#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 -3.42 1.61 2.13 -1.17 -4.38 120.64 115.41 1uul n GLU 5 Ca 0.00 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.38 1uul n GLU 5 Cb 0.00 -0.87 -0.08 0.00 0.27 0.00 0.00 31.44 30.76 1uul n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1uul s ALA 6 N 0.07 3.52 0.07 4.31 0.00 -1.15 -4.70 121.76 123.88 1uul s ALA 6 Ca 0.00 -2.06 0.06 0.00 0.00 0.00 0.00 51.96 49.96 1uul s ALA 6 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1uul s ALA 6 CO 0.00 -1.68 -0.11 -1.21 0.00 0.00 0.00 175.76 172.76 1uul s GLU 7 N 1.63 2.20 0.32 0.00 2.02 -1.26 -5.02 118.70 118.58 1uul s GLU 7 Ca 0.04 -0.96 -0.29 0.00 0.02 0.00 0.00 54.97 53.78 1uul s GLU 7 Cb -0.23 -2.32 -0.10 0.00 0.10 0.00 0.00 34.13 31.58 1uul s GLU 7 CO 0.07 0.53 1.23 -0.51 0.02 0.00 0.00 175.26 176.59 1uul s ASP 8 N -1.92 6.91 -1.01 -0.19 1.01 -1.26 -2.81 116.67 117.38 1uul s ASP 8 Ca 0.19 2.52 0.00 0.00 0.71 0.00 0.00 52.55 55.98 1uul s ASP 8 Cb -0.11 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1uul s ASP 8 CO 0.11 -0.42 0.00 0.18 0.21 0.00 0.00 175.17 175.25 1uul n LEU 9 N 0.85 -0.92 -4.30 1.23 7.99 0.18 -4.96 117.00 117.06 1uul n LEU 9 Ca 0.00 0.18 -0.23 0.00 -0.01 0.00 0.00 56.01 55.95 1uul n LEU 9 Cb 0.43 -1.65 -0.12 0.00 -0.11 0.00 0.00 43.42 41.97 1uul n LEU 9 CO 0.57 -0.41 -0.50 -1.00 -1.51 0.00 0.00 177.39 174.53 1uul s HIS 10 N -2.41 1.80 0.08 -1.77 3.76 -1.12 -4.91 115.29 110.71 1uul s HIS 10 Ca 0.00 -0.44 -0.36 0.00 -0.15 0.00 0.00 55.06 54.11 1uul s HIS 10 Cb 0.00 -0.95 -0.16 0.00 1.11 0.00 0.00 32.58 32.58 1uul s HIS 10 CO 0.00 0.25 1.44 -0.35 -0.85 0.00 0.00 174.74 175.23 1uul n PRO 11 N 0.77 1.43 -1.84 8.40 -0.04 -1.26 -1.66 135.00 140.79 1uul n PRO 11 Ca -0.17 0.52 -0.38 0.00 -0.04 0.00 0.00 63.50 63.43 1uul n PRO 11 Cb 0.55 -2.20 0.04 0.00 -0.04 0.00 0.00 33.50 31.85 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 0.86 2.80 0.12 0.55 0.00 0.57 -4.77 121.76 121.89 1uul s ALA 12 Ca 0.84 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 53.76 1uul s ALA 12 Cb -0.88 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 18.59 1uul s ALA 12 CO 0.46 -1.30 1.83 -2.14 0.00 0.00 0.00 175.76 174.61 1uul s PRO 13 N -2.93 4.14 0.21 0.00 0.02 -1.26 -4.92 135.00 130.25 1uul s PRO 13 Ca 0.72 2.59 -0.30 0.00 0.02 0.00 0.00 61.00 64.03 1uul s PRO 13 Cb -0.38 -3.58 -0.09 0.00 0.02 0.00 0.00 34.50 30.46 1uul s PRO 13 CO 0.45 -0.84 1.27 0.34 -0.33 0.00 0.00 177.00 177.89 1uul s ASP 14 N 2.69 6.96 0.19 2.53 2.15 -1.26 -5.03 116.67 124.90 1uul s ASP 14 Ca 0.81 2.36 0.05 0.00 0.43 0.00 0.00 52.55 56.20 1uul s ASP 14 Cb -0.46 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.50 1uul s ASP 14 CO 0.36 -0.47 -0.08 0.72 -0.17 0.00 0.00 175.17 175.53 1uul s PHE 15 N -0.07 1.51 -0.44 -5.34 -0.12 -1.26 -5.01 117.98 107.24 1uul s PHE 15 Ca 0.54 -0.75 0.05 0.00 -0.05 0.00 0.00 56.93 56.73 1uul s PHE 15 Cb -0.35 -0.79 0.19 0.00 -0.63 0.00 0.00 43.02 41.44 1uul s PHE 15 CO 0.39 0.14 0.72 1.21 -0.05 0.00 0.00 175.22 177.63 1uul s ASN 16 N -3.26 -1.34 0.24 1.98 2.47 -1.26 -1.78 114.94 111.98 1uul s ASN 16 Ca 0.22 -1.04 0.04 0.00 0.42 0.00 0.00 52.86 52.50 1uul s ASN 16 Cb 0.03 1.73 -0.05 0.00 -1.45 0.00 0.00 41.25 41.50 1uul s ASN 16 CO 0.05 -0.11 -0.02 -1.61 -3.72 0.00 0.00 177.10 171.69 1uul s GLU 17 N 1.47 1.37 0.37 0.43 0.41 -0.89 -4.86 118.70 117.01 1uul s GLU 17 Ca 0.21 -1.69 -0.28 0.00 -0.41 0.00 0.00 54.97 52.81 1uul s GLU 17 Cb -0.01 -0.75 -0.10 0.00 -1.78 0.00 0.00 34.13 31.49 1uul s GLU 17 CO -0.07 -0.05 1.35 0.99 -0.49 0.00 0.00 175.26 176.98 1uul s THR 18 N -3.31 2.52 0.04 3.63 2.01 -1.26 -0.54 115.64 118.73 1uul s THR 18 Ca 0.28 0.50 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 1uul s THR 18 Cb 0.05 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 1uul s THR 18 CO 0.09 0.11 0.00 0.00 -0.69 0.00 0.00 174.62 174.13 1uul s ALA 19 N -1.17 0.27 -0.36 7.40 0.00 0.35 -1.61 121.76 126.63 1uul s ALA 19 Ca 0.52 -0.90 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1uul s ALA 19 Cb -0.41 0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1uul s ALA 19 CO 0.54 -0.31 0.78 -1.17 0.00 0.00 0.00 175.76 175.60 1uul s LEU 20 N -2.38 4.13 0.56 0.00 2.96 -0.44 -2.22 118.68 121.28 1uul s LEU 20 Ca -0.01 0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 54.18 1uul s LEU 20 Cb 0.01 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 1uul s LEU 20 CO -0.07 -0.73 0.92 -0.04 -1.32 0.00 0.00 176.35 175.11 1uul s MET 21 N 3.09 3.52 0.31 1.98 -1.94 -0.01 -1.77 119.30 124.49 1uul s MET 21 Ca 0.31 0.46 0.08 0.00 -1.71 0.00 0.00 55.69 54.83 1uul s MET 21 Cb -0.13 -2.22 0.82 0.00 2.01 0.00 0.00 34.83 35.31 1uul s MET 21 CO 0.17 -0.43 1.75 -1.35 -0.01 0.00 0.00 175.02 175.15 1uul h PRO 22 N -0.08 0.63 0.00 2.03 0.11 -1.78 0.49 132.00 133.39 1uul h PRO 22 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1uul h PRO 22 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1uul h PRO 22 CO 0.62 0.42 0.00 0.27 -0.21 0.00 0.00 178.00 179.10 1uul n ASN 23 N -4.84 0.00 0.00 -2.05 6.94 -1.26 -4.61 115.26 109.44 1uul n ASN 23 Ca 0.25 0.21 0.00 0.00 -0.02 0.00 0.00 54.58 55.02 1uul n ASN 23 Cb 0.67 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 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 0.12 0.63 3.97 4.83 0.00 0.16 -5.09 105.19 109.82 1uul n GLY 24 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.12 2.14 -0.21 2.61 -4.23 -1.26 -4.81 115.64 107.76 1uul s THR 25 Ca 0.00 -0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 1uul s THR 25 Cb 0.00 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.16 1uul s THR 25 CO 0.00 0.00 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.62 1uul s PHE 26 N -3.29 2.93 0.02 3.99 0.08 -1.26 -0.83 117.98 119.61 1uul s PHE 26 Ca 0.67 -1.