#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uul n GLU 5 N 0.00 0.00 -3.61 1.61 1.02 -1.19 -4.43 120.64 114.05 1uul n GLU 5 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1uul n GLU 5 Cb 0.00 -0.70 -0.11 0.00 -0.02 0.00 0.00 31.44 30.61 1uul n GLU 5 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uul s ALA 6 N -0.03 3.26 0.04 0.62 0.00 -1.17 -4.70 121.76 119.78 1uul s ALA 6 Ca 0.00 -1.68 0.07 0.00 0.00 0.00 0.00 51.96 50.35 1uul s ALA 6 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1uul s ALA 6 CO 0.00 -1.32 -0.18 -1.21 0.00 0.00 0.00 175.76 173.05 1uul s GLU 7 N 1.55 2.08 0.41 0.00 2.02 -1.26 -5.02 118.70 118.48 1uul s GLU 7 Ca 0.02 -0.97 -0.26 0.00 0.02 0.00 0.00 54.97 53.78 1uul s GLU 7 Cb -0.19 -2.19 -0.09 0.00 0.10 0.00 0.00 34.13 31.76 1uul s GLU 7 CO 0.06 0.54 1.29 -0.51 0.02 0.00 0.00 175.26 176.67 1uul s ASP 8 N -1.41 6.31 -1.11 -0.19 1.01 -1.26 -2.63 116.67 117.39 1uul s ASP 8 Ca 0.14 2.63 0.00 0.00 0.71 0.00 0.00 52.55 56.03 1uul s ASP 8 Cb -0.10 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1uul s ASP 8 CO 0.05 -0.85 0.00 0.18 0.21 0.00 0.00 175.17 174.76 1uul n LEU 9 N 0.10 -0.78 -4.39 1.23 7.99 0.23 -4.96 117.00 116.42 1uul n LEU 9 Ca 0.04 0.25 -0.24 0.00 -0.01 0.00 0.00 56.01 56.06 1uul n LEU 9 Cb 0.44 -1.69 -0.11 0.00 -0.11 0.00 0.00 43.42 41.94 1uul n LEU 9 CO 0.55 -0.54 -0.50 -1.00 -1.51 0.00 0.00 177.39 174.40 1uul s HIS 10 N -2.39 2.05 0.14 -1.77 3.76 -1.08 -4.91 115.29 111.09 1uul s HIS 10 Ca 0.00 -0.42 -0.35 0.00 -0.15 0.00 0.00 55.06 54.15 1uul s HIS 10 Cb 0.00 -0.99 -0.15 0.00 1.11 0.00 0.00 32.58 32.55 1uul s HIS 10 CO 0.00 0.46 1.49 -0.35 -0.85 0.00 0.00 174.74 175.48 1uul n PRO 11 N 0.08 1.80 -1.86 8.40 -0.04 -1.26 -1.65 135.00 140.47 1uul n PRO 11 Ca -0.11 0.65 -0.37 0.00 -0.04 0.00 0.00 63.50 63.63 1uul n PRO 11 Cb 0.57 -2.37 0.04 0.00 -0.04 0.00 0.00 33.50 31.71 1uul n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uul s ALA 12 N 0.72 2.61 0.16 0.55 0.00 0.52 -4.78 121.76 121.54 1uul s ALA 12 Ca 0.80 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 53.63 1uul s ALA 12 Cb -0.77 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 18.72 1uul s ALA 12 CO 0.41 -1.34 1.74 -2.14 0.00 0.00 0.00 175.76 174.43 1uul s PRO 13 N -3.15 4.15 0.22 0.00 0.02 -1.26 -4.91 135.00 130.06 1uul s PRO 13 Ca 0.76 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 64.03 1uul s PRO 13 Cb -0.36 -3.34 -0.08 0.00 0.02 0.00 0.00 34.50 30.74 1uul s PRO 13 CO 0.40 -0.77 1.06 0.34 -0.33 0.00 0.00 177.00 177.71 1uul s ASP 14 N 1.90 7.35 0.17 2.53 2.15 -1.26 -5.03 116.67 124.47 1uul s ASP 14 Ca 0.77 2.11 0.05 0.00 0.43 0.00 0.00 52.55 55.91 1uul s ASP 14 Cb -0.47 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.50 1uul s ASP 14 CO 0.34 -0.12 -0.11 0.72 -0.17 0.00 0.00 175.17 175.83 1uul s PHE 15 N -0.71 1.40 -0.47 -5.34 -0.12 -1.26 -5.01 117.98 106.46 1uul s PHE 15 Ca 0.46 -0.72 0.07 0.00 -0.05 0.00 0.00 56.93 56.69 1uul s PHE 15 Cb -0.29 -0.70 0.19 0.00 -0.63 0.00 0.00 43.02 41.58 1uul s PHE 15 CO 0.36 0.15 0.68 1.21 -0.05 0.00 0.00 175.22 177.57 1uul s ASN 16 N -3.21 -1.44 0.35 1.98 2.47 -1.26 -1.62 114.94 112.21 1uul s ASN 16 Ca 0.19 -1.36 0.04 0.00 0.42 0.00 0.00 52.86 52.15 1uul s ASN 16 Cb 0.02 1.90 -0.06 0.00 -1.45 0.00 0.00 41.25 41.66 1uul s ASN 16 CO 0.03 -0.10 0.06 -1.61 -3.72 0.00 0.00 177.10 171.76 1uul s GLU 17 N 1.27 1.73 0.34 0.43 0.41 -0.89 -4.85 118.70 117.13 1uul s GLU 17 Ca 0.24 -1.98 -0.28 0.00 -0.41 0.00 0.00 54.97 52.54 1uul s GLU 17 Cb -0.02 -0.89 -0.10 0.00 -1.78 0.00 0.00 34.13 31.34 1uul s GLU 17 CO -0.06 -0.23 1.22 0.99 -0.49 0.00 0.00 175.26 176.69 1uul s THR 18 N -3.24 3.02 0.03 3.63 2.01 -1.26 -0.02 115.64 119.82 1uul s THR 18 Ca 0.33 0.97 -0.03 0.00 0.31 0.00 0.00 61.69 63.28 1uul s THR 18 Cb 0.08 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 1uul s THR 18 CO 0.15 0.19 0.03 0.00 -0.69 0.00 0.00 174.62 174.30 1uul s ALA 19 N -1.23 0.13 -0.39 7.40 0.00 0.50 -1.48 121.76 126.69 1uul s ALA 19 Ca 0.50 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 1uul s ALA 19 Cb -0.35 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1uul s ALA 19 CO 0.46 -0.28 0.75 -1.17 0.00 0.00 0.00 175.76 175.52 1uul s LEU 20 N -2.10 4.20 0.49 0.00 2.96 -0.27 -2.26 118.68 121.70 1uul s LEU 20 Ca -0.06 0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.88 1uul s LEU 20 Cb -0.02 -2.95 -0.07 0.00 0.50 0.00 0.00 46.19 43.65 1uul s LEU 20 CO -0.05 -0.76 0.92 -0.04 -1.32 0.00 0.00 176.35 175.11 1uul s MET 21 N 3.06 3.86 0.31 1.98 -1.94 -0.30 -1.97 119.30 124.30 1uul s MET 21 Ca 0.29 0.78 0.05 0.00 -1.71 0.00 0.00 55.69 55.10 1uul s MET 21 Cb -0.13 -2.21 0.82 0.00 2.01 0.00 0.00 34.83 35.32 1uul s MET 21 CO 0.18 -0.23 1.62 -1.35 -0.01 0.00 0.00 175.02 175.23 1uul h PRO 22 N 0.89 0.12 0.00 2.03 0.11 -1.77 0.14 132.00 133.52 1uul h PRO 22 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1uul h PRO 22 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1uul h PRO 22 CO 0.62 0.08 0.00 0.27 -0.21 0.00 0.00 178.00 178.76 1uul n ASN 23 N -5.30 0.00 0.00 -2.05 6.94 -1.26 -4.62 115.26 108.97 1uul n ASN 23 Ca 0.25 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 55.14 1uul n ASN 23 Cb 0.80 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1uul n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1uul n GLY 24 N 0.02 0.75 3.99 4.83 0.00 0.49 -5.09 105.19 110.18 1uul n GLY 24 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1uul n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uul s THR 25 N -2.01 2.27 -0.22 2.61 -4.23 -1.26 -4.84 115.64 107.96 1uul s THR 25 Ca 0.00 -0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 59.84 1uul s THR 25 Cb 0.00 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1uul s THR 25 CO 0.00 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.66 1uul s PHE 26 N -3.01 2.96 0.01 3.99 0.08 -1.26 -1.15 117.98 119.61 1uul s PHE 26 Ca 0.64 -1.12 -0.03 0.00 0.12 0.00 0.00 56.93 56.54 1uul s PHE 26 Cb -0.07 -2.08 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1uul s PHE 26 CO 0.42 -0.61 0.03 0.21 -0.10 0.00 0.00 175.22 175.18 1uul s LYS 27 N 1.43 0.33 0.17 0.44 2.20 -0.96 -4.94 119.74 118.42 1uul s LYS 27 Ca 0.05 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 1uul s LYS 27 Cb -0.15 0.13 -0.07 0.00 -1.51 0.00 0.00 37.83 36.23 1uul s LYS 27 CO -0.04 -0.06 1.14 0.15 -0.36 0.00 0.00 175.35 176.17 1uul s LYS 28 N -1.24 4.54 -0.07 4.03 -0.14 -1.26 -0.37 119.74 125.24 1uul s