28 0.52 0.48 1.56 0.09 0.00 0.00 178.44 180.81 1dix h GLN 129 N 0.88 0.93 0.00 1.13 1.08 0.97 0.24 115.11 120.34 1dix h GLN 129 Ca 0.27 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1dix h GLN 129 Cb -0.02 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.21 1dix h GLN 129 CO -0.09 0.61 -0.02 0.78 -0.95 0.00 0.00 178.83 179.16 1dix h GLY 130 N 0.95 0.00 -2.11 3.46 0.00 -1.07 0.24 103.07 104.55 1dix h GLY 130 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1dix h GLY 130 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.48 1dix n ALA 131 N -2.52 2.78 -2.58 3.60 0.00 -0.55 -4.91 120.51 116.32 1dix n ALA 131 Ca -0.03 -1.00 -0.13 0.00 0.00 0.00 0.00 53.44 52.28 1dix n ALA 131 Cb 0.11 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.57 1dix n ALA 131 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1dix n ASP 132 N 0.74 -4.23 -4.19 0.00 4.64 0.85 -4.99 116.55 109.38 1dix n ASP 132 Ca 0.17 -0.13 -0.34 0.00 -1.38 0.00 0.00 54.79 53.11 1dix n ASP 132 Cb 0.58 -3.20 -0.15 0.00 -1.04 0.00 0.00 41.12 37.31 1dix n ASP 132 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1dix s ILE 133 N -2.84 2.77 0.06 5.18 1.01 0.74 -5.00 121.20 123.13 1dix s ILE 133 Ca 0.13 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 59.80 1dix s ILE 133 Cb -0.06 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1dix s ILE 133 CO 0.16 0.22 -0.17 -1.00 0.00 0.00 0.00 174.94 174.15 1dix s HIS 134 N 1.31 1.48 -1.17 3.97 3.76 -1.26 -3.04 115.29 120.34 1dix s HIS 134 Ca 0.00 -0.40 -0.19 0.00 -0.15 0.00 0.00 55.06 54.32 1dix s HIS 134 Cb -0.16 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.64 1dix s HIS 134 CO -0.05 0.10 1.94 -0.35 -0.85 0.00 0.00 174.74 175.53 1dix n PRO 135 N 1.53 2.28 -0.22 8.40 -0.04 -1.26 -4.45 135.00 141.23 1dix n PRO 135 Ca -0.19 -2.56 0.06 0.00 -0.04 0.00 0.00 63.50 60.77 1dix n PRO 135 Cb 0.54 -3.37 0.09 0.00 -0.04 0.00 0.00 33.50 30.71 1dix n PRO 135 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1dix n ASP 136 N 9.31 1.51 -0.32 3.54 5.75 -1.07 -3.89 116.55 131.37 1dix n ASP 136 Ca 0.49 -2.70 -0.04 0.00 -0.01 0.00 0.00 54.79 52.53 1dix n ASP 136 Cb 0.43 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 1dix n ASP 136 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dix n GLY 137 N -0.92 0.49 3.75 6.12 0.00 -0.54 -4.87 105.19 109.21 1dix n GLY 137 Ca 0.10 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1dix n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dix s GLU 138 N -2.05 2.09 -0.02 1.61 2.02 -1.26 -4.68 118.70 116.41 1dix s GLU 138 Ca 0.00 1.34 -0.14 0.00 0.02 0.00 0.00 54.97 56.19 1dix s GLU 138 Cb 0.00 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.31 1dix s GLU 138 CO 0.00 -1.79 0.37 -1.12 0.02 0.00 0.00 175.26 172.74 1dix s SER 139 N -2.98 6.74 0.10 -0.19 0.01 -1.26 -2.15 113.70 113.97 1dix s SER 139 Ca 0.64 0.89 