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.33 1uul s PHE 26 Cb -0.06 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1uul s PHE 26 CO 0.46 -0.69 0.04 0.21 -0.10 0.00 0.00 175.22 175.14 1uul s LYS 27 N 1.37 0.42 0.15 0.44 2.20 -0.94 -4.94 119.74 118.44 1uul s LYS 27 Ca 0.04 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 1uul s LYS 27 Cb -0.14 0.16 -0.07 0.00 -1.51 0.00 0.00 37.83 36.27 1uul s LYS 27 CO -0.07 -0.09 1.04 0.15 -0.36 0.00 0.00 175.35 176.03 1uul s LYS 28 N -1.70 4.64 -0.10 4.03 -0.14 -1.26 -0.50 119.74 124.71 1uul s LYS 28 Ca -0.13 1.61 0.03 0.00 -1.36 0.00 0.00 55.97 56.12 1uul s LYS 28 Cb -0.07 -3.32 -0.00 0.00 -1.68 0.00 0.00 37.83 32.76 1uul s LYS 28 CO -0.01 0.14 -0.22 0.08 -0.76 0.00 0.00 175.35 174.58 1uul s VAL 29 N -0.16 2.29 -0.02 3.17 1.01 0.30 -4.91 120.40 122.08 1uul s VAL 29 Ca 0.48 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1uul s VAL 29 Cb -0.27 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1uul s VAL 29 CO 0.33 0.55 -0.26 0.00 0.00 0.00 0.00 175.10 175.72 1uul s ALA 30 N 0.31 2.14 0.29 5.51 0.00 -1.26 -2.09 121.76 126.66 1uul s ALA 30 Ca -0.16 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.72 1uul s ALA 30 Cb -0.17 -0.54 0.70 0.00 0.00 0.00 0.00 23.12 23.10 1uul s ALA 30 CO 0.08 0.52 1.76 1.25 0.00 0.00 0.00 175.76 179.37 1uul h LEU 31 N 5.46 0.65 -2.46 0.00 5.85 -1.75 -0.49 115.31 122.58 1uul h LEU 31 Ca -0.43 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.42 1uul h LEU 31 Cb 1.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1uul h LEU 31 CO 0.47 0.21 0.11 0.71 -0.34 0.00 0.00 178.44 179.60 1uul h THR 32 N 0.66 0.32 0.00 1.05 1.35 -1.96 -0.62 112.91 113.71 1uul h THR 32 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.41 1uul h THR 32 Cb 0.89 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1uul h THR 32 CO -0.41 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 175.14 1uul h SER 33 N 0.00 0.00 -0.21 5.36 0.02 -1.49 -1.13 113.55 116.11 1uul h SER 33 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1uul h SER 33 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 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 -2.43 0.25 -1.65 3.45 4.02 -0.24 -4.93 117.16 115.63 1uul n TYR 34 Ca 0.00 -0.12 -0.49 0.00 -0.01 0.00 0.00 57.90 57.28 1uul n TYR 34 Cb 0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.42 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 1.28 1.79 0.00 -0.72 4.81 -0.43 -0.49 118.16 124.40 1uul n LYS 35 Ca 0.17 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1uul n LYS 35 Cb 0.57 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.24 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 3.31 3.31 3.69 3.14 0.00 -0.69 -5.06 105.19 112.89 1uul n GLY 36 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.87 2.23 0.20 1.61 -0.14 0.36 -4.78 119.74 118.34 1uul s LYS 37 Ca 0.00 -1.68 -0.19 0.00 -1.36 0.00 0.00 55.97 52.74 1uul s LYS 37 Cb 0.00 -2.04 -0.08 0.00 -1.68 0.00 0.00 37.83 34.03 1uul s LYS 37 CO 0.00 0.09 0.68 -1.58 -0.76 0.00 0.00 175.35 173.78 1uul s TRP 38 N -2.49 3.66 -0.01 3.18 0.52 -0.35 -2.73 118.94 120.72 1uul s TRP 38 Ca 0.37 1.33 0.03 0.00 0.02 0.00 0.00 56.10 57.85 1uul s TRP 38 Cb -0.00 -2.57 -0.01 0.00 -1.15 0.00 0.00 33.47 29.74 1uul s TRP 38 CO 0.21 0.38 -0.12 -1.17 0.02 0.00 0.00 176.95 176.27 1uul s LEU 39 N -1.89 1.97 -0.36 2.99 2.96 -0.19 0.68 118.68 124.84 1uul s LEU 39 Ca 0.41 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 54.05 1uul s LEU 39 Cb -0.17 -0.62 0.07 0.00 0.50 0.00 0.00 46.19 45.97 1uul s LEU 39 CO 0.21 0.13 0.14 -0.69 -1.32 0.00 0.00 176.35 174.82 1uul s VAL 40 N -0.17 3.56 -0.22 1.68 1.01 0.02 -0.44 120.40 125.84 1uul s VAL 40 Ca 0.03 -1.48 -0.14 0.00 0.00 0.00 0.00 61.98 60.38 1uul s VAL 40 Cb -0.06 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1uul s VAL 40 CO -0.00 -0.36 0.32 -0.22 0.00 0.00 0.00 175.10 174.84 1uul s LEU 41 N 1.30 4.13 -0.03 3.92 2.96 -0.39 -0.96 118.68 129.61 1uul s LEU 41 Ca 0.01 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 1uul s LEU 41 Cb -0.21 -2.38 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 1uul s LEU 41 CO -0.00 -0.05 -0.12 0.72 -1.32 0.00 0.00 176.35 175.57 1uul s PHE 42 N 1.35 1.22 0.14 5.38 -0.71 -0.29 -0.55 117.98 124.52 1uul s PHE 42 Ca 0.15 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.74 1uul s PHE 42 Cb -0.15 -0.83 -0.04 0.00 -1.21 0.00 0.00 43.02 40.79 1uul s PHE 42 CO 0.07 -0.09 0.30 -0.06 -1.34 0.00 0.00 175.22 174.10 1uul s PHE 43 N 0.01 3.49 0.01 3.49 0.40 0.71 -1.19 117.98 124.89 1uul s PHE 43 Ca -0.01 0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 56.50 1uul s PHE 43 Cb -0.08 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1uul s PHE 43 CO 0.01 0.49 0.17 1.52 0.70 0.00 0.00 175.22 178.11 1uul s TYR 44 N -1.70 0.02 -0.00 0.36 -0.85 -0.77 -3.60 117.35 110.81 1uul s TYR 44 Ca 0.36 -0.10 -0.24 0.00 -0.52 0.00 0.00 57.07 56.57 1uul s TYR 44 Cb -0.12 -0.03 -0.16 0.00 0.38 0.00 0.00 41.96 42.03 1uul s TYR 44 CO 0.28 -0.32 1.15 -1.35 -1.52 0.00 0.00 175.55 173.79 1uul h PRO 45 N 4.09 -0.39 -2.87 -3.49 0.11 -1.79 -3.41 132.00 124.25 1uul h PRO 45 Ca -0.31 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.69 1uul h PRO 45 Cb 1.19 0.09 -0.24 0.00 0.11 0.00 0.00 31.00 32.14 1uul h PRO 45 CO 0.42 -0.05 -0.30 -1.64 -0.21 0.00 0.00 178.00 176.22 1uul s MET 46 N -4.42 0.42 0.75 1.05 -1.94 -1.26 -4.31 119.30 109.59 1uul s MET 46 Ca -0.14 0.48 -0.14 0.00 -1.71 0.00 0.00 55.69 54.19 1uul s MET 46 Cb 0.02 0.21 0.05 0.00 2.01 0.00 0.00 34.83 37.11 1uul s MET 46 CO 0.52 -0.05 1.17 -0.51 -0.01 0.00 0.00 175.02 176.13 1uul s ASP 47 N 0.15 4.21 -1.45 3.03 1.01 -1.26 -3.46 116.67 118.91 1uul s ASP 47 Ca -0.00 2.20 0.00 0.00 0.71 0.00 0.00 52.55 55.46 1uul s ASP 47 Cb -0.03 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1uul s ASP 47 CO 0.01 -2.24 0.00 0.49 0.21 0.00 0.00 175.17 173.63 1uul n PHE 48 N -2.97 -0.17 -0.37 4.23 3.72 -1.26 -5.00 117.46 115.64 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 -2.66 0.00 0.00 -0.94 0.00 0.00 39.48 36.39 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 -2.93 0.00 0.03 4.37 -2.24 -1.22 -5.13 114.28 107.15 1uul n THR 49 Ca -0.15 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 1uul n THR 49 Cb 0.51 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.00 -0.10 4.78 3.72 -1.26 -4.58 117.46 120.02 1uul n PHE 50 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1uul n PHE 50 Cb 0.00 -0.03 0.15 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.06 1.25 -0.64 -4.37 2.07 -1.95 -3.32 116.25 109.24 1uul h VAL 51 Ca 0.00 -1.07 0.12 0.00 0.82 0.00 0.00 66.70 66.57 1uul h VAL 51 Cb 0.06 0.96 