#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 1.02 -1.16 -4.39 120.64 114.30 1uul n GLU 5 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1uul n GLU 5 Cb 0.00 -0.84 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 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 3.48 0.06 0.62 0.00 -1.16 -4.72 121.76 120.01 1uul s ALA 6 Ca 0.00 -1.75 0.06 0.00 0.00 0.00 0.00 51.96 50.27 1uul s ALA 6 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1uul s ALA 6 CO 0.00 -1.54 -0.13 -1.21 0.00 0.00 0.00 175.76 172.89 1uul s GLU 7 N 1.77 2.19 0.34 0.00 2.02 -1.26 -5.02 118.70 118.74 1uul s GLU 7 Ca 0.06 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 1uul s GLU 7 Cb -0.19 -2.30 -0.11 0.00 0.10 0.00 0.00 34.13 31.63 1uul s GLU 7 CO 0.10 0.54 1.38 -0.51 0.02 0.00 0.00 175.26 176.79 1uul s ASP 8 N -1.73 6.62 -0.65 -0.19 1.01 -1.26 -2.87 116.67 117.60 1uul s ASP 8 Ca 0.18 2.81 0.00 0.00 0.71 0.00 0.00 52.55 56.25 1uul s ASP 8 Cb -0.11 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1uul s ASP 8 CO 0.09 -0.66 0.00 0.18 0.21 0.00 0.00 175.17 174.99 1uul n LEU 9 N 0.79 -0.30 -4.48 1.23 7.99 0.19 -4.95 117.00 117.47 1uul n LEU 9 Ca 0.01 0.15 -0.24 0.00 -0.01 0.00 0.00 56.01 55.92 1uul n LEU 9 Cb 0.41 -1.48 -0.10 0.00 -0.11 0.00 0.00 43.42 42.14 1uul n LEU 9 CO 0.61 -0.46 -0.47 -1.00 -1.51 0.00 0.00 177.39 174.55 1uul s HIS 10 N -2.09 2.31 0.14 -1.77 3.76 -1.14 -4.89 115.29 111.61 1uul s HIS 10 Ca 0.00 -0.33 -0.35 0.00 -0.15 0.00 0.00 55.06 54.24 1uul s HIS 10 Cb 0.00 -1.00 -0.15 0.00 1.11 0.00 0.00 32.58 32.53 1uul s HIS 10 CO 0.00 0.71 1.38 -2.30 -0.85 0.00 0.00 174.74 173.68 1uul n PRO 11 N -0.63 1.51 -1.99 8.40 -0.02 -1.26 -1.49 135.00 139.52 1uul n PRO 11 Ca -0.05 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 1uul n PRO 11 Cb 0.60 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1uul n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uul s ALA 12 N 0.40 2.85 0.15 3.55 0.00 0.36 -4.78 121.76 124.29 1uul s ALA 12 Ca 0.79 1.14 -0.31 0.00 0.00 0.00 0.00 51.96 53.58 1uul s ALA 12 Cb -0.83 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 18.70 1uul s ALA 12 CO 0.46 -1.07 1.81 -2.30 0.00 0.00 0.00 175.76 174.65 1uul n PRO 13 N -0.88 2.79 -2.41 0.00 -0.02 -1.26 -4.91 135.00 128.31 1uul n PRO 13 Ca 0.09 1.01 -0.41 0.00 -2.02 0.00 0.00 63.50 62.18 1uul n PRO 13 Cb 0.47 -2.89 -0.04 0.00 -0.02 0.00 0.00 33.50 31.02 1uul n PRO 13 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1uul s ASP 14 N 2.29 7.15 0.16 2.55 2.15 -1.26 -5.03 116.67 124.67 1uul s ASP 14 Ca 0.80 2.27 0.03 0.00 0.43 0.00 0.00 52.55 56.08 1uul s ASP 14 Cb -0.49 -2.62 -0.05 0.00 -0.30 0.00 0.00 42.92 39.47 1uul s ASP 14 CO 0.36 -0.28 -0.06 0.72 -0.17 0.00 0.00 175.17 175.74 1uul s PHE 15 N -0.59 1.22 -0.47 -5.34 -0.12 -1.26 -5.02 117.98 106.40 1uul s PHE 15 Ca 0.49 -0.87 0.05 0.00 -0.05 0.00 0.00 56.93 56.55 1uul s PHE 15 Cb -0.33 -0.67 0.19 0.00 -0.63 0.00 0.00 43.02 41.59 1uul s PHE 15 CO 0.39 -0.05 0.76 1.21 -0.05 0.00 0.00 175.22 177.49 1uul s ASN 16 N -3.17 -1.29 0.33 1.98 2.47 -1.26 -1.84 