LYS 28 Ca -0.13 1.78 0.06 0.00 -1.36 0.00 0.00 55.97 56.31 1uul s LYS 28 Cb -0.08 -3.27 -0.01 0.00 -1.68 0.00 0.00 37.83 32.79 1uul s LYS 28 CO -0.00 -0.02 -0.24 0.08 -0.76 0.00 0.00 175.35 174.41 1uul s VAL 29 N -0.03 2.10 -0.04 3.17 1.01 0.98 -4.91 120.40 122.66 1uul s VAL 29 Ca 0.51 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1uul s VAL 29 Cb -0.30 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1uul s VAL 29 CO 0.35 0.57 -0.21 0.00 0.00 0.00 0.00 175.10 175.81 1uul s ALA 30 N -0.09 1.80 0.31 5.51 0.00 -1.26 -2.10 121.76 125.92 1uul s ALA 30 Ca -0.06 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.11 1uul s ALA 30 Cb -0.14 -0.56 0.80 0.00 0.00 0.00 0.00 23.12 23.22 1uul s ALA 30 CO 0.04 0.35 1.72 1.25 0.00 0.00 0.00 175.76 179.13 1uul h LEU 31 N 6.09 0.56 -2.60 0.00 5.85 -1.70 0.35 115.31 123.85 1uul h LEU 31 Ca -0.33 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1uul h LEU 31 Cb 1.17 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1uul h LEU 31 CO 0.47 0.08 0.08 0.71 -0.34 0.00 0.00 178.44 179.45 1uul h THR 32 N 0.53 0.21 -0.01 1.05 1.35 -1.96 -0.99 112.91 113.09 1uul h THR 32 Ca 0.60 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.46 1uul h THR 32 Cb 1.12 0.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1uul h THR 32 CO -0.48 0.00 0.04 0.28 -0.25 0.00 0.00 175.52 175.11 1uul h SER 33 N 0.00 0.00 -0.33 5.36 0.02 -0.70 -0.63 113.55 117.26 1uul h SER 33 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1uul h SER 33 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1uul h SER 33 CO -0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1uul n TYR 34 N -3.22 0.42 -1.65 3.45 4.02 -0.37 -4.93 117.16 114.88 1uul n TYR 34 Ca -0.03 -0.21 -0.48 0.00 -0.01 0.00 0.00 57.90 57.17 1uul n TYR 34 Cb 0.11 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.38 1uul n TYR 34 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1uul n LYS 35 N 1.49 1.81 0.00 -0.72 4.81 -0.25 -0.08 118.16 125.22 1uul n LYS 35 Ca 0.19 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1uul n LYS 35 Cb 0.61 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1uul n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uul n GLY 36 N 3.25 3.14 3.82 3.14 0.00 -0.77 -5.06 105.19 112.70 1uul n GLY 36 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1uul n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uul s LYS 37 N -0.70 2.42 0.12 1.61 -0.14 0.88 -4.77 119.74 119.17 1uul s LYS 37 Ca 0.00 -1.63 -0.12 0.00 -1.36 0.00 0.00 55.97 52.86 1uul s LYS 37 Cb 0.00 -2.23 -0.06 0.00 -1.68 0.00 0.00 37.83 33.86 1uul s LYS 37 CO 0.00 -0.13 0.48 -1.58 -0.76 0.00 0.00 175.35 173.36 1uul s TRP 38 N -2.50 3.58 -0.01 3.18 0.52 -0.28 -2.37 118.94 121.06 1uul s TRP 38 Ca 0.45 0.91 0.04 0.00 0.02 0.00 0.00 56.10 57.51 1uul s TRP 38 Cb -0.01 -2.25 -0.01 0.00 -1.15 0.00 0.00 33.47 30.05 1uul s TRP 38 CO 0.26 0.46 -0.13 -1.17 0.02 0.00 0.00 176.95 176.38 1uul s LEU 39 N -2.02 1.99 -0.35 2.99 2.96 0.10 0.51 118.68 124.85 1uul s LEU 39 Ca 0.36 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1uul s LEU 39 Cb -0.14 -0.69 0.06 0.00 0.50 0.00 0.00 46.19 45.93 1uul s LEU 39 CO 0.19 0.15 0.11 -0.69 -1.32 0.00 0.00 176.35 174.79 1uul s VAL 40 N -0.23 3.42 -0.21 1.68 1.01 -0.10 -0.52 120.40 125.45 1uul s VAL 40 Ca 0.04 -1.48 -0.15 0.00 0.00 0.00 0.00 61.98 60.39 1uul s VAL 40 Cb -0.06 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1uul s VAL 40 CO -0.00 -0.31 0.37 -0.22 0.00 0.00 0.00 175.10 174.94 1uul s LEU 41 N 1.29 4.15 -0.02 3.92 2.96 -0.04 -1.23 118.68 129.70 1uul s LEU 41 Ca -0.00 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 1uul s LEU 41 Cb -0.21 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.01 1uul s LEU 41 CO -0.00 -0.07 -0.07 0.72 -1.32 0.00 0.00 176.35 175.61 1uul s PHE 42 N 1.30 0.77 0.13 5.38 -0.71 -0.27 -0.42 117.98 124.16 1uul s PHE 42 Ca 0.18 -0.18 0.04 0.00 -1.04 0.00 0.00 56.93 55.93 1uul s PHE 42 Cb -0.15 -0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 41.07 1uul s PHE 42 CO 0.08 -0.08 0.12 -0.06 -1.34 0.00 0.00 175.22 173.94 1uul s PHE 43 N 0.18 3.18 0.04 3.49 0.40 0.60 -1.25 117.98 124.62 1uul s PHE 43 Ca -0.02 0.02 -0.04 0.00 -0.60 0.00 0.00 56.93 56.29 1uul s PHE 43 Cb -0.07 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 1uul s PHE 43 CO 0.00 0.52 0.06 1.52 0.70 0.00 0.00 175.22 178.02 1uul s TYR 44 N -1.61 0.27 0.00 0.36 -0.85 -0.87 -3.55 117.35 111.10 1uul s TYR 44 Ca 0.30 -0.62 -0.25 0.00 -0.52 0.00 0.00 57.07 55.99 1uul s TYR 44 Cb -0.11 -0.19 -0.16 0.00 0.38 0.00 0.00 41.96 41.88 1uul s TYR 44 CO 0.23 -0.35 1.17 -1.35 -1.52 0.00 0.00 175.55 173.73 1uul h PRO 45 N 3.66 -0.47 -2.81 -3.49 0.11 -1.78 -3.41 132.00 123.81 1uul h PRO 45 Ca -0.33 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.68 1uul h PRO 45 Cb 1.18 0.11 -0.25 0.00 0.11 0.00 0.00 31.00 32.15 1uul h PRO 45 CO 0.52 -0.16 -0.29 -1.64 -0.21 0.00 0.00 178.00 176.22 1uul s MET 46 N -4.55 0.41 0.75 1.05 -1.94 -1.26 -4.30 119.30 109.46 1uul s MET 46 Ca -0.14 0.57 -0.14 0.00 -1.71 0.00 0.00 55.69 54.27 1uul s MET 46 Cb 0.02 0.15 0.05 0.00 2.01 0.00 0.00 34.83 37.06 1uul s MET 46 CO 0.51 -0.08 1.16 -0.51 -0.01 0.00 0.00 175.02 176.10 1uul s ASP 47 N 0.47 4.19 -1.21 3.03 1.01 -1.26 -3.42 116.67 119.48 1uul s ASP 47 Ca -0.02 2.20 0.00 0.00 0.71 0.00 0.00 52.55 55.44 1uul s ASP 47 Cb -0.04 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1uul s ASP 47 CO -0.02 -2.26 0.00 0.49 0.21 0.00 0.00 175.17 173.59 1uul n PHE 48 N -3.01 -0.21 0.00 4.23 3.72 -1.26 -5.00 117.46 115.94 1uul n PHE 48 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1uul n PHE 48 Cb 0.51 -2.43 0.00 0.00 -0.94 0.00 0.00 39.48 36.62 1uul n PHE 48 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1uul n THR 49 N -3.14 0.00 0.05 4.37 -2.24 -1.22 -5.13 114.28 106.98 1uul n THR 49 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1uul n THR 49 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1uul n THR 49 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1uul n PHE 50 N 0.00 -0.32 -0.09 4.78 3.72 -1.26 -4.60 117.46 119.70 1uul n PHE 50 Ca 0.00 0.06 -0.07 0.00 -0.05 0.00 0.00 57.45 57.39 1uul n PHE 50 Cb 0.00 0.08 0.11 0.00 -0.94 0.00 0.00 39.48 38.73 1uul n PHE 50 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1uul h VAL 51 N 0.00 1.27 -0.65 -4.37 2.07 -1.95 -3.33 116.25 109.29 1uul h VAL 51 Ca 0.00 -1.26 0.13 0.00 0.82 0.00 0.00 66.70 66.38 1uul h VAL 51 Cb 0.00 1.