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 1uul h VAL 51 CO 0.00 0.37 0.16 0.00 0.02 0.00 0.00 177.57 178.12 1uul h PRO 53 N 0.30 0.51 -0.75 0.00 0.11 -1.81 0.50 132.00 130.85 1uul h PRO 53 Ca 0.34 -0.08 0.10 0.00 0.11 0.00 0.00 66.00 66.47 1uul h PRO 53 Cb 0.51 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.48 1uul h PRO 53 CO -0.41 0.47 0.49 1.79 -0.21 0.00 0.00 178.00 180.13 1uul h THR 54 N 0.43 0.92 0.08 -1.15 1.35 -1.64 0.50 112.91 113.41 1uul h THR 54 Ca 0.12 -0.22 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1uul h THR 54 Cb 0.13 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 66.77 1uul h THR 54 CO -0.01 0.12 -0.04 -0.33 -0.25 0.00 0.00 175.52 175.01 1uul h GLU 55 N 0.64 -0.10 -0.39 4.72 5.08 -1.19 -1.96 114.58 121.39 1uul h GLU 55 Ca 0.35 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 1uul h GLU 55 Cb 0.50 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1uul h GLU 55 CO -0.13 0.43 0.15 0.82 -1.00 0.00 0.00 179.01 179.28 1uul h ILE 56 N -0.91 0.91 0.22 3.13 2.04 -0.61 -1.48 117.51 120.80 1uul h ILE 56 Ca -0.01 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1uul h ILE 56 Cb 0.57 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1uul h ILE 56 CO 0.02 0.06 -0.10 0.00 0.00 0.00 0.00 178.15 178.12 1uul h GLN 58 N -0.30 -0.10 -0.96 0.00 1.08 -1.09 0.40 115.11 114.15 1uul h GLN 58 Ca -0.03 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.27 1uul h GLN 58 Cb 0.23 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 1uul h GLN 58 CO 0.05 -0.07 0.60 0.74 -0.95 0.00 0.00 178.83 179.20 1uul h PHE 59 N -0.10 1.10 -0.29 2.96 0.04 -0.85 -1.48 116.94 118.31 1uul h PHE 59 Ca 0.25 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.90 1uul h PHE 59 Cb 0.49 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1uul h PHE 59 CO -0.53 0.51 -0.42 1.03 -0.60 0.00 0.00 178.31 178.30 1uul h SER 60 N 1.03 0.77 0.15 2.17 0.87 -0.01 -2.05 113.55 116.48 1uul h SER 60 Ca 0.44 -0.36 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 1uul h SER 60 Cb 0.31 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1uul h SER 60 CO -0.22 1.09 -0.40 0.44 -0.53 0.00 0.00 176.83 177.21 1uul h ASP 61 N 0.59 0.35 -0.45 6.23 3.32 0.69 -3.09 116.42 124.05 1uul h ASP 61 Ca 0.04 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1uul h ASP 61 Cb 0.96 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1uul h ASP 61 CO 0.09 0.71 0.00 0.54 -1.72 0.00 0.00 179.24 178.86 1uul n ARG 62 N -4.03 4.10 -0.36 3.56 1.74 -0.70 -4.65 116.66 116.31 1uul n ARG 62 Ca -0.01 -3.03 -0.08 0.00 -0.77 0.00 0.00 57.85 53.95 1uul n ARG 62 Cb 0.48 -2.09 -0.06 0.00 -1.02 0.00 0.00 32.46 29.77 1uul n ARG 62 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1uul n VAL 63 N 0.19 -0.57 -0.28 1.55 0.31 -0.78 -1.36 118.33 117.39 1uul n VAL 63 Ca 0.25 2.12 0.16 0.00 -0.01 0.00 0.00 64.34 66.87 1uul n VAL 63 Cb 1.07 -2.65 0.44 0.00 -0.91 0.00 0.00 33.84 31.78 1uul n VAL 63 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1uul h LYS 64 N 0.00 0.53 -0.07 5.55 6.56 -1.87 0.28 116.57 127.55 1uul h LYS 64 Ca 0.17 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.74 1uul h LYS 64 Cb 0.39 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1uul h LYS 64 CO -0.84 0.35 0.05 0.93 -2.06 0.00 0.00 179.45 177.88 1uul h GLU 65 N 0.55 0.05 0.15 3.15 5.08 -1.58 0.60 114.58 122.59 1uul h GLU 65 Ca 0.50 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.52 1uul h GLU 65 Cb 1.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1uul h GLU 65 CO -0.24 0.04 -1.68 0.74 -1.00 0.00 0.00 179.01 176.87 1uul h PHE 66 N 0.05 0.59 -0.19 4.33 0.04 -0.54 -3.37 116.94 117.86 1uul h PHE 66 Ca 0.03 -0.43 -0.16 0.00 2.80 0.00 0.00 57.97 60.20 1uul h PHE 66 Cb 0.05 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1uul h PHE 66 CO -0.00 1.56 -0.56 1.03 -0.60 0.00 0.00 178.31 179.74 1uul h SER 67 N 0.09 0.64 -0.00 2.17 0.87 -0.17 -0.89 113.55 116.26 1uul h SER 67 Ca -0.31 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 1uul h SER 67 Cb 2.07 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.84 1uul h SER 67 CO 0.17 1.07 0.00 0.44 -0.53 0.00 0.00 176.83 177.98 1uul h ASP 68 N 0.44 0.00 -0.38 6.23 3.32 0.01 -1.56 116.42 124.48 1uul h ASP 68 Ca 0.01 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1uul h ASP 68 Cb 1.11 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 1uul h ASP 68 CO 0.11 0.00 0.04 2.30 -1.72 0.00 0.00 179.24 179.96 1uul n ILE 69 N -3.94 2.49 -1.43 0.35 -6.64 -0.92 -4.94 119.36 104.32 1uul n ILE 69 Ca -0.03 -1.97 0.00 0.00 -1.77 0.00 0.00 62.75 58.98 1uul n ILE 69 Cb 0.09 -0.29 0.00 0.00 -1.44 0.00 0.00 39.64 38.00 1uul n ILE 69 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1uul n GLY 70 N -0.50 0.63 2.99 3.28 0.00 -0.59 -4.95 105.19 106.05 1uul n GLY 70 Ca 0.27 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 0.66 3.50 0.04 0.00 0.41 0.21 -2.97 118.70 120.56 1uul s GLU 72 Ca -0.12 -0.36 0.05 0.00 -0.41 0.00 0.00 54.97 54.13 1uul s GLU 72 Cb -0.14 -2.74 -0.02 0.00 -1.78 0.00 0.00 34.13 29.45 1uul s GLU 72 CO 0.02 0.26 -0.16 0.14 -0.49 0.00 0.00 175.26 175.03 1uul s VAL 73 N -2.14 1.24 -0.05 2.63 -7.23 -1.26 -0.80 120.40 112.79 1uul s VAL 73 Ca 0.39 -1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1uul s VAL 73 Cb -0.10 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.77 1uul s VAL 73 CO 0.33 0.06 0.09 -0.22 -0.31 0.00 0.00 175.10 175.05 1uul s LEU 74 N -1.11 0.64 0.34 1.32 2.96 -0.13 -4.45 118.68 118.24 1uul s LEU 74 Ca 0.03 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1uul s LEU 74 Cb -0.08 0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.71 1uul s LEU 74 CO 0.01 -0.17 0.52 0.00 -1.32 0.00 0.00 176.35 175.39 1uul s ALA 75 N 1.45 3.83 -0.16 5.97 0.00 -1.04 -1.14 121.76 130.67 1uul s ALA 75 Ca -0.05 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.61 1uul s ALA 75 Cb -0.12 -1.98 0.06 0.00 0.00 0.00 0.00 23.12 21.08 1uul s ALA 75 CO -0.04 -0.03 0.58 0.00 0.00 0.00 0.00 175.76 176.27 1uul s SER 77 N -0.24 -0.29 0.43 0.00 0.15 -1.10 -1.84 113.70 110.81 1uul s SER 77 Ca -0.04 -0.50 0.15 0.00 0.70 0.00 0.00 55.95 56.25 1uul s SER 77 Cb -0.03 0.69 0.95 0.00 -1.71 0.00 0.00 66.02 65.92 1uul s SER 77 CO 0.03 -1.25 1.95 -0.03 1.20 0.00 0.00 173.24 175.15 1uul h MET 78 N 2.00 0.00 -7.28 5.44 4.05 -1.78 0.80 114.93 118.16 1uul h MET 78 Ca -0.21 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.69 1uul h MET 78 Cb 1.26 0.00 0.13 0.00 -0.80 0.00 0.00 31.60 32.18 1uul h MET 78 CO 0.25 0.23 0.33 -0.51 0.23 0.00 0.00 176.91 177.44 1uul s ASP 79 N -6.93 4.60 0.78 1.39 1.01 -1.26 -4.10 116.67 112.16 1uul s ASP 79 Ca -0.04 1.90 -0.11 0.00 0.71 0.00 0.00 52.55 55.01 1uul s ASP 79 Cb 0.15 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.61 1uul s ASP 79 CO 0.70 -1.97 1.09 -0.94 0.21 0.00 0.00 175.17 174.25 1uul s SER 80 N -3.10 4.59 0.26 0.27 1.04 -1.26 -4.15 113.70 111.35 1uul s SER 80 Ca 0.63 1.44 -0.03 0.00 0.48 0.00 0.00 55.95 58.47 1uul s SER 80 Cb -0.19 -2.20 0.41 0.00 0.10 0.00 0.00 66.02 64.15 1uul s SER 80 CO 0.52 -1.92 1.84 1.05 0.98 0.00 0.00 173.24 175.71 1uul h GLU 81 N -1.05 0.95 -0.56 4.02 4.11 -1.93 -0.64 114.58 119.47 1uul h GLU 81 Ca -0.46 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 58.84 1uul h GLU 81 Cb 1.25 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1uul h GLU 81 CO 0.58 0.63 0.08 1.88 0.07 0.00 0.00 179.01 182.24 1uul h TYR 82 N 0.97 1.01 -0.43 2.06 -1.99 -1.99 0.15 116.97 116.76 1uul h TYR 82 Ca 0.42 -0.14 0.01 0.00 2.00 0.00 0.00 58.73 61.02 1uul h TYR 82 Cb 0.29 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 38.72 1uul h TYR 82 CO -0.03 0.89 0.26 1.03 -0.00 0.00 0.00 178.16 180.31 1uul h SER 83 N 0.84 0.43 0.18 3.88 0.87 -1.77 0.21 113.55 118.18 1uul h SER 83 Ca 0.17 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1uul h SER 83 Cb 0.43 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1uul h SER 83 CO 0.01 0.31 -0.29 0.45 -0.53 0.00 0.00 176.83 176.78 1uul h HIS 84 N 0.53 -0.79 -0.57 2.24 3.86 0.04 -0.34 115.15 120.13 1uul h HIS 84 Ca 0.17 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.50 1uul h HIS 84 Cb -0.01 0.32 -0.10 0.00 1.06 0.00 0.00 27.41 28.69 1uul h HIS 84 CO -0.06 -0.41 -0.03 1.25 0.86 0.00 0.00 177.93 179.54 1uul h LEU 85 N -0.55 -0.31 -0.32 2.43 5.85 -0.34 0.11 115.31 122.19 1uul h LEU 85 Ca 0.02 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1uul h LEU 85 Cb 0.55 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1uul h LEU 85 CO -0.13 -0.12 0.11 0.00 -0.34 0.00 0.00 178.44 177.96 1uul h ALA 86 N 1.52 0.36 -0.56 1.25 0.00 0.12 0.13 119.26 122.09 1uul h ALA 86 Ca 0.29 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1uul h ALA 86 Cb 0.45 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1uul h ALA 86 CO -0.50 -0.29 0.37 2.35 0.00 0.00 0.00 179.25 181.18 1uul h TRP 87 N 0.24 0.56 0.00 0.00 7.01 0.23 0.12 115.95 124.13 1uul h TRP 87 Ca 0.14 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1uul h TRP 87 Cb 0.11 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1uul h TRP 87 CO -0.14 0.31 -0.11 0.00 -2.79 0.00 0.00 178.44 175.72 1uul h THR 88 N 0.57 0.29 0.00 2.65 1.03 0.17 -2.56 112.91 115.07 1uul h THR 88 Ca 0.24 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 1uul h THR 88 Cb 0.21 1.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 1uul h THR 88 CO -0.07 0.11 -0.40 -1.20 -0.01 0.00 0.00 175.52 173.95 1uul n SER 89 N -3.27 0.50 -4.89 0.00 7.64 0.42 -2.90 113.62 111.12 1uul n SER 89 Ca 0.00 0.09 -0.33 0.00 1.01 0.00 0.00 58.87 59.64 1uul n SER 89 Cb 0.35 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.49 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 -3.06 5.17 0.33 0.44 -5.25 -1.07 -4.93 121.20 112.83 1uul s ILE 90 Ca 0.10 0.15 -0.27 0.00 -0.99 0.00 0.00 60.65 59.64 1uul s ILE 90 Cb 0.16 -3.62 -0.09 0.00 2.95 0.00 0.00 42.46 41.86 1uul s ILE 90 CO 0.66 0.14 1.09 -1.61 -1.79 0.00 0.00 174.94 173.44 1uul s GLU 91 N -2.36 4.42 0.27 0.37 0.41 -1.26 -2.44 118.70 118.11 1uul s GLU 91 Ca 0.37 1.71 -0.04 0.00 -0.41 0.00 0.00 54.97 56.60 1uul s GLU 91 Cb -0.13 -2.91 0.56 0.00 -1.78 0.00 0.00 34.13 29.87 1uul s GLU 91 CO 0.22 0.04 1.60 -0.09 -0.49 0.00 0.00 175.26 176.54 1uul h ARG 92 N 3.24 0.05 0.00 1.61 2.43 -1.84 0.32 114.38 120.19 1uul h ARG 92 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1uul h ARG 92 Cb 1.22 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1uul h ARG 92 CO 0.65 0.04 0.00 0.36 -1.51 0.00 0.00 179.97 179.50 1uul n LYS 93 N -5.44 0.06 -0.12 0.20 2.85 -1.26 -0.40 118.16 114.04 1uul n LYS 93 Ca 0.17 0.27 0.09 0.00 -1.05 0.00 0.00 58.31 57.79 1uul n LYS 93 Cb 0.58 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.61 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 -1.31 1.73 -0.45 -1.58 1.85 1.00 -4.94 116.66 112.97 1uul n ARG 94 Ca 0.02 -2.51 0.00 0.00 -1.00 0.00 0.00 57.85 54.36 1uul n ARG 94 Cb 0.04 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.95 1uul n ARG 94 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1uul n GLY 95 N -1.17 0.77 1.97 2.89 0.00 0.46 -4.95 105.19 105.16 1uul n GLY 95 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.37 -0.66 0.09 -0.02 0.00 -0.49 -4.87 105.19 96.88 1uul n GLY 96 Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 0.33 0.00 0.99 4.32 -0.99 -3.97 117.00 117.68 1uul n LEU 97 Ca 0.08 -0.01 0.09 0.00 -0.02 0.00 0.00 56.01 56.15 1uul n LEU 97 Cb 0.30 0.32 -0.02 0.00 -1.62 0.00 0.00 43.42 42.39 1uul n LEU 97 CO 0.21 0.51 -0.12 0.61 -1.22 0.00 0.00 177.39 177.38 1uul n GLY 98 N 1.91 -1.55 3.65 -0.72 0.00 -1.02 -4.70 105.19 102.75 1uul n GLY 98 Ca -0.32 -1.14 -0.45 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.75 1.81 -4.27 1.61 1.13 -1.26 -4.75 117.38 108.91 1uul n GLN 99 Ca 0.00 0.64 -0.31 0.00 -1.94 0.00 0.00 57.00 55.39 1uul n GLN 99 Cb 0.29 -2.23 -0.09 0.00 0.11 0.00 0.00 30.24 28.31 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 -0.66 2.58 0.00 -1.09 -1.94 -1.26 -5.02 119.30 111.91 1uul s MET 100 Ca 0.67 -0.76 0.17 0.00 -1.71 0.00 0.00 55.69 54.06 1uul s MET 100 Cb -0.68 -2.54 0.42 0.00 2.01 0.00 0.00 34.83 34.03 1uul s MET 100 CO 0.52 0.58 1.34 0.09 -0.01 0.00 0.00 175.02 177.54 1uul n ASN 101 N 1.07 3.30 -4.09 3.03 5.03 -1.26 -4.47 115.26 117.86 1uul n ASN 101 Ca -0.13 -1.95 -0.23 0.00 0.87 0.00 0.00 54.58 53.13 1uul n ASN 101 Cb 0.52 -0.30 -0.16 0.00 -1.02 0.00 0.00 39.78 38.83 1uul n ASN 101 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1uul