114.94 112.16 1uul s ASN 16 Ca 0.19 -1.34 0.05 0.00 0.42 0.00 0.00 52.86 52.18 1uul s ASN 16 Cb 0.04 1.69 -0.06 0.00 -1.45 0.00 0.00 41.25 41.46 1uul s ASN 16 CO 0.01 -0.07 0.02 -1.61 -3.72 0.00 0.00 177.10 171.74 1uul s GLU 17 N 1.11 1.68 0.36 0.43 0.41 -1.00 -4.85 118.70 116.83 1uul s GLU 17 Ca 0.26 -1.91 -0.27 0.00 -0.41 0.00 0.00 54.97 52.63 1uul s GLU 17 Cb 0.01 -1.07 -0.09 0.00 -1.78 0.00 0.00 34.13 31.20 1uul s GLU 17 CO -0.06 -0.11 1.26 0.99 -0.49 0.00 0.00 175.26 176.85 1uul s THR 18 N -3.13 2.86 0.06 3.63 2.01 -1.26 -0.32 115.64 119.49 1uul s THR 18 Ca 0.34 0.81 0.01 0.00 0.31 0.00 0.00 61.69 63.17 1uul s THR 18 Cb 0.08 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1uul s THR 18 CO 0.15 0.16 -0.06 0.00 -0.69 0.00 0.00 174.62 174.18 1uul s ALA 19 N -1.22 0.65 -0.38 7.40 0.00 0.11 -1.53 121.76 126.79 1uul s ALA 19 Ca 0.52 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.21 1uul s ALA 19 Cb -0.37 0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1uul s ALA 19 CO 0.48 -0.19 0.72 -1.17 0.00 0.00 0.00 175.76 175.60 1uul s LEU 20 N -2.37 4.22 0.59 0.00 2.96 -0.37 -2.21 118.68 121.50 1uul s LEU 20 Ca 0.01 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 1uul s LEU 20 Cb -0.01 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 1uul s LEU 20 CO -0.04 -0.71 0.95 -0.04 -1.32 0.00 0.00 176.35 175.19 1uul s MET 21 N 2.96 3.39 0.31 1.98 -1.94 -0.23 -1.61 119.30 124.17 1uul s MET 21 Ca 0.28 0.45 0.08 0.00 -1.71 0.00 0.00 55.69 54.79 1uul s MET 21 Cb -0.14 -2.18 0.84 0.00 2.01 0.00 0.00 34.83 35.36 1uul s MET 21 CO 0.17 -0.54 1.73 -1.35 -0.01 0.00 0.00 175.02 175.02 1uul h PRO 22 N -0.19 0.55 0.00 2.03 0.11 -1.78 0.71 132.00 133.43 1uul h PRO 22 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1uul h PRO 22 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1uul h PRO 22 CO 0.62 0.37 0.00 0.27 -0.21 0.00 0.00 178.00 179.05 1uul n ASN 23 N -4.90 0.00 0.00 -2.05 0.23 -1.26 -4.60 115.26 102.68 1uul n ASN 23 Ca 0.26 -0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 1uul n ASN 23 Cb 0.71 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1uul n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uul n GLY 24 N 0.51 0.78 4.01 4.83 0.00 0.24 -5.08 105.19 110.49 1uul n GLY 24 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.08 2.22 -0.17 2.61 -4.23 -1.26 -4.84 115.64 107.90 1uul s THR 25 Ca 0.00 -0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1uul s THR 25 Cb 0.00 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 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 -2.85 2.88 0.03 3.99 0.08 -1.26 -1.06 117.98 119.79 1uul s PHE 26 Ca 0.63 -0.86 -0.09 0.00 0.12 0.00 0.00 56.93 56.73 1uul s PHE 26 Cb -0.06 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 1uul s PHE 26 CO 0.41 -0.41 0.17 0.21 -0.10 0.00 0.00 175.22 175.50 1uul s LYS 27 N 0.93 0.64 0.13 0.44 2.20 -0.94 -4.94 119.74 118.20 1uul s LYS 27 Ca -0.02 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 1uul s LYS 27 Cb -0.15 0.26 -0.06 0.00 -1.51 0.00 0.00 37.83 36.37 1uul s LYS 27 CO -0.00 -0.18 1.07 0.15 -0.36 0.00 0.00 175.35 176.03 1uul s LYS 28 N -2.32 4.59 -0.10 4.03 -0.14 -1.26 0.04 119.74 124.57 1uul s LYS 28 Ca -0.07 1.64 0.03 0.00 -1.36 0.00 0.00 55.97 56.21 1uul s LYS 28 Cb -0.02 -3.33 -0.00 0.00 -1.68 0.00 0.00 37.83 32.79 1uul s LYS 28 CO -0.03 0.04 -0.21 0.08 -0.76 0.00 0.00 175.35 174.47 1uul s VAL 29 N 0.13 2.32 -0.03 3.17 1.01 0.57 -4.90 120.40 122.66 1uul s VAL 29 Ca 0.50 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1uul s VAL 29 Cb -0.27 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1uul s VAL 29 CO 0.32 0.55 -0.24 0.00 0.00 0.00 0.00 175.10 175.74 1uul s ALA 30 N 0.29 2.25 0.28 5.51 0.00 -1.26 -2.37 121.76 126.45 1uul s ALA 30 Ca -0.15 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1uul s ALA 30 Cb -0.17 -0.64 0.65 0.00 0.00 0.00 0.00 23.12 22.96 1uul s ALA 30 CO 0.08 0.52 1.70 1.25 0.00 0.00 0.00 175.76 179.32 1uul h LEU 31 N 5.52 0.30 -2.64 0.00 5.85 -1.76 0.23 115.31 122.81 1uul h LEU 31 Ca -0.43 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1uul h LEU 31 Cb 1.13 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1uul h LEU 31 CO 0.48 0.03 0.03 0.71 -0.34 0.00 0.00 178.44 179.35 1uul h THR 32 N 0.41 0.29 0.00 1.05 1.35 -1.96 -0.45 112.91 113.60 1uul h THR 32 Ca 0.52 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.38 1uul h THR 32 Cb 0.93 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1uul h THR 32 CO -0.50 0.00 -0.00 0.28 -0.25 0.00 0.00 175.52 175.05 1uul h SER 33 N 0.00 0.00 -0.12 5.36 0.02 -1.35 -1.01 113.55 116.46 1uul h SER 33 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1uul h SER 33 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 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 -3.30 0.14 -1.66 3.45 4.02 -0.18 -4.92 117.16 114.71 1uul n TYR 34 Ca -0.03 -0.07 -0.51 0.00 -0.01 0.00 0.00 57.90 57.28 1uul n TYR 34 Cb 0.08 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.69 1.58 0.00 -0.72 4.81 -0.38 0.02 118.16 124.15 1uul n LYS 35 Ca 0.17 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1uul n LYS 35 Cb 0.44 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 3.54 3.09 3.72 3.14 0.00 -0.69 -5.06 105.19 112.92 1uul n GLY 36 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.85 2.38 0.20 1.61 -0.14 0.10 -4.76 119.74 118.28 1uul s LYS 37 Ca 0.00 -1.50 -0.16 0.00 -1.36 0.00 0.00 55.97 52.95 1uul s LYS 37 Cb 0.00 -2.18 -0.08 0.00 -1.68 0.00 0.00 37.83 33.89 1uul s LYS 37 CO 0.00 0.18 0.64 -1.58 -0.76 0.00 0.00 175.35 173.83 1uul s TRP 38 N -2.39 3.58 -0.02 3.18 0.52 -0.25 -2.83 118.94 120.73 1uul s TRP 38 Ca 0.36 1.19 0.03 0.00 0.02 0.00 0.00 56.10 57.70 1uul s TRP 38 Cb -0.04 -2.48 -0.00 0.00 -1.15 0.00 0.00 33.47 29.81 1uul s TRP 38 CO 0.22 0.34 -0.10 -1.17 0.02 0.00 0.00 176.95 176.26 1uul s LEU 39 N -2.15 1.87 -0.31 2.99 2.96 0.55 0.08 118.68 124.67 1uul s LEU 39 Ca 0.42 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1uul s LEU 39 Cb -0.15 -0.56 0.04 0.00 0.50 0.00 0.00 46.19 46.02 1uul s LEU 39 CO 0.20 0.09 0.06 -0.69 -1.32 0.00 0.00 176.35 174.68 1uul s VAL 40 N 