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 1uul h VAL 51 CO 0.00 0.43 0.15 0.00 0.02 0.00 0.00 177.57 178.17 1uul h PRO 53 N 0.28 0.77 -0.58 0.00 0.11 -1.81 0.34 132.00 131.10 1uul h PRO 53 Ca 0.35 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 66.30 1uul h PRO 53 Cb 0.54 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1uul h PRO 53 CO -0.43 0.71 0.38 1.79 -0.21 0.00 0.00 178.00 180.24 1uul h THR 54 N 0.67 1.15 0.06 -1.15 1.35 -1.61 0.60 112.91 113.97 1uul h THR 54 Ca 0.16 -0.28 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1uul h THR 54 Cb 0.26 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1uul h THR 54 CO -0.01 0.14 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.05 1uul h GLU 55 N 0.78 -0.07 -0.66 4.72 5.08 -0.98 -2.32 114.58 121.12 1uul h GLU 55 Ca 0.21 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1uul h GLU 55 Cb -0.09 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1uul h GLU 55 CO -0.05 0.48 0.34 0.82 -1.00 0.00 0.00 179.01 179.60 1uul h ILE 56 N -0.69 1.22 -0.25 3.13 2.04 -0.45 -1.31 117.51 121.19 1uul h ILE 56 Ca -0.01 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1uul h ILE 56 Cb 0.59 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1uul h ILE 56 CO 0.01 0.24 0.08 0.00 0.00 0.00 0.00 178.15 178.48 1uul h GLN 58 N 0.24 0.12 -0.70 0.00 1.08 -1.13 0.55 115.11 115.28 1uul h GLN 58 Ca 0.08 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1uul h GLN 58 Cb 0.24 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1uul h GLN 58 CO -0.00 0.08 0.44 0.74 -0.95 0.00 0.00 178.83 179.14 1uul h PHE 59 N 0.13 0.89 -0.19 2.96 0.04 -0.75 -1.68 116.94 118.34 1uul h PHE 59 Ca 0.24 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.92 1uul h PHE 59 Cb 0.35 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1uul h PHE 59 CO -0.29 0.58 -0.26 1.03 -0.60 0.00 0.00 178.31 178.77 1uul h SER 60 N 0.95 0.55 -0.86 2.17 0.87 0.28 -2.46 113.55 115.04 1uul h SER 60 Ca 0.25 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1uul h SER 60 Cb -0.07 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 1uul h SER 60 CO -0.05 0.95 0.51 0.44 -0.53 0.00 0.00 176.83 178.15 1uul h ASP 61 N 0.16 1.05 -0.45 6.23 3.32 0.60 -2.84 116.42 124.49 1uul h ASP 61 Ca 0.02 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1uul h ASP 61 Cb 0.83 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1uul h ASP 61 CO 0.06 0.81 0.00 0.54 -1.72 0.00 0.00 179.24 178.93 1uul n ARG 62 N -4.36 2.99 -0.37 3.56 1.74 -0.68 -4.55 116.66 114.98 1uul n ARG 62 Ca 0.09 -2.01 -0.07 0.00 -0.77 0.00 0.00 57.85 55.09 1uul n ARG 62 Cb 0.07 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 29.74 1uul n ARG 62 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1uul h VAL 63 N 2.86 0.01 -1.00 1.55 2.07 -1.18 -0.89 116.25 119.66 1uul h VAL 63 Ca 0.00 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.74 1uul h VAL 63 Cb 1.13 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.80 1uul h VAL 63 CO 0.18 0.00 0.62 0.11 0.02 0.00 0.00 177.57 178.50 1uul h LYS 64 N -0.04 0.59 -0.66 1.57 1.57 -1.86 0.42 116.57 118.16 1uul h LYS 64 Ca 0.23 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1uul h LYS 64 Cb 0.51 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1uul h LYS 64 CO -0.92 0.39 0.44 0.93 -0.57 0.00 0.00 179.45 179.71 1uul h GLU 65 N 0.60 0.50 0.19 3.15 5.08 -1.51 0.81 114.58 123.40 1uul h GLU 65 Ca 0.59 -0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 58.61 1uul h GLU 65 Cb 1.15 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 30.30 1uul h GLU 65 CO -0.37 0.33 -1.53 0.74 -1.00 0.00 0.00 179.01 177.18 1uul h PHE 66 N 0.51 0.72 -0.27 4.33 0.04 -0.28 -3.37 116.94 118.64 1uul h PHE 66 Ca 0.30 -0.53 -0.10 0.00 2.80 0.00 0.00 57.97 60.45 1uul h PHE 66 Cb 0.50 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1uul h PHE 66 CO -0.00 1.59 -0.25 1.03 -0.60 0.00 0.00 178.31 180.08 1uul h SER 67 N -0.01 0.51 0.05 2.17 0.87 0.02 -1.33 113.55 115.83 1uul h SER 67 Ca -0.30 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1uul h SER 67 Cb 2.01 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.83 1uul h SER 67 CO 0.18 0.76 -0.01 0.44 -0.53 0.00 0.00 176.83 177.66 1uul h ASP 68 N 0.45 0.00 -0.35 6.23 3.32 0.45 -2.65 116.42 123.88 1uul h ASP 68 Ca 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1uul h ASP 68 Cb 0.68 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 1uul h ASP 68 CO 0.05 0.01 0.01 2.30 -1.72 0.00 0.00 179.24 179.89 1uul n ILE 69 N -3.68 2.46 -1.43 0.35 -5.35 -0.86 -4.95 119.36 105.90 1uul n ILE 69 Ca -0.03 -2.24 0.00 0.00 -0.27 0.00 0.00 62.75 60.21 1uul n ILE 69 Cb 0.10 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 1uul n ILE 69 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uul n GLY 70 N -0.80 0.50 3.07 3.28 0.00 -1.00 -4.94 105.19 105.30 1uul n GLY 70 Ca 0.29 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1uul n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uul s GLU 72 N 0.47 3.07 0.04 0.00 0.41 0.18 -2.79 118.70 120.09 1uul s GLU 72 Ca -0.13 -1.00 0.05 0.00 -0.41 0.00 0.00 54.97 53.48 1uul s GLU 72 Cb -0.15 -2.68 -0.02 0.00 -1.78 0.00 0.00 34.13 29.50 1uul s GLU 72 CO 0.04 0.31 -0.14 0.14 -0.49 0.00 0.00 175.26 175.12 1uul s VAL 73 N -2.12 1.06 -0.08 2.63 -7.23 -1.26 -0.92 120.40 112.48 1uul s VAL 73 Ca 0.36 -0.99 -0.03 0.00 -1.81 0.00 0.00 61.98 59.51 1uul s VAL 73 Cb -0.08 -0.97 0.04 0.00 0.56 0.00 0.00 36.38 35.93 1uul s VAL 73 CO 0.27 -0.02 0.16 -0.22 -0.31 0.00 0.00 175.10 174.99 1uul s LEU 74 N -1.14 0.40 0.42 1.32 2.96 -0.36 -4.50 118.68 117.77 1uul s LEU 74 Ca 0.01 0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1uul s LEU 74 Cb -0.08 0.38 -0.02 0.00 0.50 0.00 0.00 46.19 46.97 1uul s LEU 74 CO 0.01 -0.18 0.65 0.00 -1.32 0.00 0.00 176.35 175.51 1uul s ALA 75 N 1.58 3.66 -0.24 5.97 0.00 -0.99 -1.12 121.76 130.61 1uul s ALA 75 Ca -0.05 -0.90 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 1uul s ALA 75 Cb -0.12 -2.22 0.08 0.00 0.00 0.00 0.00 23.12 20.86 1uul s ALA 75 CO -0.06 -0.25 0.76 0.00 0.00 0.00 0.00 175.76 176.21 1uul s SER 77 N 0.14 -0.21 0.53 0.00 0.15 -1.12 -2.05 113.70 111.13 1uul s SER 77 Ca -0.01 -0.70 0.21 0.00 0.70 0.00 0.00 55.95 56.14 1uul s SER 77 Cb -0.04 0.68 1.40 0.00 -1.71 0.00 0.00 66.02 66.35 1uul s SER 77 CO 0.01 -1.27 2.15 -0.03 1.20 0.00 0.00 173.24 175.30 1uul h MET 78 N 2.09 0.00 -7.31 5.44 1.85 -1.79 -0.58 114.93 114.63 1uul h MET 78 Ca -0.22 0.00 -0.51 0.00 -0.61 0.00 0.00 59.70 58.36 1uul h MET 78 Cb 1.25 0.00 0.15 0.00 0.43 0.00 0.00 31.60 33.43 1uul h MET 78 CO 0.28 0.04 0.29 -0.51 -0.40 0.00 0.00 176.91 176.61 1uul s ASP 79 N -6.73 4.11 0.80 1.39 1.01 -1.26 -4.08 116.67 111.92 1uul s ASP 79 Ca -0.05 1.87 -0.12 0.00 0.71 0.00 0.00 52.55 54.96 1uul s ASP 79 Cb 0.16 -2.50 0.07 0.00 1.01 0.00 0.00 42.92 41.66 1uul s ASP 79 CO 0.63 -2.29 1.11 -0.94 0.21 0.00 0.00 175.17 173.89 1uul s SER 80 N -3.26 4.49 0.19 0.27 1.04 -1.26 -4.10 113.70 111.07 1uul s SER 80 Ca 0.62 1.18 -0.12 0.00 0.48 0.00 0.00 55.95 58.11 1uul s SER 80 Cb -0.18 -1.88 0.19 0.00 0.10 0.00 0.00 66.02 64.24 1uul s SER 80 CO 0.57 -1.96 1.75 1.05 0.98 0.00 0.00 173.24 175.62 1uul h GLU 81 N -1.08 0.34 -0.84 4.02 4.11 -1.93 -0.49 114.58 118.72 1uul h GLU 81 Ca -0.47 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 1uul h GLU 81 Cb 1.28 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1uul h GLU 81 CO 0.61 0.23 0.48 1.88 0.07 0.00 0.00 179.01 182.28 1uul h TYR 82 N 0.35 1.12 -0.40 2.06 -1.99 -1.99 0.11 116.97 116.23 1uul h TYR 82 Ca 0.25 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.97 1uul h TYR 82 Cb 0.27 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 1uul h TYR 82 CO -0.17 0.77 0.27 1.03 -0.00 0.00 0.00 178.16 180.06 1uul h SER 83 N 1.15 0.46 -0.09 3.88 0.87 -1.75 0.39 113.55 118.47 1uul h SER 83 Ca 0.30 -0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.88 1uul h SER 83 Cb -0.01 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 1uul h SER 83 CO -0.05 0.34 -0.19 0.45 -0.53 0.00 0.00 176.83 176.85 1uul h HIS 84 N 0.55 -0.49 -0.38 2.24 3.86 0.32 -0.65 115.15 120.59 1uul h HIS 84 Ca 0.15 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.45 1uul h HIS 84 Cb -0.06 0.23 -0.07 0.00 1.06 0.00 0.00 27.41 28.57 1uul h HIS 84 CO -0.05 -0.27 -0.06 1.25 0.86 0.00 0.00 177.93 179.66 1uul h LEU 85 N -0.26 -0.29 -0.37 2.43 5.85 -0.44 0.17 115.31 122.40 1uul h LEU 85 Ca 0.08 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1uul h LEU 85 Cb 0.38 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1uul h LEU 85 CO -0.24 -0.10 0.07 0.00 -0.34 0.00 0.00 178.44 177.83 1uul h ALA 86 N 1.36 0.39 -0.71 1.25 0.00 -0.41 0.70 119.26 121.84 1uul h ALA 86 Ca 0.18 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1uul h ALA 86 Cb 0.27 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1uul h ALA 86 CO -0.36 -0.33 0.43 2.35 0.00 0.00 0.00 179.25 181.34 1uul h TRP 87 N 0.20 0.92 0.00 0.00 7.01 0.55 0.15 115.95 124.78 1uul h TRP 87 Ca 0.17 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1uul h TRP 87 Cb 0.20 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.95 1uul h TRP 87 CO -0.19 0.61 0.00 -2.37 -2.79 0.00 0.00 178.44 173.70 1uul n THR 88 N -4.40 0.82 0.60 2.65 5.66 0.40 -2.48 114.28 117.53 1uul n THR 88 Ca 0.07 0.19 0.12 0.00 -3.05 0.00 0.00 64.05 61.38 1uul n THR 88 Cb 0.06 -1.10 0.17 0.00 -1.55 0.00 0.00 70.33 67.92 1uul n THR 88 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1uul n SER 89 N -2.17 0.67 -4.91 1.09 7.64 0.50 -3.11 113.62 113.33 1uul n SER 89 Ca 0.03 0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.69 1uul n SER 89 Cb 0.24 0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 1uul n SER 89 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1uul s ILE 90 N -3.16 5.20 0.30 0.44 -5.25 -1.04 -4.93 121.20 112.77 1uul s ILE 90 Ca 0.06 -0.17 -0.28 0.00 -0.99 0.00 0.00 60.65 59.27 1uul s ILE 90 Cb 0.14 -3.67 -0.09 0.00 2.95 0.00 0.00 42.46 41.78 1uul s ILE 90 CO 0.72 -0.05 1.03 -1.83 -1.79 0.00 0.00 174.94 173.02 1uul s GLU 91 N -2.94 4.59 0.27 0.37 -1.05 -1.26 -2.54 118.70 116.13 1uul s GLU 91 Ca 0.39 1.61 -0.05 0.00 -0.15 0.00 0.00 54.97 56.78 1uul s GLU 91 Cb -0.12 -3.03 0.52 0.00 -0.44 0.00 0.00 34.13 31.06 1uul s GLU 91 CO 0.27 0.22 1.60 0.00 0.95 0.00 0.00 175.26 178.30 1uul h ARG 92 N 3.55 0.04 0.00 -4.83 3.08 -1.85 0.29 114.38 114.67 1uul h ARG 92 Ca -0.47 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1uul h ARG 92 Cb 1.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1uul h ARG 92 CO 0.66 0.03 0.00 0.36 -1.07 0.00 0.00 179.97 179.95 1uul n LYS 93 N -5.46 0.02 -0.14 0.04 2.85 -1.26 0.02 118.16 114.23 1uul n LYS 93 Ca 0.16 0.34 0.08 0.00 -1.05 0.00 0.00 58.31 57.84 1uul n LYS 93 Cb 0.55 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.57 1uul n LYS 93 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1uul n ARG 94 N -1.36 1.96 -0.25 -1.58 0.00 0.97 -4.94 116.66 111.46 1uul n ARG 94 Ca 0.01 -2.42 0.00 0.00 -0.00 0.00 0.00 57.85 55.43 1uul n ARG 94 Cb 0.02 -1.47 0.00 0.00 -0.00 0.00 0.00 32.46 31.01 1uul n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uul n GLY 95 N -1.00 0.79 2.43 2.89 0.00 0.10 -4.96 105.19 105.43 1uul n GLY 95 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1uul n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uul n GLY 96 N -2.16 -0.76 0.09 -0.02 0.00 -0.78 -4.87 105.19 96.70 1uul n GLY 96 Ca 0.00 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 1uul n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uul n LEU 97 N 0.00 0.12 0.00 0.99 4.32 -1.04 -3.95 117.00 117.45 1uul n LEU 97 Ca 0.10 -0.01 0.10 0.00 -0.02 0.00 0.00 56.01 56.19 1uul n LEU 97 Cb 0.37 0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 42.54 1uul n LEU 97 CO 0.26 0.47 -0.14 0.61 -1.22 0.00 0.00 177.39 177.37 1uul n GLY 98 N 1.90 -1.64 3.63 -0.72 0.00 -1.05 -4.71 105.19 102.59 1uul n GLY 98 Ca -0.30 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 1uul n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uul n GLN 99 N -2.93 1.65 -4.55 1.61 1.13 -1.26 -4.74 117.38 108.29 1uul n GLN 99 Ca 0.01 0.58 -0.32 0.00 -1.94 0.00 0.00 57.00 55.33 1uul n GLN 99 Cb 0.34 -2.03 -0.11 0.00 0.11 0.00 0.00 30.24 28.54 1uul n GLN 99 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1uul s MET 100 N -1.61 2.36 0.00 -1.09 -1.94 -1.26 -5.01 119.30 110.74 1uul s MET 100 Ca 0.58 -0.83 0.18 0.00 -1.71 0.00 0.00 55.69 53.91 1uul s MET 100 Cb -0.65 -2.37 0.46 0.00 2.01 0.00 0.00 34.83 34.28 1uul s MET 100 CO 0.60 0.58 1.38 0.09 -0.01 0.00 0.00 175.02 177.66 1uul n ASN 101 N 1.56 3.41 -4.08 3.03 5.03 -1.26 -4.42 115.26 118.54 1uul n ASN 101 Ca -0.16 -1.97 -0.16 0.00 0.87 0.00 0.00 54.58 53.16 1uul n ASN 101 Cb 0.52 -0.34 -0.12 0.00 -1.02 0.00 0.00 39.78 38.82 1uul n ASN 101 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1uul s ILE 102 N -1.06 0.73 0.66 2.41 -4.36 -1.26 -4.88 121.20 113.44 1uul s