s ILE 102 N -1.10 1.16 0.71 2.41 1.09 -1.26 -4.88 121.20 119.32 1uul s ILE 102 Ca 0.34 -0.59 -0.13 0.00 -1.10 0.00 0.00 60.65 59.17 1uul s ILE 102 Cb 0.19 -0.99 0.03 0.00 -1.06 0.00 0.00 42.46 40.62 1uul s ILE 102 CO 0.25 0.34 1.11 -2.84 -0.10 0.00 0.00 174.94 173.69 1uul s PRO 103 N -0.06 2.51 -0.20 2.79 0.02 -1.26 -4.33 135.00 134.46 1uul s PRO 103 Ca -0.00 1.34 -0.03 0.00 0.02 0.00 0.00 61.00 62.32 1uul s PRO 103 Cb -0.09 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.58 1uul s PRO 103 CO 0.01 -1.47 0.05 0.42 -0.33 0.00 0.00 177.00 175.68 1uul s ILE 104 N -2.53 0.41 0.63 2.83 1.01 -0.73 -2.50 121.20 120.32 1uul s ILE 104 Ca 0.65 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 1uul s ILE 104 Cb -0.20 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1uul s ILE 104 CO 0.47 -0.29 1.20 -0.76 0.00 0.00 0.00 174.94 175.57 1uul s LEU 105 N 1.90 3.56 -0.44 2.97 1.43 -0.09 -1.33 118.68 126.67 1uul s LEU 105 Ca 0.01 2.36 0.04 0.00 -1.03 0.00 0.00 54.13 55.51 1uul s LEU 105 Cb -0.17 -4.59 0.12 0.00 0.03 0.00 0.00 46.19 41.57 1uul s LEU 105 CO -0.11 -1.77 0.17 0.00 0.23 0.00 0.00 176.35 174.87 1uul s ALA 106 N -1.73 3.10 -1.05 4.21 0.00 -0.63 -2.72 121.76 122.94 1uul s ALA 106 Ca 0.76 -2.94 -0.11 0.00 0.00 0.00 0.00 51.96 49.67 1uul s ALA 106 Cb -0.30 -2.07 0.25 0.00 0.00 0.00 0.00 23.12 21.00 1uul s ALA 106 CO 0.37 -1.88 1.06 0.16 0.00 0.00 0.00 175.76 175.47 1uul s ASP 107 N 0.23 7.16 0.52 0.00 -4.77 0.27 -4.61 116.67 115.47 1uul s ASP 107 Ca 0.14 -3.29 0.25 0.00 -3.30 0.00 0.00 52.55 46.35 1uul s ASP 107 Cb -0.23 -2.23 1.44 0.00 -1.09 0.00 0.00 42.92 40.81 1uul s ASP 107 CO -0.04 -0.42 2.11 0.11 0.70 0.00 0.00 175.17 177.64 1uul h LYS 108 N 7.03 0.00 0.00 2.11 1.57 -1.82 -0.13 116.57 125.32 1uul h LYS 108 Ca 0.17 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1uul h LYS 108 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1uul h LYS 108 CO 0.98 0.10 -0.49 1.79 -0.57 0.00 0.00 179.45 181.25 1uul h THR 109 N 0.00 0.53 -0.00 -0.16 1.35 -1.90 -3.47 112.91 109.26 1uul h THR 109 Ca -0.00 -1.78 -0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1uul h THR 109 Cb 0.23 2.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1uul h THR 109 CO 0.01 0.30 -0.00 0.29 -0.25 0.00 0.00 175.52 175.88 1uul n LYS 110 N -3.12 -0.68 -0.20 4.72 5.02 -0.06 -4.91 118.16 118.93 1uul n LYS 110 Ca 0.01 0.17 -0.02 0.00 -2.02 0.00 0.00 58.31 56.46 1uul n LYS 110 Cb 0.68 -3.69 0.09 0.00 -0.02 0.00 0.00 35.03 32.09 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 0.52 0.90 -0.48 0.00 2.04 -1.91 -0.82 117.51 117.75 1uul h ILE 112 Ca 0.28 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1uul h ILE 112 Cb 0.24 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1uul h ILE 112 CO -0.22 0.13 0.32 0.24 0.00 0.00 0.00 178.15 178.62 1uul h MET 113 N -0.55 0.64 -0.45 2.37 2.86 -1.92 -0.10 114.93 117.77 1uul h MET 113 Ca -0.03 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1uul h MET 113 Cb 0.41 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1uul h MET 113 CO 0.04 0.42 0.29 0.87 1.06 0.00 0.00 176.91 179.60 1uul h LYS 114 N 0.65 0.58 -0.76 1.72 1.57 -1.04 -1.14 116.57 118.15 1uul h LYS 114 Ca 0.18 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1uul h LYS 114 Cb -0.07 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 1uul h LYS 114 CO -0.04 0.38 0.50 0.77 -0.57 0.00 0.00 179.45 180.50 1uul h SER 115 N 0.60 0.79 -0.11 0.86 0.02 0.44 -1.14 113.55 115.00 1uul h SER 115 Ca 0.17 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1uul h SER 115 Cb -0.05 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1uul h SER 115 CO -0.05 0.53 0.00 -1.22 -1.14 0.00 0.00 176.83 174.96 1uul n TYR 116 N -4.46 0.13 -2.79 3.45 4.02 -0.67 -2.93 117.16 113.92 1uul n TYR 116 Ca 0.10 -0.07 -0.17 0.00 -0.01 0.00 0.00 57.90 57.75 1uul n TYR 116 Cb 0.14 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.49 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 1.19 -0.27 0.21 2.72 0.00 -0.43 -4.78 105.19 103.82 1uul n GLY 117 Ca 0.17 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.22 1.69 -2.78 1.61 0.24 -0.77 -4.74 118.33 109.35 1uul n VAL 118 Ca -0.10 -2.11 -0.40 0.00 -2.04 0.00 0.00 64.34 59.68 1uul n VAL 118 Cb 0.60 -0.14 -0.05 0.00 -1.47 0.00 0.00 33.84 32.78 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 -2.55 4.58 -0.58 1.34 0.20 -1.24 -0.63 118.68 119.79 1uul s LEU 119 Ca 0.29 1.84 -0.13 0.00 0.69 0.00 0.00 54.13 56.83 1uul s LEU 119 Cb 0.26 -3.55 0.15 0.00 -0.43 0.00 0.00 46.19 42.62 1uul s LEU 119 CO 0.01 0.08 0.50 -1.59 -0.29 0.00 0.00 176.35 175.06 1uul s LYS 120 N -0.72 2.93 0.45 1.98 -2.85 0.12 -4.88 119.74 116.77 1uul s LYS 120 Ca 0.42 -1.94 0.24 0.00 -1.00 0.00 0.00 55.97 53.70 1uul s LYS 120 Cb -0.25 -4.17 1.26 0.00 -2.06 0.00 0.00 37.83 32.61 1uul s LYS 120 CO 0.30 -1.27 1.79 0.93 0.10 0.00 0.00 175.35 177.20 1uul h GLU 121 N 8.40 0.25 0.00 1.78 4.39 -1.95 0.23 114.58 127.67 1uul h GLU 121 Ca -0.17 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 1uul h GLU 121 Cb 1.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1uul h GLU 121 CO 0.90 0.16 -0.25 1.05 -1.16 0.00 0.00 179.01 179.71 1uul h GLU 122 N 0.26 0.00 0.00 2.33 4.11 -1.96 -3.32 114.58 116.00 1uul h GLU 122 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 1uul h GLU 122 Cb 1.