0.08 0.00 1.31 0.00 0.00 55.95 58.87 1dix s SER 139 Cb -0.20 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 1dix s SER 139 CO 0.53 0.33 -0.19 -0.31 0.41 0.00 0.00 173.24 174.01 1dix s TYR 140 N -1.04 1.66 0.33 2.43 1.51 0.50 -4.82 117.35 117.92 1dix s TYR 140 Ca 0.22 -0.43 -0.28 0.00 -1.01 0.00 0.00 57.07 55.57 1dix s TYR 140 Cb -0.16 -0.91 -0.10 0.00 -0.11 0.00 0.00 41.96 40.68 1dix s TYR 140 CO 0.12 0.17 1.19 -0.51 -1.11 0.00 0.00 175.55 175.41 1dix s ASP 141 N -1.88 6.91 0.19 2.29 -0.00 -1.26 -1.04 116.67 121.88 1dix s ASP 141 Ca 0.05 2.43 -0.12 0.00 -0.00 0.00 0.00 52.55 54.91 1dix s ASP 141 Cb -0.10 -2.63 0.11 0.00 -0.00 0.00 0.00 42.92 40.30 1dix s ASP 141 CO 0.04 -0.41 1.81 0.25 -0.00 0.00 0.00 175.17 176.86 1dix h LEU 142 N 3.36 0.80 -1.35 1.23 7.12 -1.47 -2.15 115.31 122.85 1dix h LEU 142 Ca -0.48 -0.08 0.10 0.00 0.13 0.00 0.00 57.88 57.54 1dix h LEU 142 Cb 1.22 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 41.09 1dix h LEU 142 CO 0.65 0.65 0.52 -0.37 -0.13 0.00 0.00 178.44 179.76 1dix h VAL 143 N 0.88 0.95 -0.09 1.05 -1.51 -1.91 -1.70 116.25 113.93 1dix h VAL 143 Ca 0.23 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 1dix h VAL 143 Cb 0.02 0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 29.33 1dix h VAL 143 CO -0.04 0.13 0.02 0.78 -1.23 0.00 0.00 177.57 177.23 1dix h ASN 144 N 0.73 0.14 0.16 4.19 2.35 -1.77 -0.30 115.58 121.08 1dix h ASN 144 Ca 0.37 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1dix h ASN 144 Cb 0.45 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1dix h ASN 144 CO -0.14 0.35 -0.25 0.40 -1.65 0.00 0.00 177.43 176.14 1dix h ILE 145 N -0.08 0.45 -0.23 2.81 2.04 -1.45 0.07 117.51 121.12 1dix h ILE 145 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1dix h ILE 145 Cb 0.27 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1dix h ILE 145 CO 0.00 0.00 -0.30 -0.09 0.00 0.00 0.00 178.15 177.76 1dix h ARG 146 N -0.48 -0.20 -0.63 2.37 2.43 -1.30 -2.60 114.38 113.97 1dix h ARG 146 Ca 0.02 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1dix h ARG 146 Cb 0.49 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1dix h ARG 146 CO -0.12 -0.14 0.42 -0.91 -1.51 0.00 0.00 179.97 177.72 1dix h ASN 147 N -0.21 0.40 -0.55 -3.80 2.35 -1.10 0.58 115.58 113.24 1dix h ASN 147 Ca 0.04 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1dix h ASN 147 Cb 0.32 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1dix h ASN 147 CO -0.33 0.24 0.09 0.00 -1.65 0.00 0.00 177.43 175.78 1dix h ALA 148 N 1.68 0.74 -0.19 -0.83 0.00 -0.76 0.33 119.26 120.22 1dix h ALA 148 Ca 0.29 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1dix h ALA 148 Cb 0.55 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1dix h ALA 148 CO -0.09 0.48 -0.11 0.82 0.00 0.00 0.00 179.25 180.35 1dix h ILE 149 N 0.81 1.32 -0.63 0.00 2.04 -1.20 -2.52 117.51 