ILE 102 Ca 0.36 -0.95 -0.15 0.00 -0.26 0.00 0.00 60.65 59.65 1uul s ILE 102 Cb 0.19 -0.72 -0.00 0.00 1.25 0.00 0.00 42.46 43.18 1uul s ILE 102 CO 0.26 -0.18 1.12 -2.84 0.24 0.00 0.00 174.94 173.53 1uul s PRO 103 N -1.25 2.78 -0.17 0.37 0.02 -1.26 -4.36 135.00 131.12 1uul s PRO 103 Ca -0.04 1.44 -0.02 0.00 0.02 0.00 0.00 61.00 62.40 1uul s PRO 103 Cb -0.08 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.55 1uul s PRO 103 CO 0.01 -1.28 0.00 0.42 -0.33 0.00 0.00 177.00 175.83 1uul s ILE 104 N -2.27 0.71 0.69 2.83 1.01 -0.83 -2.36 121.20 120.98 1uul s ILE 104 Ca 0.68 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.67 1uul s ILE 104 Cb -0.21 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.21 1uul s ILE 104 CO 0.41 -0.05 1.13 -0.76 0.00 0.00 0.00 174.94 175.67 1uul s LEU 105 N 1.79 3.33 -0.45 2.97 1.43 -0.17 -1.11 118.68 126.47 1uul s LEU 105 Ca 0.00 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 1uul s LEU 105 Cb -0.16 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.63 1uul s LEU 105 CO -0.07 -1.84 0.19 0.00 0.23 0.00 0.00 176.35 174.86 1uul s ALA 106 N -2.33 2.84 -1.14 4.21 0.00 -0.55 -2.81 121.76 121.97 1uul s ALA 106 Ca 0.68 -2.84 -0.10 0.00 0.00 0.00 0.00 51.96 49.69 1uul s ALA 106 Cb -0.22 -2.02 0.25 0.00 0.00 0.00 0.00 23.12 21.13 1uul s ALA 106 CO 0.44 -1.93 1.25 -0.40 0.00 0.00 0.00 175.76 175.12 1uul n ASP 107 N 3.59 5.51 0.19 0.00 5.75 -0.23 -4.61 116.55 126.76 1uul n ASP 107 Ca 0.05 -3.05 0.09 0.00 -0.01 0.00 0.00 54.79 51.87 1uul n ASP 107 Cb 0.36 -1.42 0.62 0.00 -1.03 0.00 0.00 41.12 39.64 1uul n ASP 107 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1uul h LYS 108 N 6.65 0.07 0.00 0.11 1.57 -1.80 0.31 116.57 123.48 1uul h LYS 108 Ca 0.22 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1uul h LYS 108 Cb 0.85 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1uul h LYS 108 CO 1.12 0.05 -0.23 1.79 -0.57 0.00 0.00 179.45 181.61 1uul h THR 109 N 0.07 0.42 -0.21 -0.16 1.35 -1.90 -3.47 112.91 109.01 1uul h THR 109 Ca 0.05 -1.44 -0.09 0.00 -0.55 0.00 0.00 66.41 64.38 1uul h THR 109 Cb 0.11 2.08 -0.04 0.00 -1.73 0.00 0.00 68.15 68.58 1uul h THR 109 CO -0.01 0.22 -0.08 0.29 -0.25 0.00 0.00 175.52 175.70 1uul n LYS 110 N -3.20 -0.68 -0.18 4.72 5.02 0.10 -4.92 118.16 119.02 1uul n LYS 110 Ca 0.02 0.51 -0.09 0.00 -2.02 0.00 0.00 58.31 56.73 1uul n LYS 110 Cb 0.57 -4.24 0.03 0.00 -0.02 0.00 0.00 35.03 31.38 1uul n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uul h ILE 112 N 0.92 0.96 -0.89 0.00 2.04 -1.91 -0.31 117.51 118.31 1uul h ILE 112 Ca 0.15 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1uul h ILE 112 Cb 0.64 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1uul h ILE 112 CO 0.04 0.11 0.58 0.00 0.00 0.00 0.00 178.15 178.89 1uul h MET 113 N -0.42 1.03 -0.37 2.37 -0.00 -1.93 -0.95 114.93 114.67 1uul h MET 113 Ca -0.02 -0.06 0.01 0.00 -0.00 0.00 0.00 59.70 59.62 1uul h MET 113 Cb 0.33 -0.23 -0.02 0.00 -0.00 0.00 0.00 31.60 31.68 1uul h MET 113 CO 0.03 0.68 0.24 0.87 -0.00 0.00 0.00 176.91 178.74 1uul h LYS 114 N 1.07 0.48 -0.97 -0.10 1.57 -1.10 -0.26 116.57 117.25 1uul h LYS 114 Ca 0.37 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.22 1uul h LYS 114 Cb 0.11 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.24 1uul h LYS 114 CO -0.12 0.32 0.62 0.77 -0.57 0.00 0.00 179.45 180.46 1uul h SER 115 N 0.49 0.92 -0.04 0.86 0.02 0.20 -0.62 113.55 115.37 1uul h SER 115 Ca 0.14 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1uul h SER 115 Cb -0.05 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1uul h SER 115 CO -0.03 0.52 0.00 -1.22 -1.14 0.00 0.00 176.83 174.96 1uul n TYR 116 N -4.57 0.04 -3.47 3.45 4.02 -0.52 -3.06 117.16 113.07 1uul n TYR 116 Ca 0.17 -0.02 -0.21 0.00 -0.01 0.00 0.00 57.90 57.83 1uul n TYR 116 Cb 0.31 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.70 1uul n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uul n GLY 117 N 1.14 -0.37 0.36 2.72 0.00 -0.17 -4.77 105.19 104.10 1uul n GLY 117 Ca 0.19 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.42 1uul n GLY 117 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uul n VAL 118 N -4.71 1.40 -2.76 1.61 0.24 -0.80 -4.72 118.33 108.58 1uul n VAL 118 Ca 0.01 -1.86 -0.41 0.00 -2.04 0.00 0.00 64.34 60.04 1uul n VAL 118 Cb 0.55 0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.89 1uul n VAL 118 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1uul s LEU 119 N -2.11 4.49 -0.51 1.34 0.20 -1.25 -0.61 118.68 120.24 1uul s LEU 119 Ca 0.26 1.75 -0.15 0.00 0.69 0.00 0.00 54.13 56.68 1uul s LEU 119 Cb 0.24 -3.55 0.11 0.00 -0.43 0.00 0.00 46.19 42.57 1uul s LEU 119 CO -0.01 -0.07 0.45 -1.59 -0.29 0.00 0.00 176.35 174.84 1uul s LYS 120 N 0.06 2.92 0.62 1.98 -2.85 0.42 -4.89 119.74 118.00 1uul s LYS 120 Ca 0.46 -1.61 0.33 0.00 -1.00 0.00 0.00 55.97 54.16 1uul s LYS 120 Cb -0.23 -4.20 1.82 0.00 -2.06 0.00 0.00 37.83 33.17 1uul s LYS 120 CO 0.29 -1.22 2.02 1.05 0.10 0.00 0.00 175.35 177.59 1uul h GLU 121 N 8.79 0.00 0.00 1.78 4.11 -1.95 0.31 114.58 127.62 1uul h GLU 121 Ca -0.28 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.01 1uul h GLU 121 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1uul h GLU 121 CO 0.97 0.00 -0.63 1.05 0.07 0.00 0.00 179.01 180.47 1uul h GLU 122 N 0.00 0.00 0.00 1.06 9.09 -1.96 -3.36 114.58 119.41 1uul h GLU 122 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1uul h GLU 122 Cb 0.38 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1uul h GLU 122 CO 0.00 0.63 -1.41 -0.25 0.05 0.00 0.00 179.01 178.03 1uul n ASP 123 N -3.38 2.98 0.00 3.06 8.00 -0.03 -5.01 116.55 122.16 1uul n ASP 123 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1uul n ASP 123 Cb 0.73 1.38 0.00 0.00 -0.02 0.00 0.00 41.12 43.21 1uul n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uul n GLY 124 N 2.02 0.68 3.49 0.44 0.00 -0.44 -5.05 105.19 106.32 1uul n GLY 124 Ca -0.02 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1uul n GLY 124 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uul s VAL 125 N -2.00 1.16 0.02 1.61 -7.23 -1.24 -4.87 120.40 107.85 1uul s VAL 125 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1uul s VAL 125 Cb 0.00 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1uul s VAL 125 CO 0.00 0.00 0.33 0.00 -0.31 0.00 0.00 175.10 175.12 1uul s ALA 126 N -3.22 3.78 0.96 1.32 0.00 -1.26 -0.43 121.76 122.91 1uul s ALA 126 Ca 0.33 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1uul s ALA 