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1uul h GLU 122 CO -0.20 0.25 -1.14 -0.25 0.07 0.00 0.00 179.01 177.74 1uul n ASP 123 N -4.05 3.54 0.00 3.06 8.00 -0.09 -5.01 116.55 122.00 1uul n ASP 123 Ca -0.02 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1uul n ASP 123 Cb 0.32 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 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 2.12 0.71 3.45 0.44 0.00 -0.29 -5.05 105.19 106.57 1uul n GLY 124 Ca -0.01 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 1.12 0.01 1.61 -7.23 -1.24 -4.90 120.40 107.77 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 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1uul s VAL 125 CO 0.00 0.00 0.32 0.00 -0.31 0.00 0.00 175.10 175.11 1uul s ALA 126 N -3.30 3.79 0.96 1.32 0.00 -1.26 0.11 121.76 123.38 1uul s ALA 126 Ca 0.35 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 1uul s ALA 126 Cb 0.08 -2.17 0.17 0.00 0.00 0.00 0.00 23.12 21.19 1uul s ALA 126 CO 0.15 0.59 1.16 0.71 0.00 0.00 0.00 175.76 178.37 1uul s TYR 127 N -1.26 2.12 -1.25 0.00 1.51 0.20 -2.77 117.35 115.88 1uul s TYR 127 Ca 0.27 0.73 -0.17 0.00 -1.01 0.00 0.00 57.07 56.89 1uul s TYR 127 Cb -0.14 -3.50 -0.01 0.00 -0.11 0.00 0.00 41.96 38.20 1uul s TYR 127 CO 0.15 -2.60 2.07 0.54 -1.11 0.00 0.00 175.55 174.60 1uul n ARG 128 N -3.89 2.50 -3.17 -0.62 1.74 -0.91 -4.29 116.66 108.01 1uul n ARG 128 Ca 0.09 -2.50 -0.39 0.00 -0.77 0.00 0.00 57.85 54.28 1uul n ARG 128 Cb 0.59 -3.25 -0.06 0.00 -1.02 0.00 0.00 32.46 28.72 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 3.97 2.75 -0.02 -0.13 0.00 -1.24 -1.76 107.32 110.89 1uul s GLY 129 Ca 0.52 0.15 0.01 0.00 0.00 0.00 0.00 44.72 45.39 1uul s GLY 129 CO -0.00 0.59 -0.02 -2.27 0.00 0.00 0.00 173.10 171.41 1uul s LEU 130 N -1.16 1.51 0.01 0.66 0.20 0.28 -0.21 118.68 119.97 1uul s LEU 130 Ca 0.32 -0.05 0.03 0.00 0.69 0.00 0.00 54.13 55.12 1uul s LEU 130 Cb -0.21 -0.22 -0.01 0.00 -0.43 0.00 0.00 46.19 45.32 1uul s LEU 130 CO 0.21 -0.04 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.77 1uul s PHE 131 N 0.58 0.95 -0.34 5.38 0.40 0.29 -0.45 117.98 124.78 1uul s PHE 131 Ca -0.06 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1uul s PHE 131 Cb -0.09 -0.59 0.06 0.00 0.51 0.00 0.00 43.02 42.91 1uul s PHE 131 CO -0.01 -0.01 0.08 0.42 0.70 0.00 0.00 175.22 176.41 1uul s ILE 132 N -0.54 3.35 0.05 0.64 1.01 -0.81 -1.26 121.20 123.63 1uul s ILE 132 Ca 0.02 -1.44 -0.15 0.00 0.00 0.00 0.00 60.65 59.08 1uul s ILE 132 Cb -0.06 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 1uul s ILE 132 CO 0.00 -0.26 0.47 -0.63 0.00 0.00 0.00 174.94 174.52 1uul s ILE 133 N 1.28 4.94 0.50 2.92 -1.09 0.42 -0.91 121.20 129.27 1uul s ILE 133 Ca -0.01 0.87 0.06 0.00 -2.23 0.00 0.00 60.65 59.34 1uul s ILE 133 Cb -0.20 -3.75 0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1uul s ILE 133 CO -0.00 0.48 0.69 1.51 -1.23 0.00 0.00 174.94 176.39 1uul s ASP 134 N -1.28 5.38 0.58 3.58 1.47 -0.50 -1.02 116.67 124.87 1uul s ASP 134 Ca 0.28 -0.39 0.29 0.00 1.18 0.00 0.00 52.55 53.91 1uul s ASP 134 Cb -0.17 -0.50 1.49 0.00 -0.34 0.00 0.00 42.92 43.40 1uul s ASP 134 CO 0.16 -1.03 1.92 -0.65 0.68 0.00 0.00 175.17 176.25 1uul h PRO 135 N 0.34 0.00 -0.36 2.11 0.11 -1.82 0.73 132.00 133.11 1uul h PRO 135 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1uul h PRO 135 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1uul h PRO 135 CO 0.46 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.88 1uul n LYS 136 N -3.80 1.87 -1.97 1.05 5.02 -1.26 -1.71 118.16 117.37 1uul n LYS 136 Ca 0.09 -1.35 -0.11 0.00 -2.02 0.00 0.00 58.31 54.91 1uul n LYS 136 Cb 0.66 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.35 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 0.60 -0.88 -4.02 1.97 1.13 0.25 -4.97 117.38 111.46 1uul n GLN 137 Ca 0.13 0.65 -0.29 0.00 -1.94 0.00 0.00 57.00 55.56 1uul n GLN 137 Cb 0.32 -4.74 -0.05 0.00 0.11 0.00 0.00 30.24 25.88 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 -2.59 5.79 -0.02 1.08 0.01 -1.25 -0.31 114.94 117.65 1uul s ASN 138 Ca 0.00 0.03 -0.30 0.00 -0.71 0.00 0.00 52.86 51.88 1uul s ASN 138 Cb 0.00 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 40.01 1uul s ASN 138 CO 0.00 0.12 1.12 -0.22 -1.51 0.00 0.00 177.10 176.61 1uul s LEU 139 N -2.76 4.32 0.00 0.60 2.96 -0.66 -1.42 118.68 121.72 1uul s LEU 139 Ca 0.32 1.79 0.00 0.00 -0.22 0.00 0.00 54.13 56.01 1uul s LEU 139 Cb -0.11 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1uul s LEU 139 CO 0.24 -0.45 0.23 0.54 -1.32 0.00 0.00 176.35 175.59 1uul n ARG 140 N 4.50 1.36 -3.67 1.98 1.74 -0.08 -0.64 116.66 121.85 1uul n ARG 140 Ca 0.09 -0.23 -0.10 0.00 -0.77 0.00 0.00 57.85 56.85 1uul n ARG 140 Cb 0.48 -0.67 -0.09 0.00 -1.02 0.00 0.00 32.46 31.16 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 -0.26 0.58 -0.06 5.56 2.00 -1.23 -4.96 119.66 121.30 1uul s GLN 141 Ca 0.00 0.98 0.06 0.00 -2.00 0.00 0.00 55.36 54.40 1uul s GLN 141 Cb 0.00 0.11 -0.01 0.00 0.80 0.00 0.00 33.01 33.91 1uul s GLN 141 CO 0.00 -0.14 -0.24 0.42 -0.50 0.00 0.00 175.29 174.83 1uul s ILE 142 N 1.30 1.94 -0.10 -2.34 1.01 -1.26 -1.93 121.20 119.81 1uul s ILE 142 Ca -0.08 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 1uul s ILE 142 Cb -0.06 -1.64 0.05 0.00 0.01 0.00 0.00 42.46 40.82 1uul s ILE 142 CO -0.13 0.54 0.19 -0.89 0.00 0.00 0.00 174.94 174.64 1uul s THR 143 N -0.11 -0.30 -0.07 2.92 2.01 0.40 -4.99 115.64 115.50 1uul s THR 143 Ca -0.04 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1uul s THR 143 Cb -0.13 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.05 1uul s THR 143 CO 0.04 0.12 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.35 1uul s VAL 144 N 2.32 0.70 -0.00 3.82 1.01 -1.26 0.10 120.40 127.09 1uul s VAL 144 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1uul s VAL 144 Cb -0.12 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1uul s VAL 144 CO -0.07 0.29 0.02 0.20 0.00 0.00 0.00 175.10 175.54 1uul s ASN 145 N 1.43 5.23 0.93 3.32 0.02 -0.72 -4.96 114.94 120.18 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 -1.39 0.15 0.00 0.02 0.00 0.00 41.25 39.89 1uul s ASN 145 CO -0.03 0.28 1.11 -0.62 0.02 0.00 0.00 177.10 177.85 1uul s ASP 146 N -1.59 2.97 0.39 -1.22 2.15 -1.26 -2.15 116.67 115.96 1uul s ASP 146 Ca 0.20 1.92 0.07 0.00 0.43 0.00 0.00 52.55 55.17 1uul s ASP 146 Cb -0.12 -2.46 0.83 0.00 -0.30 0.00 0.00 42.92 40.87 1uul s ASP 146 CO 0.11 -3.03 2.01 -0.07 -0.17 0.00 0.00 175.17 174.02 1uul h LEU 147 N -1.82 0.54 -0.16 -1.34 3.38 -1.97 -3.05 115.31 110.90 1uul h LEU 147 Ca -0.47 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1uul h LEU 147 Cb 1.27 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1uul h LEU 147 CO 0.47 0.37 0.00 -2.65 0.09 0.00 0.00 178.44 176.71 1uul n PRO 148 N -4.47 0.11 -5.01 1.13 -0.02 -1.26 -4.74 135.00 120.75 1uul n PRO 148 Ca 0.07 0.21 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 1uul n PRO 148 Cb 0.17 -1.