117.32 1dix h ILE 149 Ca 0.17 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 1dix h ILE 149 Cb 0.41 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1dix h ILE 149 CO 0.01 0.36 0.29 0.50 0.00 0.00 0.00 178.15 179.31 1dix h LYS 150 N 0.09 0.92 -0.73 2.37 3.64 -0.56 0.23 116.57 122.54 1dix h LYS 150 Ca 0.04 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1dix h LYS 150 Cb 0.61 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1dix h LYS 150 CO 0.03 0.75 0.48 0.77 -2.27 0.00 0.00 179.45 179.21 1dix h SER 151 N 0.87 0.79 0.55 4.20 0.02 -0.41 0.48 113.55 120.05 1dix h SER 151 Ca 0.21 -0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 60.86 1dix h SER 151 Cb 0.14 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1dix h SER 151 CO -0.02 0.55 -1.34 0.00 -1.14 0.00 0.00 176.83 174.87 1dix h ALA 152 N 1.57 0.13 0.00 3.77 0.00 -0.78 -3.38 119.26 120.56 1dix h ALA 152 Ca 0.28 -0.95 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1dix h ALA 152 Cb -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1dix h ALA 152 CO -0.07 1.00 -1.87 0.44 0.00 0.00 0.00 179.25 178.75 1dix n ILE 153 N -3.52 0.31 -0.22 0.00 -5.35 0.70 -5.00 119.36 106.29 1dix n ILE 153 Ca -0.11 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1dix n ILE 153 Cb 1.04 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1dix n ILE 153 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dix n GLY 154 N 1.68 0.64 3.22 3.28 0.00 0.17 -5.03 105.19 109.14 1dix n GLY 154 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 1dix n GLY 154 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dix s TYR 155 N -2.47 1.34 -0.14 1.61 1.51 -1.25 -5.00 117.35 112.95 1dix s TYR 155 Ca 0.00 -0.53 -0.25 0.00 -1.01 0.00 0.00 57.07 55.28 1dix s TYR 155 Cb 0.00 -0.72 -0.02 0.00 -0.11 0.00 0.00 41.96 41.11 1dix s TYR 155 CO 0.00 0.11 0.80 0.99 -1.11 0.00 0.00 175.55 176.34 1dix s THR 156 N -1.85 4.92 0.89 -0.71 2.01 -1.26 -4.17 115.64 115.48 1dix s THR 156 Ca 0.05 1.59 -0.14 0.00 0.31 0.00 0.00 61.69 63.51 1dix s THR 156 Cb -0.07 -4.12 0.14 0.00 0.01 0.00 0.00 72.50 68.47 1dix s THR 156 CO 0.03 0.08 1.24 -2.16 -0.69 0.00 0.00 174.62 173.12 1dix s PRO 157 N 1.81 1.24 -0.11 4.92 0.04 -1.26 -4.68 135.00 136.96 1dix s PRO 157 Ca 0.38 -0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.34 1dix s PRO 157 Cb -0.17 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1dix s PRO 157 CO 0.14 -2.06 -0.22 -0.46 0.04 0.00 0.00 177.00 174.45 1dix s TRP 158 N -3.69 2.46 -0.22 0.56 -0.11 0.08 -4.95 118.94 113.07 1dix s TRP 158 Ca 0.68 -1.07 -0.09 0.00 1.22 0.00 0.00 56.10 56.83 1dix s TRP 158 Cb -0.08 -1.67 -0.04 0.00 -1.50 0.00 0.00 33.47 30.18 1dix s TRP 158 CO 0.51 -0.46 0.12 0.42 -4.62 0.00 0.00 176.95 172.92 1dix s ILE 159 N 0.53 5.08 -0.07 5.86 -1.09 -1.26 -0.05 121.20 130.20 1dix s ILE 159 Ca -0.15 