126 Cb 0.08 -2.18 0.17 0.00 0.00 0.00 0.00 23.12 21.18 1uul s ALA 126 CO 0.15 0.59 1.11 0.71 0.00 0.00 0.00 175.76 178.32 1uul s TYR 127 N -1.28 2.30 -1.10 0.00 4.12 0.22 -2.71 117.35 118.90 1uul s TYR 127 Ca 0.28 0.92 -0.18 0.00 0.02 0.00 0.00 57.07 58.10 1uul s TYR 127 Cb -0.14 -3.33 -0.06 0.00 -1.52 0.00 0.00 41.96 36.91 1uul s TYR 127 CO 0.15 -2.65 2.05 0.54 0.02 0.00 0.00 175.55 175.67 1uul n ARG 128 N -3.98 2.16 -3.20 -0.62 1.74 -0.95 -4.33 116.66 107.47 1uul n ARG 128 Ca 0.06 -2.25 -0.37 0.00 -0.77 0.00 0.00 57.85 54.52 1uul n ARG 128 Cb 0.58 -3.13 -0.06 0.00 -1.02 0.00 0.00 32.46 28.83 1uul n ARG 128 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1uul s GLY 129 N 4.24 2.61 -0.03 -0.13 0.00 -1.23 -1.48 107.32 111.30 1uul s GLY 129 Ca 0.53 0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.33 1uul s GLY 129 CO 0.03 0.43 -0.03 -2.27 0.00 0.00 0.00 173.10 171.26 1uul s LEU 130 N -1.70 1.49 0.02 0.66 0.20 0.29 -0.29 118.68 119.34 1uul s LEU 130 Ca 0.38 -0.08 0.03 0.00 0.69 0.00 0.00 54.13 55.16 1uul s LEU 130 Cb -0.17 -0.29 -0.01 0.00 -0.43 0.00 0.00 46.19 45.28 1uul s LEU 130 CO 0.20 -0.03 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.76 1uul s PHE 131 N 0.62 0.94 -0.36 5.38 0.40 0.44 -0.76 117.98 124.64 1uul s PHE 131 Ca -0.07 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1uul s PHE 131 Cb -0.10 -0.58 0.07 0.00 0.51 0.00 0.00 43.02 42.91 1uul s PHE 131 CO -0.01 -0.01 0.12 0.42 0.70 0.00 0.00 175.22 176.45 1uul s ILE 132 N -0.58 3.44 -0.04 0.64 1.01 -0.89 -0.86 121.20 123.91 1uul s ILE 132 Ca 0.01 -1.51 -0.09 0.00 0.00 0.00 0.00 60.65 59.06 1uul s ILE 132 Cb -0.06 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1uul s ILE 132 CO 0.00 -0.34 0.26 -0.63 0.00 0.00 0.00 174.94 174.23 1uul s ILE 133 N 1.28 5.31 0.55 2.92 -1.09 0.32 -1.02 121.20 129.47 1uul s ILE 133 Ca 0.01 0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 1uul s ILE 133 Cb -0.21 -3.54 0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1uul s ILE 133 CO -0.01 0.53 0.76 1.51 -1.23 0.00 0.00 174.94 176.50 1uul s ASP 134 N -1.26 5.20 0.64 3.58 1.47 -0.51 -0.72 116.67 125.07 1uul s ASP 134 Ca 0.21 -0.28 0.31 0.00 1.18 0.00 0.00 52.55 53.97 1uul s ASP 134 Cb -0.14 -0.53 1.70 0.00 -0.34 0.00 0.00 42.92 43.62 1uul s ASP 134 CO 0.10 -1.18 2.00 -0.65 0.68 0.00 0.00 175.17 176.12 1uul h PRO 135 N 0.14 0.00 -0.35 2.11 0.11 -1.77 0.59 132.00 132.83 1uul h PRO 135 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1uul h PRO 135 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1uul h PRO 135 CO 0.47 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.89 1uul n LYS 136 N -3.23 1.92 -2.25 1.05 5.02 -1.26 -1.85 118.16 117.57 1uul n LYS 136 Ca 0.00 -1.42 -0.13 0.00 -2.02 0.00 0.00 58.31 54.74 1uul n LYS 136 Cb 0.39 -1.35 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 1uul n LYS 136 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1uul n GLN 137 N 0.65 -1.03 -3.96 1.97 1.13 0.21 -4.98 117.38 111.37 1uul n GLN 137 Ca 0.15 0.62 -0.35 0.00 -1.94 0.00 0.00 57.00 55.47 1uul n GLN 137 Cb 0.35 -4.83 -0.06 0.00 0.11 0.00 0.00 30.24 25.81 1uul n GLN 137 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1uul s ASN 138 N -2.42 6.19 0.11 1.08 0.01 -1.25 -0.36 114.94 118.31 1uul s ASN 138 Ca 0.00 0.37 -0.30 0.00 -0.71 0.00 0.00 52.86 52.22 1uul s ASN 138 Cb -0.00 -1.95 -0.07 0.00 0.41 0.00 0.00 41.25 39.64 1uul s ASN 138 CO 0.00 0.35 1.22 -0.22 -1.51 0.00 0.00 177.10 176.95 1uul s LEU 139 N -1.32 4.40 0.00 0.60 2.96 -0.66 -1.43 118.68 123.24 1uul s LEU 139 Ca 0.19 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 1uul s LEU 139 Cb -0.12 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1uul s LEU 139 CO 0.09 -0.45 0.13 0.54 -1.32 0.00 0.00 176.35 175.34 1uul n ARG 140 N 3.40 1.73 -3.66 1.98 1.74 -0.18 -0.60 116.66 121.06 1uul n ARG 140 Ca 0.07 -0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 56.92 1uul n ARG 140 Cb 0.45 -0.52 -0.08 0.00 -1.02 0.00 0.00 32.46 31.29 1uul n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1uul s GLN 141 N -0.28 0.65 -0.05 5.56 2.00 -1.23 -4.96 119.66 121.34 1uul s GLN 141 Ca 0.00 1.01 0.06 0.00 -2.00 0.00 0.00 55.36 54.43 1uul s GLN 141 Cb 0.00 0.18 -0.01 0.00 0.80 0.00 0.00 33.01 33.98 1uul s GLN 141 CO 0.00 -0.13 -0.24 0.42 -0.50 0.00 0.00 175.29 174.84 1uul s ILE 142 N 1.15 1.95 -0.07 -2.34 1.01 -1.26 -2.10 121.20 119.54 1uul s ILE 142 Ca -0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 1uul s ILE 142 Cb -0.05 -1.65 0.04 0.00 0.01 0.00 0.00 42.46 40.80 1uul s ILE 142 CO -0.11 0.54 0.12 -0.89 0.00 0.00 0.00 174.94 174.60 1uul s THR 143 N -0.15 -0.19 -0.09 2.92 2.01 0.06 -4.99 115.64 115.20 1uul s THR 143 Ca -0.03 0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.33 1uul s THR 143 Cb -0.13 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.17 1uul s THR 143 CO 0.03 0.15 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.37 1uul s VAL 144 N 2.15 0.81 0.03 3.82 1.01 -1.26 0.10 120.40 127.06 1uul s VAL 144 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1uul s VAL 144 Cb -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1uul s VAL 144 CO -0.05 0.32 0.03 0.20 0.00 0.00 0.00 175.10 175.60 1uul s ASN 145 N 1.63 5.27 0.82 3.32 0.02 -0.55 -4.97 114.94 120.48 1uul s ASN 145 Ca 0.02 -0.02 -0.11 0.00 -1.02 0.00 0.00 52.86 51.73 1uul s ASN 145 Cb -0.13 -1.38 0.09 0.00 0.02 0.00 0.00 41.25 39.84 1uul s ASN 145 CO -0.06 0.24 1.13 -0.62 0.02 0.00 0.00 177.10 177.81 1uul s ASP 146 N -1.89 3.86 0.26 -1.22 2.15 -1.26 -2.23 116.67 116.34 1uul s ASP 146 Ca 0.23 2.07 -0.01 0.00 0.43 0.00 0.00 52.55 55.26 1uul s ASP 146 Cb -0.12 -2.55 0.56 0.00 -0.30 0.00 0.00 42.92 40.51 1uul s ASP 146 CO 0.15 -2.48 1.71 -0.07 -0.17 0.00 0.00 175.17 174.31 1uul h LEU 147 N -1.22 0.25 -0.51 -1.34 3.38 -1.97 -2.97 115.31 110.93 1uul h LEU 147 Ca -0.44 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1uul h LEU 147 Cb 1.26 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1uul h LEU 147 CO 0.47 0.04 0.00 -2.65 0.09 0.00 0.00 178.44 176.39 1uul n PRO 148 N -5.05 0.18 -4.87 1.13 -0.02 -1.26 -4.73 135.00 120.38 1uul n PRO 148 Ca 0.17 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 1uul n PRO 148 Cb 0.51 -1.82 -0.15 0.00 -0.02 0.00 0.00 33.50 32.03 1uul n PRO 148 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uul s VAL 149 N -3.24 2.84 0.68 -1.45 1.01 -1.12 -5.02 120.40 114.10 1uul s VAL 149 Ca 0.06 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1uul