0.04 3.50 -0.23 1.68 1.01 -0.11 -0.24 120.40 126.05 1uul s VAL 40 Ca -0.01 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 1uul s VAL 40 Cb -0.07 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1uul s VAL 40 CO 0.00 -0.08 0.24 -0.22 0.00 0.00 0.00 175.10 175.04 1uul s LEU 41 N 1.37 4.13 -0.03 3.92 2.96 -0.39 -1.01 118.68 129.63 1uul s LEU 41 Ca -0.02 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1uul s LEU 41 Cb -0.19 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1uul s LEU 41 CO 0.01 0.02 -0.09 0.72 -1.32 0.00 0.00 176.35 175.69 1uul s PHE 42 N 1.15 0.94 0.10 5.38 -0.71 -0.15 -0.37 117.98 124.32 1uul s PHE 42 Ca 0.11 -0.23 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 1uul s PHE 42 Cb -0.14 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 1uul s PHE 42 CO 0.06 -0.10 0.20 -0.06 -1.34 0.00 0.00 175.22 173.97 1uul s PHE 43 N 0.22 3.40 0.02 3.49 0.40 0.23 -1.28 117.98 124.45 1uul s PHE 43 Ca -0.03 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.40 1uul s PHE 43 Cb -0.09 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.76 1uul s PHE 43 CO 0.00 0.55 0.07 1.52 0.70 0.00 0.00 175.22 178.06 1uul s TYR 44 N -1.58 0.19 -0.00 0.36 -0.85 -0.73 -3.65 117.35 111.08 1uul s TYR 44 Ca 0.33 -0.45 -0.25 0.00 -0.52 0.00 0.00 57.07 56.19 1uul s TYR 44 Cb -0.12 -0.14 -0.17 0.00 0.38 0.00 0.00 41.96 41.90 1uul s TYR 44 CO 0.26 -0.30 1.22 -1.35 -1.52 0.00 0.00 175.55 173.86 1uul h PRO 45 N 4.03 -0.25 -2.50 -3.49 0.11 -1.79 -3.40 132.00 124.70 1uul h PRO 45 Ca -0.32 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.72 1uul h PRO 45 Cb 1.19 0.06 -0.24 0.00 0.11 0.00 0.00 31.00 32.12 1uul h PRO 45 CO 0.46 0.11 -0.15 -1.64 -0.21 0.00 0.00 178.00 176.58 1uul s MET 46 N -4.48 0.56 0.75 1.05 -1.94 -1.26 -4.29 119.30 109.69 1uul s MET 46 Ca -0.14 0.76 -0.14 0.00 -1.71 0.00 0.00 55.69 54.46 1uul s MET 46 Cb 0.02 0.22 0.05 0.00 2.01 0.00 0.00 34.83 37.13 1uul s MET 46 CO 0.57 -0.09 1.17 -0.51 -0.01 0.00 0.00 175.02 176.15 1uul s ASP 47 N 0.58 4.18 -1.52 3.03 1.11 -1.26 -3.30 116.67 119.50 1uul s ASP 47 Ca -0.03 2.21 0.00 0.00 0.18 0.00 0.00 52.55 54.92 1uul s ASP 47 Cb -0.05 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1uul s ASP 47 CO -0.03 -2.26 0.00 0.49 1.18 0.00 0.00 175.17 174.54 1uul n PHE 48 N -2.99 -0.07 0.00 4.23 3.72 -1.26 -5.00 117.46 116.09 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 -2.64 0.00 0.00 -0.94 0.00 0.00 39.48 36.42 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 -2.73 0.00 0.04 4.37 -2.24 -1.21 -5.13 114.28 107.39 1uul n THR 49 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1uul n THR 49 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.27 -0.13 4.78 3.72 -1.26 -4.66 117.46 119.65 1uul n PHE 50 Ca 0.00 0.05 -0.05 0.00 -0.05 0.00 0.00 57.45 57.40 1uul n PHE 50 Cb 0.00 0.09 0.14 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.25 -0.76 -4.37 2.07 -1.94 -3.32 116.25 109.18 1uul h VAL 51 Ca 0.00 -1.01 0.13 0.00 0.82 0.00 0.00 66.70 66.64 1uul h VAL 51 Cb 0.00 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 