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 1dix s ILE 159 Cb -0.17 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1dix s ILE 159 CO 0.05 0.39 -0.11 -1.58 -1.23 0.00 0.00 174.94 172.47 1dix s GLN 160 N 0.80 2.69 0.26 2.79 0.74 -0.44 -4.87 119.66 121.63 1dix s GLN 160 Ca 0.06 -0.63 0.08 0.00 0.05 0.00 0.00 55.36 54.92 1dix s GLN 160 Cb -0.13 -2.49 -0.04 0.00 1.10 0.00 0.00 33.01 31.45 1dix s GLN 160 CO 0.02 0.60 0.09 0.00 -0.55 0.00 0.00 175.29 175.45 1dix n ASN 162 N -1.03 0.96 -4.21 0.00 2.04 -1.00 -4.85 115.26 107.17 1dix n ASN 162 Ca -0.07 -0.68 -0.28 0.00 -0.44 0.00 0.00 54.58 53.11 1dix n ASN 162 Cb 0.58 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.68 1dix n ASN 162 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1dix s VAL 163 N -1.05 1.67 0.04 3.53 1.01 -1.26 -1.54 120.40 122.80 1dix s VAL 163 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1dix s VAL 163 Cb 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1dix s VAL 163 CO 0.00 0.47 0.05 -0.90 0.00 0.00 0.00 175.10 174.73 1dix n ASP 164 N 2.81 -0.09 0.19 3.32 3.85 -0.07 -4.76 116.55 121.81 1dix n ASP 164 Ca -0.17 -0.97 0.04 0.00 -0.71 0.00 0.00 54.79 52.98 1dix n ASP 164 Cb 0.53 -0.04 0.38 0.00 -1.35 0.00 0.00 41.12 40.63 1dix n ASP 164 CO 0.00 0.00 0.00 -0.61 -1.01 0.00 0.00 177.20 175.58 1dix h GLN 165 N 0.00 0.00 -0.30 0.11 4.15 -1.19 -0.88 115.11 116.99 1dix h GLN 165 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1dix h GLN 165 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1dix h GLN 165 CO 0.01 0.37 0.00 0.43 -1.93 0.00 0.00 178.83 177.71 1dix n SER 166 N -3.94 1.77 0.00 -0.69 7.64 -1.26 -4.83 113.62 112.30 1dix n SER 166 Ca -0.02 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1dix n SER 166 Cb 0.42 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1dix n SER 166 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dix n GLY 167 N 1.05 0.64 3.83 0.23 0.00 -0.34 -5.05 105.19 105.55 1dix n GLY 167 Ca 0.12 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1dix n GLY 167 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dix s ASN 168 N -2.22 6.94 -0.17 1.61 0.02 -1.26 -4.75 114.94 115.11 1dix s ASN 168 Ca 0.00 1.12 -0.27 0.00 -1.02 0.00 0.00 52.86 52.69 1dix s ASN 168 Cb 0.00 -2.31 -0.01 0.00 0.02 0.00 0.00 41.25 38.96 1dix s ASN 168 CO 0.00 0.27 0.93 -0.55 0.02 0.00 0.00 177.10 177.77 1dix s SER 169 N -1.18 7.06 0.15 -1.22 0.15 -1.26 -0.89 113.70 116.51 1dix s SER 169 Ca 0.28 1.31 0.06 0.00 0.70 0.00 0.00 55.95 58.30 1dix s SER 169 Cb -0.18 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 1dix s SER 169 CO 0.17 -0.48 -0.12 0.00 1.20 0.00 0.00 173.24 174.00 1dix s GLN 170 N 2.40 1.10 -0.02 5.44 -2.07 -0.59 -2.79 119.66 123.14 1dix s GLN 170 Ca 0.42 -1.41 -0.30 0.00 -1.82 0.00 0.00 55.36 52.26 1dix s GLN 170 Cb -0.17 -0.83 -0.08 0.00 -1.09 0.00 0.00 33.01 30.85 1dix s