s VAL 149 Cb 0.10 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1uul s VAL 149 CO 0.41 0.53 1.04 -0.83 0.00 0.00 0.00 175.10 176.26 1uul s GLY 150 N 0.35 1.62 0.74 4.51 0.00 -1.26 -4.71 107.32 108.57 1uul s GLY 150 Ca -0.13 -0.50 -0.01 0.00 0.00 0.00 0.00 44.72 44.08 1uul s GLY 150 CO 0.06 -0.14 1.02 0.50 0.00 0.00 0.00 173.10 174.54 1uul s ARG 151 N -5.26 1.57 -0.23 2.90 0.52 -1.26 -5.08 118.95 112.11 1uul s ARG 151 Ca 0.57 -1.13 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 1uul s ARG 151 Cb -0.11 -2.31 0.04 0.00 0.52 0.00 0.00 34.95 33.10 1uul s ARG 151 CO 0.49 -1.54 -0.15 0.34 0.02 0.00 0.00 175.30 174.47 1uul s ASP 152 N -4.77 3.90 0.31 0.23 2.15 -1.26 -4.99 116.67 112.25 1uul s ASP 152 Ca 0.67 -1.08 -0.01 0.00 0.43 0.00 0.00 52.55 52.56 1uul s ASP 152 Cb -0.05 -1.52 0.49 0.00 -0.30 0.00 0.00 42.92 41.54 1uul s ASP 152 CO 0.45 -0.11 1.98 0.58 -0.17 0.00 0.00 175.17 177.90 1uul h VAL 153 N 6.42 1.20 -0.36 1.11 2.07 -1.97 -1.51 116.25 123.20 1uul h VAL 153 Ca -0.30 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1uul h VAL 153 Cb 1.08 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1uul h VAL 153 CO 0.54 0.19 0.06 0.44 0.02 0.00 0.00 177.57 178.82 1uul h ASP 154 N 1.06 0.49 0.11 0.57 3.32 -1.99 -1.53 116.42 118.45 1uul h ASP 154 Ca 0.29 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1uul h ASP 154 Cb -0.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1uul h ASP 154 CO -0.07 0.52 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.34 1uul h GLU 155 N 0.52 0.30 -0.44 3.56 4.39 -1.70 0.88 114.58 122.08 1uul h GLU 155 Ca 0.12 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1uul h GLU 155 Cb 0.25 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1uul h GLU 155 CO 0.00 0.58 -0.23 0.00 -1.16 0.00 0.00 179.01 178.20 1uul h ALA 156 N 1.42 0.76 -0.30 3.43 0.00 -1.03 -0.81 119.26 122.73 1uul h ALA 156 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1uul h ALA 156 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1uul h ALA 156 CO 0.05 0.66 0.09 1.25 0.00 0.00 0.00 179.25 181.30 1uul h LEU 157 N 0.78 0.43 -0.46 0.00 6.46 -0.88 -0.75 115.31 120.90 1uul h LEU 157 Ca 0.10 -0.20 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1uul h LEU 157 Cb 0.78 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 1uul h LEU 157 CO 0.06 0.52 0.22 -0.09 -0.62 0.00 0.00 178.44 178.54 1uul h ARG 158 N 0.32 0.42 -0.38 1.25 2.43 -0.71 -1.41 114.38 116.31 1uul h ARG 158 Ca 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1uul h ARG 158 Cb 0.24 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1uul h ARG 158 CO -0.00 0.28 0.17 -0.07 -1.51 0.00 0.00 179.97 178.83 1uul h LEU 159 N 0.44 0.51 -0.50 3.80 3.38 -0.70 0.53 115.31 122.77 1uul h LEU 159 Ca 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1uul h LEU 159 Cb 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1uul h LEU 159 CO -0.15 0.52 0.31 0.58 0.09 0.00 0.00 178.44 179.78 1uul h VAL 160 N 0.47 1.15 -0.62 1.22 2.07 -0.83 -0.68 116.25 119.03 1uul h VAL 160 Ca 0.13 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1uul h VAL 160 Cb 0.15 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1uul h VAL 160 CO -0.01 0.15 0.30 0.11 0.02 0.00 0.00 177.57 178.14 1uul h LYS 161 N 0.66 0.89 -0.66 1.57 1.57 -0.88 0.75 116.57 120.48 1uul h LYS 161 Ca 0.18 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1uul h LYS 161 Cb -0.03 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 1uul h LYS 161 CO -0.03 0.71 0.40 0.00 -0.57 0.00 0.00 179.45 179.95 1uul h ALA 162 N 1.13 0.86 -0.36 3.86 0.00 -0.36 0.22 119.26 124.61 1uul h ALA 162 Ca 0.21 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1uul h ALA 162 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1uul h ALA 162 CO -0.03 0.14 -0.19 0.74 0.00 0.00 0.00 179.25 179.91 1uul h PHE 163 N 0.77 0.77 -0.67 0.00 -1.00 -0.38 -0.55 116.94 115.87 1uul h PHE 163 Ca 0.27 -0.16 -0.06 0.00 2.81 0.00 0.00 57.97 60.83 1uul h PHE 163 Cb 0.06 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 1uul h PHE 163 CO -0.05 0.83 0.18 1.96 -1.61 0.00 0.00 178.31 179.62 1uul h GLN 164 N 0.61 1.05 -0.59 1.51 4.20 -0.21 -1.35 115.11 120.32 1uul h GLN 164 Ca 0.09 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1uul h GLN 164 Cb 0.66 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1uul h GLN 164 CO 0.05 0.92 0.02 0.35 -0.67 0.00 0.00 178.83 179.50 1uul h PHE 165 N 1.01 1.10 -0.27 2.96 3.04 0.29 -2.26 116.94 122.81 1uul h PHE 165 Ca 0.22 -0.17 -0.17 0.00 3.98 0.00 0.00 57.97 61.82 1uul h PHE 165 Cb 0.32 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 1uul h PHE 165 CO 0.02 0.96 -0.51 0.28 -2.02 0.00 0.00 178.31 177.04 1uul h VAL 166 N 0.94 1.29 0.00 1.41 2.07 -0.85 -2.50 116.25 118.60 1uul h VAL 166 Ca 0.17 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1uul h VAL 166 Cb 0.51 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1uul h VAL 166 CO 0.02 0.55 0.00 -0.08 0.02 0.00 0.00 177.57 178.09 1uul h GLU 167 N 0.60 0.00 0.00 1.57 4.22 -0.86 -2.25 114.58 117.86 1uul h GLU 167 Ca 0.02 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.24 1uul h GLU 167 Cb 1.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 1uul h GLU 167 CO 0.11 0.00 -2.07 1.17 -2.18 0.00 0.00 179.01 176.04 1uul n LYS 168 N -2.39 1.02 0.00 1.92 4.81 -0.88 -4.68 118.16 117.96 1uul n LYS 168 Ca 0.01 -0.06 0.02 0.00 -0.87 0.00 0.00 58.31 57.41 1uul n LYS 168 Cb 0.21 -1.44 -0.01 0.00 0.02 0.00 0.00 35.03 33.81 1uul n LYS 168 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1uul n HIS 169 N -2.49 0.00 -0.84 5.64 8.25 -0.97 -4.98 115.22 119.84 1uul n HIS 169 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1uul n HIS 169 Cb 0.89 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.00 1uul n HIS 169 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uul n GLY 170 N 0.90 0.55 3.93 -1.41 0.00 -0.85 -4.98 105.19 103.33 1uul n GLY 170 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1uul n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uul s GLU 171 N -0.46 3.52 -0.00 1.61 2.02 -1.26 -4.57 118.70 119.56 1uul s GLU 171 Ca 0.00 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.83 1uul s GLU 171 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 1uul s GLU 171 CO 0.00 0.09 0.04 0.08 0.02 0.00 0.00 175.26 175.49 1uul s VAL 172 N -2.37 4.44 -0.30 2.63 1.01 0.11 -4.41 120.40 121.52 1uul s VAL 172 Ca 0.42 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 