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.82 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 -3.10 2.39 0.68 -1.45 1.01 -1.15 -5.01 120.40 113.77 1uul s VAL 149 Ca 0.09 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1uul s VAL 149 Cb 0.13 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1uul s VAL 149 CO 0.45 0.55 1.06 -0.83 0.00 0.00 0.00 175.10 176.33 1uul s GLY 150 N 0.41 1.63 0.83 4.51 0.00 -1.26 -4.71 107.32 108.72 1uul s GLY 150 Ca -0.15 -0.35 -0.07 0.00 0.00 0.00 0.00 44.72 44.15 1uul s GLY 150 CO 0.07 -0.01 1.14 0.50 0.00 0.00 0.00 173.10 174.80 1uul s ARG 151 N -5.28 1.18 -0.24 2.90 0.52 -1.26 -5.08 118.95 111.69 1uul s ARG 151 Ca 0.57 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1uul s ARG 151 Cb -0.11 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.28 1uul s ARG 151 CO 0.51 -1.90 -0.12 0.34 0.02 0.00 0.00 175.30 174.15 1uul s ASP 152 N -4.83 4.04 0.41 0.23 2.15 -1.26 -4.99 116.67 112.43 1uul s ASP 152 Ca 0.70 -1.19 0.10 0.00 0.43 0.00 0.00 52.55 52.60 1uul s ASP 152 Cb -0.04 -1.47 0.93 0.00 -0.30 0.00 0.00 42.92 42.04 1uul s ASP 152 CO 0.48 -0.15 2.00 0.58 -0.17 0.00 0.00 175.17 177.91 1uul h VAL 153 N 6.57 0.98 -0.07 1.11 2.07 -1.97 -1.27 116.25 123.67 1uul h VAL 153 Ca -0.25 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 1uul h VAL 153 Cb 1.07 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1uul h VAL 153 CO 0.49 0.09 -0.36 0.44 0.02 0.00 0.00 177.57 178.26 1uul h ASP 154 N 0.51 0.14 0.36 0.57 3.32 -1.99 -2.15 116.42 117.18 1uul h ASP 154 Ca 0.24 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 1uul h ASP 154 Cb 0.30 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1uul h ASP 154 CO -0.07 0.50 -0.68 -0.08 -1.72 0.00 0.00 179.24 177.19 1uul h GLU 155 N 0.12 0.28 -0.84 3.56 4.57 -1.66 0.12 114.58 120.73 1uul h GLU 155 Ca 0.01 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1uul h GLU 155 Cb 0.70 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 1uul h GLU 155 CO 0.05 0.86 0.43 0.00 -1.18 0.00 0.00 179.01 179.17 1uul h ALA 156 N 1.08 1.17 -0.19 2.92 0.00 -1.18 -0.42 119.26 122.65 1uul h ALA 156 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1uul h ALA 156 Cb 1.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1uul h ALA 156 CO 0.11 0.65 0.01 1.25 0.00 0.00 0.00 179.25 181.26 1uul h LEU 157 N 1.19 0.32 -0.46 0.00 6.46 -0.80 -0.71 115.31 121.30 1uul h LEU 157 Ca 0.29 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1uul h LEU 157 Cb 0.08 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1uul h LEU 157 CO -0.04 0.53 0.29 -0.09 -0.62 0.00 0.00 178.44 178.51 1uul h ARG 158 N 0.09 0.57 -0.56 1.25 2.43 -0.58 -1.81 114.38 115.77 1uul h ARG 158 Ca 0.05 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1uul h ARG 158 Cb 0.37 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1uul h ARG 158 CO 0.01 0.38 0.17 -0.07 -1.51 0.00 0.00 179.97 178.95 1uul h LEU 159 N 0.59 0.83 -0.29 3.80 3.38 -0.61 0.79 115.31 123.80 1uul h LEU 159 Ca 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1uul h LEU 159 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1uul h LEU 159 CO -0.06 0.82 0.18 0.58 0.09 0.00 0.00 178.44 180.05 1uul h VAL 160 N 0.79 1.10 -0.96 1.22 2.07 -0.81 -0.48 116.25 119.18 1uul h VAL 160 Ca 0.18 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1uul h VAL 160 Cb 0.29 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1uul h VAL 160 CO -0.00 0.09 0.63 0.11 0.02 0.00 0.00 177.57 178.42 1uul h LYS 161 N 0.37 1.22 -0.30 1.57 1.57 -0.85 0.21 116.57 120.35 1uul h LYS 161 Ca 0.10 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1uul h LYS 161 Cb 0.00 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 1uul h LYS 161 CO -0.02 0.80 0.18 0.00 -0.57 0.00 0.00 179.45 179.84 1uul h ALA 162 N 1.38 0.39 -0.21 3.86 0.00 -0.08 0.17 119.26 124.76 1uul h ALA 162 Ca 0.37 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1uul h ALA 162 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1uul h ALA 162 CO -0.10 -0.11 -0.28 0.74 0.00 0.00 0.00 179.25 179.50 1uul h PHE 163 N 0.39 0.47 -0.63 0.00 -1.00 -0.24 -0.49 116.94 115.43 1uul h PHE 163 Ca 0.11 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1uul h PHE 163 Cb 0.02 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.44 1uul h PHE 163 CO -0.04 0.66 0.14 1.96 -1.61 0.00 0.00 178.31 179.42 1uul h GLN 164 N 0.36 0.99 -0.40 1.51 4.20 0.25 -1.53 115.11 120.49 1uul h GLN 164 Ca 0.05 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 1uul h GLN 164 Cb 0.69 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1uul h GLN 164 CO 0.05 0.89 -0.17 0.35 -0.67 0.00 0.00 178.83 179.28 1uul h PHE 165 N 0.94 0.85 -0.20 2.96 3.04 0.19 -2.70 116.94 122.02 1uul h PHE 165 Ca 0.20 -0.18 -0.20 0.00 3.98 0.00 0.00 57.97 61.78 1uul h PHE 165 Cb 0.36 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1uul h PHE 165 CO 0.02 0.88 -0.65 0.28 -2.02 0.00 0.00 178.31 176.83 1uul h VAL 166 N 0.68 1.29 0.00 1.41 2.07 -0.77 -2.55 116.25 118.38 1uul h VAL 166 Ca 0.10 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1uul h VAL 166 Cb 0.66 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1uul h VAL 166 CO 0.05 0.59 0.00 -0.62 0.02 0.00 0.00 177.57 177.61 1uul n GLU 167 N -3.96 0.30 -0.00 1.57 -0.58 -0.61 -2.20 120.64 115.15 1uul n GLU 167 Ca -0.05 0.10 0.05 0.00 -0.42 0.00 0.00 57.16 56.83 1uul n GLU 167 Cb 0.67 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.97 1uul n GLU 167 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1uul n LYS 168 N -1.27 0.31 0.00 3.49 4.81 -1.04 -4.73 118.16 119.73 1uul n LYS 168 Ca 0.09 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1uul n LYS 168 Cb 0.15 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 33.98 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 -1.82 0.00 -0.75 5.64 8.25 -0.99 -4.98 115.22 120.57 1uul n HIS 169 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1uul n HIS 169 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 0.61 0.39 3.92 -1.41 0.00 -0.94 -4.97 105.19 102.79 1uul n GLY 170 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.66 3.56 0.00 1.61 2.02 -1.26 -4.59 118.70 119.37 1uul s GLU 171 Ca 0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 54.97 54.93 1uul s GLU 171 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1uul s GLU 171 CO 0.00 0.06 0.09 0.08 0.02 0.00 0.00 175.26 175.51 1uul s VAL 172 N -2.37 4.75 -0.30 