GLN 170 CO 0.12 0.13 2.02 -1.17 -1.32 0.00 0.00 175.29 175.07 1dix s LEU 171 N -2.95 4.23 -0.07 2.60 2.96 -0.55 -2.38 118.68 122.52 1dix s LEU 171 Ca 0.15 2.51 -0.08 0.00 -0.22 0.00 0.00 54.13 56.49 1dix s LEU 171 Cb -0.01 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1dix s LEU 171 CO 0.03 -1.24 -0.16 0.00 -1.32 0.00 0.00 176.35 173.65 1dix n TYR 172 N 8.40 0.00 -3.78 5.38 9.36 -0.80 -4.66 117.16 131.06 1dix n TYR 172 Ca 0.22 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.31 1dix n TYR 172 Cb 0.42 -0.32 -0.09 0.00 -0.63 0.00 0.00 39.34 38.71 1dix n TYR 172 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1dix s GLN 173 N -2.35 0.59 -0.05 2.98 -0.21 -0.89 0.11 119.66 119.84 1dix s GLN 173 Ca -0.15 -0.13 0.06 0.00 0.02 0.00 0.00 55.36 55.15 1dix s GLN 173 Cb 0.04 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.30 1dix s GLN 173 CO 0.21 -0.15 -0.22 0.08 -2.12 0.00 0.00 175.29 173.09 1dix s VAL 174 N -1.11 1.84 -0.14 1.09 1.01 -0.05 -1.32 120.40 121.71 1dix s VAL 174 Ca -0.12 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1dix s VAL 174 Cb -0.05 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1dix s VAL 174 CO 0.03 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.23 1dix s TYR 175 N -0.14 2.85 0.07 5.22 1.51 0.93 -1.16 117.35 126.63 1dix s TYR 175 Ca -0.03 -0.66 0.09 0.00 -1.01 0.00 0.00 57.07 55.46 1dix s TYR 175 Cb -0.13 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1dix s TYR 175 CO 0.03 -0.24 -0.23 0.42 -1.11 0.00 0.00 175.55 174.42 1dix s ILE 176 N 0.49 2.46 0.08 2.71 1.01 -0.49 -0.74 121.20 126.73 1dix s ILE 176 Ca -0.08 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.17 1dix s ILE 176 Cb -0.15 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1dix s ILE 176 CO 0.04 0.27 0.17 0.00 0.00 0.00 0.00 174.94 175.41 1dix s VAL 178 N -1.51 1.38 0.96 0.00 1.01 -0.75 -2.07 120.40 119.41 1dix s VAL 178 Ca 0.33 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1dix s VAL 178 Cb -0.12 -1.17 0.16 0.00 0.00 0.00 0.00 36.38 35.25 1dix s VAL 178 CO 0.26 0.29 1.09 1.51 0.00 0.00 0.00 175.10 178.24 1dix s ASP 179 N -0.68 2.89 0.57 3.32 -4.77 -0.29 -0.86 116.67 116.85 1dix s ASP 179 Ca 0.06 1.50 0.28 0.00 -3.30 0.00 0.00 52.55 51.09 1dix s ASP 179 Cb -0.07 -2.17 1.51 0.00 -1.09 0.00 0.00 42.92 41.10 1dix s ASP 179 CO 0.00 -3.01 1.99 1.23 0.70 0.00 0.00 175.17 176.08 1dix h GLY 180 N -1.80 0.00 2.00 2.12 0.00 -1.84 0.20 103.07 103.75 1dix h GLY 180 Ca -0.52 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1dix h GLY 180 CO 0.53 0.00 -0.03 1.76 0.00 0.00 0.00 176.54 178.80 1dix h SER 181 N 0.00 0.00 -0.15 0.19 0.02 -1.91 -3.47 113.55 108.23 1dix h SER 181 Ca 0.19 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1dix h SER 181 Cb 0.93 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 1dix h SER 181 CO -0.00 0.03 -0.06 0.61 -1.14 