1uul s VAL 172 Cb -0.10 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1uul s VAL 172 CO 0.37 0.36 0.49 0.00 0.00 0.00 0.00 175.10 176.32 1uul n PRO 174 N 5.59 -4.04 -2.06 0.00 -0.02 -1.26 -4.88 135.00 128.32 1uul n PRO 174 Ca -0.05 -1.17 -0.41 0.00 -2.02 0.00 0.00 63.50 59.85 1uul n PRO 174 Cb 0.50 -1.45 -0.02 0.00 -0.02 0.00 0.00 33.50 32.50 1uul n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uul s ALA 175 N -2.23 3.56 0.00 3.55 0.00 -1.26 -2.98 121.76 122.41 1uul s ALA 175 Ca 0.53 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1uul s ALA 175 Cb -0.09 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1uul s ALA 175 CO 0.44 -0.70 0.00 0.09 0.00 0.00 0.00 175.76 175.59 1uul n ASN 176 N 1.62 -4.35 -4.57 0.00 3.02 -1.26 -4.92 115.26 104.79 1uul n ASN 176 Ca 0.04 0.00 -0.53 0.00 -0.03 0.00 0.00 54.58 54.05 1uul n ASN 176 Cb 0.41 -2.04 -0.06 0.00 -0.61 0.00 0.00 39.78 37.47 1uul n ASN 176 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1uul n TRP 177 N -2.45 1.28 -4.21 3.10 -0.00 -1.16 -4.99 117.44 109.00 1uul n TRP 177 Ca 0.00 0.74 -0.20 0.00 -0.00 0.00 0.00 57.50 58.04 1uul n TRP 177 Cb 0.25 -2.27 -0.12 0.00 -0.00 0.00 0.00 31.31 29.17 1uul n TRP 177 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1uul s LYS 178 N 0.29 0.93 0.17 5.87 1.02 -1.26 -5.00 119.74 121.77 1uul s LYS 178 Ca 0.85 -1.06 -0.33 0.00 0.02 0.00 0.00 55.97 55.45 1uul s LYS 178 Cb -1.02 -0.99 -0.15 0.00 -0.52 0.00 0.00 37.83 35.15 1uul s LYS 178 CO 0.50 0.22 1.27 -2.30 -0.92 0.00 0.00 175.35 174.12 1uul n PRO 179 N 1.10 1.42 0.00 -1.68 -0.02 -1.26 -1.10 135.00 133.46 1uul n PRO 179 Ca -0.20 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1uul n PRO 179 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1uul n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uul n GLY 180 N 2.23 2.65 3.78 -1.23 0.00 -1.26 -5.07 105.19 106.29 1uul n GLY 180 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1uul n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uul s ASP 181 N -1.26 4.26 -0.17 1.61 1.01 -0.26 -4.98 116.67 116.88 1uul s ASP 181 Ca 0.00 1.44 -0.29 0.00 0.71 0.00 0.00 52.55 54.41 1uul s ASP 181 Cb 0.00 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1uul s ASP 181 CO 0.00 -2.14 1.24 -0.75 0.21 0.00 0.00 175.17 173.74 1uul s LYS 182 N -5.05 4.24 0.46 8.23 2.20 -1.26 -4.96 119.74 123.59 1uul s LYS 182 Ca 0.61 1.64 0.08 0.00 -0.36 0.00 0.00 55.97 57.94 1uul s LYS 182 Cb -0.16 -3.75 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1uul s LYS 182 CO 0.55 -0.70 0.50 0.95 -0.36 0.00 0.00 175.35 176.30 1uul s THR 183 N 3.46 2.58 0.29 3.43 -4.23 -1.26 -4.66 115.64 115.25 1uul s THR 183 Ca 0.54 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 1uul s THR 183 Cb -0.21 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1uul s THR 183 CO 0.14 0.00 0.14 0.00 -0.54 0.00 0.00 174.62 174.36 1uul s MET 184 N -4.30 1.53 -0.17 3.99 0.00 -1.01 -4.93 119.30 114.41 1uul s MET 184 Ca 0.51 -1.86 -0.09 0.00 0.00 0.00 0.00 55.69 54.25 1uul s MET 184 Cb -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 34.83 34.60 1uul s MET 184 CO 0.30 -0.41 0.15 0.15 0.00 0.00 0.00 175.02 175.22 1uul s LYS 185 N -3.89 3.97 0.00 3.16 1.02 -1.26 0.06 119.74 122.79 1uul s LYS 185 Ca 0.36 -0.16 -0.01 0.00 0.02 0.00 0.00 55.97 56.18 1uul s LYS 185 Cb 0.06 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.96 1uul s LYS 185 CO 0.16 0.44 1.32 -2.30 -0.92 0.00 0.00 175.35 174.06 1uul n PRO 186 N 3.04 0.61 -4.24 -1.68 -0.02 -1.26 -4.14 135.00 127.31 1uul n PRO 186 Ca -0.17 -0.23 -0.17 0.00 -2.02 0.00 0.00 63.50 60.92 1uul n PRO 186 Cb 0.53 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 1uul n PRO 186 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1uul s ASP 187 N 2.36 0.99 0.08 2.55 -1.08 -1.26 -5.07 116.67 115.23 1uul s ASP 187 Ca 0.15 -0.28 -0.24 0.00 -0.52 0.00 0.00 52.55 51.66 1uul s ASP 187 Cb 0.07 -0.07 -0.10 0.00 -1.46 0.00 0.00 42.92 41.37 1uul s ASP 187 CO 0.00 0.02 1.39 -0.65 0.52 0.00 0.00 175.17 176.45 1uul h PRO 188 N 5.47 -0.46 0.36 4.34 0.11 -1.99 -2.09 132.00 137.73 1uul h PRO 188 Ca -0.32 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1uul h PRO 188 Cb 1.19 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1uul h PRO 188 CO 0.47 -0.31 -0.21 0.93 -0.21 0.00 0.00 178.00 178.67 1uul h GLU 189 N -0.48 -0.51 0.00 1.05 4.39 -1.98 -2.96 114.58 114.09 1uul h GLU 189 Ca 0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1uul h GLU 189 Cb 0.52 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1uul h GLU 189 CO -0.26 -0.34 0.03 1.63 -1.16 0.00 0.00 179.01 178.91 1uul n LYS 190 N -3.59 0.00 0.00 2.33 5.02 -1.23 -0.30 118.16 120.39 1uul n LYS 190 Ca -0.06 0.13 0.11 0.00 -2.02 0.00 0.00 58.31 56.47 1uul n LYS 190 Cb 0.22 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 1uul n LYS 190 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1uul n SER 191 N -1.08 0.82 0.30 4.39 3.41 -0.79 -4.27 113.62 116.41 1uul n SER 191 Ca 0.00 -0.74 0.17 0.00 -0.26 0.00 0.00 58.87 58.04 1uul n SER 191 Cb 0.03 0.80 0.94 0.00 -0.26 0.00 0.00 64.21 65.71 1uul n SER 191 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1uul h LYS 192 N 0.00 0.00 0.00 4.33 1.79 -0.73 -1.02 116.57 120.94 1uul h LYS 192 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1uul h LYS 192 Cb 0.52 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1uul h LYS 192 CO 0.00 0.03 -0.17 0.93 -1.08 0.00 0.00 179.45 179.16 1uul h GLU 193 N 0.00 0.00 0.17 3.15 5.08 -1.77 -2.65 114.58 118.56 1uul h GLU 193 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1uul h GLU 193 Cb 0.14 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.41 1uul h GLU 193 CO 0.00 0.17 -1.32 -0.92 -1.00 0.00 0.00 179.01 175.95 1uul h TYR 194 N 0.00 0.75 0.00 4.33 3.20 -1.47 -3.31 116.97 120.47 1uul h TYR 194 Ca -0.00 -0.53 -0.01 0.00 3.14 0.00 0.00 58.73 61.33 1uul h TYR 194 Cb 0.69 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1uul h TYR 194 CO 0.00 1.40 -0.05 0.74 -1.64 0.00 0.00 178.16 178.62 1uul h PHE 195 N 0.13 0.00 -0.13 -3.82 0.04 -1.46 -3.24 116.94 108.46 1uul h PHE 195 Ca -0.18 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.01 1uul h PHE 195 Cb 2.02 0.00 0.02 0.00 2.20 0.00 0.00 35.95 40.19 1uul h PHE 195 CO 0.09 0.05 2.03 0.41 -0.60 0.00 0.00 178.31 180.29 1uul n GLY 196 N 0.36 2.25 0.00 -1.45 0.00 -1.02 -5.13 105.19 100.20 1uul n GLY 196 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32