2.63 1.01 0.10 -4.44 120.40 121.78 1uul s VAL 172 Ca 0.44 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 1uul s VAL 172 Cb -0.10 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1uul s VAL 172 CO 0.36 0.34 0.45 0.00 0.00 0.00 0.00 175.10 176.25 1uul n PRO 174 N 5.52 -3.52 -2.22 0.00 -0.02 -1.26 -4.90 135.00 128.60 1uul n PRO 174 Ca -0.06 -0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 60.14 1uul n PRO 174 Cb 0.50 -1.09 -0.03 0.00 -0.02 0.00 0.00 33.50 32.87 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 -2.18 3.45 0.00 3.55 0.00 -1.26 -3.07 121.76 122.24 1uul s ALA 175 Ca 0.39 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1uul s ALA 175 Cb -0.07 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1uul s ALA 175 CO 0.33 -0.52 0.00 0.09 0.00 0.00 0.00 175.76 175.66 1uul n ASN 176 N 0.84 -3.86 -4.58 0.00 3.02 -1.26 -4.92 115.26 104.49 1uul n ASN 176 Ca 0.00 0.00 -0.58 0.00 -0.03 0.00 0.00 54.58 53.97 1uul n ASN 176 Cb 0.43 -2.22 -0.07 0.00 -0.61 0.00 0.00 39.78 37.31 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 -2.29 1.21 -4.25 3.10 -0.00 -1.18 -5.00 117.44 109.03 1uul n TRP 177 Ca 0.00 0.88 -0.20 0.00 -0.00 0.00 0.00 57.50 58.18 1uul n TRP 177 Cb 0.25 -2.22 -0.12 0.00 -0.00 0.00 0.00 31.31 29.22 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 0.88 1.03 0.16 5.87 1.02 -1.26 -5.01 119.74 122.44 1uul s LYS 178 Ca 0.91 -1.18 -0.34 0.00 0.02 0.00 0.00 55.97 55.38 1uul s LYS 178 Cb -1.17 -1.05 -0.15 0.00 -0.52 0.00 0.00 37.83 34.93 1uul s LYS 178 CO 0.58 0.22 1.36 -2.30 -0.92 0.00 0.00 175.35 174.28 1uul n PRO 179 N 0.79 1.58 0.00 -1.68 -0.02 -1.26 -1.16 135.00 133.24 1uul n PRO 179 Ca -0.17 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1uul n PRO 179 Cb 0.56 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.48 2.04 3.79 -1.23 0.00 -1.26 -5.06 105.19 105.96 1uul n GLY 180 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.42 4.41 -0.21 1.61 1.01 -0.31 -4.98 116.67 116.78 1uul s ASP 181 Ca 0.00 1.35 -0.29 0.00 0.71 0.00 0.00 52.55 54.32 1uul s ASP 181 Cb 0.00 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.84 1uul s ASP 181 CO 0.00 -2.03 1.22 -0.54 0.21 0.00 0.00 175.17 174.04 1uul s LYS 182 N -5.12 4.16 0.50 8.23 3.01 -1.26 -4.97 119.74 124.29 1uul s LYS 182 Ca 0.61 1.50 0.07 0.00 -1.01 0.00 0.00 55.97 57.14 1uul s LYS 182 Cb -0.15 -3.77 0.02 0.00 -1.01 0.00 0.00 37.83 32.93 1uul s LYS 182 CO 0.55 -0.79 0.46 0.95 0.51 0.00 0.00 175.35 177.02 1uul s THR 183 N 3.64 2.09 0.25 2.17 -4.23 -1.26 -4.65 115.64 113.64 1uul s THR 183 Ca 0.53 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1uul s THR 183 Cb -0.19 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1uul s THR 183 CO 0.15 0.00 0.16 0.00 -0.54 0.00 0.00 174.62 174.38 1uul s MET 184 N -4.29 1.39 -0.13 3.99 0.23 -1.04 -4.94 119.30 114.51 1uul s MET 184 Ca 0.44 -1.76 -0.10 0.00 -1.03 0.00 0.00 55.69 53.24 1uul s MET 184 Cb -0.03 0.14 -0.05 0.00 -1.53 0.00 0.00 34.83 33.37 1uul s MET 184 CO 0.26 -0.43 0.20 0.15 -2.03 0.00 0.00 175.02 173.17 1uul s LYS 185 N -3.96 3.84 0.00 3.16 1.02 -1.26 0.01 119.74 122.55 1uul s LYS 185 Ca 0.39 -0.05 -0.01 0.00 0.02 0.00 0.00 55.97 56.31 1uul s LYS 185 Cb 0.06 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 1uul s LYS 185 CO 0.16 0.55 1.41 -2.30 -0.92 0.00 0.00 175.35 174.24 1uul n PRO 186 N 2.66 0.68 -4.33 -1.68 -0.02 -1.26 -4.17 135.00 126.87 1uul n PRO 186 Ca -0.17 -0.22 -0.18 0.00 -2.02 0.00 0.00 63.50 60.91 1uul n PRO 186 Cb 0.53 -1.49 -0.15 0.00 -0.02 0.00 0.00 33.50 32.38 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 2.25 1.00 0.08 2.55 -1.08 -1.26 -5.08 116.67 115.13 1uul s ASP 187 Ca 0.15 -0.17 -0.25 0.00 -0.52 0.00 0.00 52.55 51.76 1uul s ASP 187 Cb 0.07 -0.11 -0.10 0.00 -1.46 0.00 0.00 42.92 41.32 1uul s ASP 187 CO 0.00 0.09 1.40 -0.65 0.52 0.00 0.00 175.17 176.53 1uul h PRO 188 N 5.87 -0.49 0.00 4.34 0.11 -1.99 -2.13 132.00 137.71 1uul h PRO 188 Ca -0.30 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1uul h PRO 188 Cb 1.18 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1uul h PRO 188 CO 0.49 -0.33 0.00 0.39 -0.21 0.00 0.00 178.00 178.34 1uul n GLU 189 N -4.62 0.00 0.00 1.05 1.02 -1.26 -2.84 120.64 113.99 1uul n GLU 189 Ca -0.06 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1uul n GLU 189 Cb 0.29 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1uul n GLU 189 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1uul n LYS 190 N -2.03 0.00 0.00 3.49 4.81 -1.23 0.93 118.16 124.13 1uul n LYS 190 Ca 0.00 0.08 0.09 0.00 -0.87 0.00 0.00 58.31 57.61 1uul n LYS 190 Cb 0.00 -1.67 -0.02 0.00 0.02 0.00 0.00 35.03 33.36 1uul n LYS 190 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1uul n SER 191 N -0.90 1.73 0.29 3.14 3.41 -0.80 -4.40 113.62 116.08 1uul n SER 191 Ca 0.00 -1.36 0.19 0.00 -0.26 0.00 0.00 58.87 57.43 1uul n SER 191 Cb 0.17 0.54 0.82 0.00 -0.26 0.00 0.00 64.21 65.49 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 1.88 0.00 0.00 4.33 1.79 0.46 -1.37 116.57 123.65 1uul h LYS 192 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1uul h LYS 192 Cb 0.63 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1uul h LYS 192 CO 0.00 0.00 -0.05 1.05 -1.08 0.00 0.00 179.45 179.37 1uul h GLU 193 N 0.00 0.00 0.12 3.15 4.11 -1.77 -2.70 114.58 117.49 1uul h GLU 193 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.14 1uul h GLU 193 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1uul h GLU 193 CO 0.00 0.05 -1.37 -0.92 0.07 0.00 0.00 179.01 176.84 1uul h TYR 194 N 0.00 0.45 0.00 2.06 3.20 -1.55 -3.32 116.97 117.81 1uul h TYR 194 Ca -0.00 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.54 1uul h TYR 194 Cb 0.64 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1uul h TYR 194 CO 0.00 1.31 0.00 0.74 -1.64 0.00 0.00 178.16 178.57 1uul h PHE 195 N 0.07 0.00 -0.24 -3.82 0.04 -1.48 -3.29 116.94 108.22 1uul h PHE 195 Ca -0.18 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.09 1uul h PHE 195 Cb 1.99 0.00 0.01 0.00 2.20 0.00 0.00 35.95 40.14 1uul h PHE 195 CO 0.06 0.00 1.68 0.41 -0.60 0.00 0.00 178.31 179.86 1uul n GLY 196 N 0.54 1.77 0.00 -1.45 0.00 -1.04 -5.13 105.19 99.88 1uul n GLY 196 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32