0.00 0.00 176.83 176.27 1dix n GLY 182 N 0.35 0.63 0.12 -3.77 0.00 0.06 -4.93 105.19 97.65 1dix n GLY 182 Ca 0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 1dix n GLY 182 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dix n SER 183 N 0.85 1.20 -3.79 1.61 7.64 -1.26 -4.93 113.62 114.93 1dix n SER 183 Ca -0.03 0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.74 1dix n SER 183 Cb 0.14 0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.29 1dix n SER 183 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1dix s SER 184 N -6.19 -0.20 0.26 6.43 1.04 -1.26 -5.00 113.70 108.77 1dix s SER 184 Ca -0.21 0.24 -0.31 0.00 0.48 0.00 0.00 55.95 56.15 1dix s SER 184 Cb 0.08 0.41 -0.13 0.00 0.10 0.00 0.00 66.02 66.47 1dix s SER 184 CO 0.73 -0.29 1.39 0.18 0.98 0.00 0.00 173.24 176.22 1dix n LEU 185 N 1.99 3.18 -4.24 2.42 4.77 -1.26 -1.14 117.00 122.72 1dix n LEU 185 Ca -0.18 1.15 -0.14 0.00 -0.03 0.00 0.00 56.01 56.81 1dix n LEU 185 Cb 0.57 -1.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.12 1dix n LEU 185 CO 0.20 -0.49 -0.41 0.27 -1.33 0.00 0.00 177.39 175.63 1dix s ILE 186 N -0.24 1.13 0.32 -0.08 -4.36 -0.88 -4.82 121.20 112.26 1dix s ILE 186 Ca 0.66 -2.05 -0.29 0.00 -0.26 0.00 0.00 60.65 58.71 1dix s ILE 186 Cb -0.63 -1.83 -0.11 0.00 1.25 0.00 0.00 42.46 41.14 1dix s ILE 186 CO 0.52 -0.76 1.57 -1.61 0.24 0.00 0.00 174.94 174.91 1dix s GLU 187 N -3.74 4.11 0.46 0.37 0.41 -1.26 -4.10 118.70 114.93 1dix s GLU 187 Ca 0.16 2.60 -0.25 0.00 -0.41 0.00 0.00 54.97 57.07 1dix s GLU 187 Cb 0.03 -3.00 -0.08 0.00 -1.78 0.00 0.00 34.13 29.30 1dix s GLU 187 CO 0.00 -0.62 1.37 0.00 -0.49 0.00 0.00 175.26 175.52 1dix h PRO 189 N 2.25 0.00 -2.70 0.00 0.11 -1.97 -3.46 132.00 126.24 1dix h PRO 189 Ca -0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1dix h PRO 189 Cb 1.27 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.21 1dix h PRO 189 CO 0.61 0.56 0.06 -1.50 -0.21 0.00 0.00 178.00 177.51 1dix s ILE 190 N -3.48 0.03 0.17 4.15 2.07 -1.26 -5.07 121.20 117.80 1dix s ILE 190 Ca -0.00 -0.21 0.08 0.00 -1.41 0.00 0.00 60.65 59.11 1dix s ILE 190 Cb 0.11 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 1dix s ILE 190 CO 0.74 -0.11 -0.07 -0.36 -1.91 0.00 0.00 174.94 173.22 1dix s PHE 191 N -2.33 2.70 1.00 3.50 0.08 -1.26 -5.04 117.98 116.62 1dix s PHE 191 Ca -0.06 -0.19 -0.14 0.00 0.12 0.00 0.00 56.93 56.66 1dix s PHE 191 Cb -0.01 -1.33 0.19 0.00 -0.57 0.00 0.00 43.02 41.30 1dix s PHE 191 CO -0.01 0.50 1.13 -1.25 -0.10 0.00 0.00 175.22 175.49 1dix s PRO 192 N -2.75 0.45 0.95 0.24 0.05 -1.26 -5.03 135.00 127.64 1dix s PRO 192 Ca 0.25 0.24 -0.14 0.00 0.05 0.00 0.00 61.00 61.40 1dix s PRO 192 Cb -0.09 -1.76 0.16 0.00 0.05 0.00 0.00 34.50 32.86 1dix s PRO 192 CO 0.16 -2.66 1.20 0.20 0.05 0.00 0.00 177.00 175.94 1dix s GLY 193 N -3.88 1.64 0.00 0.56 0.00 -1.26 -5.05 107.32 99.33 1dix s GLY 193 Ca 0.66 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1dix s GLY 193 CO 0.55 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 174.11 1dix n GLY 194 N -2.71 3.02 3.00 0.20 0.00 -1.26 -5.05 105.19 102.39 1dix n GLY 194 Ca 0.10 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 1dix n GLY 194 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dix s LYS 195 N -1.95 0.59 0.00 1.61 2.20 -1.26 -5.02 119.74 115.91 1dix s LYS 195 Ca 0.00 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1dix s LYS 195 Cb 0.00 -0.57 0.00 0.00 -1.51 0.00 0.00 37.83 35.75 1dix s LYS 195 CO 0.00 0.15 0.00 0.00 -0.36 0.00 0.00 175.35 175.14 1dix n GLY 197 N 3.03 -2.39 0.09 0.00 0.00 -1.26 -4.74 105.19 99.92 1dix n GLY 197 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 1dix n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dix h THR 198 N -0.47 1.37 -3.37 2.61 1.03 -1.99 -3.43 112.91 108.66 1dix h THR 198 Ca -0.04 -2.96 -0.41 0.00 -0.01 0.00 0.00 66.41 62.99 1dix h THR 198 Cb 0.46 2.67 -0.36 0.00 -1.07 0.00 0.00 68.15 69.86 1dix h THR 198 CO 0.02 0.78 -0.76 -0.55 -0.01 0.00 0.00 175.52 175.00 1dix s SER 199 N -6.59 1.13 0.03 0.00 0.15 -1.26 -1.31 113.70 105.85 1dix s SER 199 Ca 0.02 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.62 1dix s SER 199 Cb 0.09 -0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.00 1dix s SER 199 CO 0.79 -0.13 -0.10 0.27 1.20 0.00 0.00 173.24 175.27 1dix s ILE 200 N 1.45 0.76 0.70 6.45 -4.36 -0.20 -4.84 121.20 121.16 1dix s ILE 200 Ca -0.03 -0.82 -0.15 0.00 -0.26 0.00 0.00 60.65 59.39 1dix s ILE 200 Cb -0.13 -0.72 0.03 0.00 1.25 0.00 0.00 42.46 42.89 1dix s ILE 200 CO -0.03 -0.08 1.17 -1.61 0.24 0.00 0.00 174.94 174.63 1dix s GLU 201 N -1.01 2.39 -0.31 0.37 2.02 -1.12 -0.37 118.70 120.67 1dix s GLU 201 Ca -0.02 1.61 0.03 0.00 0.02 0.00 0.00 54.97 56.61 1dix s GLU 201 Cb -0.07 -1.88 0.09 0.00 0.10 0.00 0.00 34.13 32.37 1dix s GLU 201 CO 0.01 -1.61 0.00 0.12 0.02 0.00 0.00 175.26 173.79 1dix s PHE 202 N -2.13 3.37 0.48 1.61 5.36 -0.91 -1.48 117.98 124.27 1dix s PHE 202 Ca 0.71 -2.63 -0.20 0.00 -0.96 0.00 0.00 56.93 53.85 1dix s PHE 202 Cb -0.25 -2.46 -0.09 0.00 -0.34 0.00 0.00 43.02 39.88 1dix s PHE 202 CO 0.44 -0.91 1.02 -1.25 -1.46 0.00 0.00 175.22 173.05 1dix s PRO 203 N 1.05 3.90 0.76 10.12 0.04 -1.26 -1.47 135.00 148.13 1dix s PRO 203 Ca 0.04 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 1dix s PRO 203 Cb -0.19 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.29 1dix s PRO 203 CO -0.08 -0.34 1.10 0.95 0.04 0.00 0.00 177.00 178.67 1dix s THR 204 N -2.06 3.17 0.00 1.26 -4.23 -1.25 -4.63 115.64 107.90 1dix s THR 204 Ca 0.66 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1dix s THR 204 Cb -0.14 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1dix s THR 204 CO 0.19 -0.46 0.00 0.33 -0.54 0.00 0.00 174.62 174.14