1uul h VAL 51 CO 0.00 0.36 0.34 0.00 0.02 0.00 0.00 177.57 178.29 1uul h PRO 53 N 0.51 0.92 -0.64 0.00 0.14 -1.83 0.10 132.00 131.20 1uul h PRO 53 Ca 0.41 -0.37 0.00 0.00 0.14 0.00 0.00 66.00 66.18 1uul h PRO 53 Cb 0.58 -0.04 -0.03 0.00 0.14 0.00 0.00 31.00 31.64 1uul h PRO 53 CO -0.37 1.03 0.41 1.79 0.14 0.00 0.00 178.00 181.00 1uul h THR 54 N 0.76 1.17 0.05 1.56 1.35 -1.57 0.22 112.91 116.46 1uul h THR 54 Ca 0.11 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1uul h THR 54 Cb 0.71 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1uul h THR 54 CO 0.05 0.17 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.13 1uul h GLU 55 N 0.87 -0.07 -0.81 4.72 5.08 -1.13 -2.50 114.58 120.74 1uul h GLU 55 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1uul h GLU 55 Cb -0.08 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1uul h GLU 55 CO -0.05 0.48 0.47 0.82 -1.00 0.00 0.00 179.01 179.73 1uul h ILE 56 N -0.68 1.23 -0.26 3.13 2.04 -0.68 -0.90 117.51 121.39 1uul h ILE 56 Ca -0.01 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1uul h ILE 56 Cb 0.58 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1uul h ILE 56 CO 0.01 0.25 0.07 0.00 0.00 0.00 0.00 178.15 178.49 1uul h GLN 58 N 0.25 1.04 -0.81 0.00 5.75 -1.11 0.40 115.11 120.63 1uul h GLN 58 Ca 0.08 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1uul h GLN 58 Cb 0.27 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 1uul h GLN 58 CO -0.00 0.69 0.44 0.74 -2.65 0.00 0.00 178.83 178.04 1uul h PHE 59 N 1.07 1.11 -0.29 3.99 0.04 -0.85 -1.72 116.94 120.29 1uul h PHE 59 Ca 0.30 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.91 1uul h PHE 59 Cb -0.09 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 37.70 1uul h PHE 59 CO -0.02 0.77 -0.34 1.03 -0.60 0.00 0.00 178.31 179.15 1uul h SER 60 N 1.13 0.81 -0.67 2.17 0.87 -0.07 -2.59 113.55 115.20 1uul h SER 60 Ca 0.29 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1uul h SER 60 Cb 0.04 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 1uul h SER 60 CO -0.05 1.13 0.38 0.44 -0.53 0.00 0.00 176.83 178.20 1uul h ASP 61 N 0.50 0.84 -0.55 6.23 3.32 0.12 -3.05 116.42 123.83 1uul h ASP 61 Ca 0.04 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1uul h ASP 61 Cb 0.93 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1uul h ASP 61 CO 0.08 0.68 0.01 0.54 -1.72 0.00 0.00 179.24 178.83 1uul n ARG 62 N -4.37 4.63 -0.35 3.56 1.74 -0.68 -4.61 116.66 116.58 1uul n ARG 62 Ca 0.07 -3.13 -0.06 0.00 -0.77 0.00 0.00 57.85 53.95 1uul n ARG 62 Cb 0.10 -2.22 -0.03 0.00 -1.02 0.00 0.00 32.46 29.28 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 3.68 0.02 -0.98 1.55 2.07 -1.35 -0.09 116.25 121.15 1uul h VAL 63 Ca 0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.76 1uul h VAL 63 Cb 1.95 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 31.65 1uul h VAL 63 CO 0.48 0.00 0.63 0.11 0.02 0.00 0.00 177.57 178.81 1uul h LYS 64 N -0.06 0.49 -0.42 1.57 6.56 -1.87 0.37 116.57 123.21 1uul h LYS 64 Ca 0.24 -0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.85 1uul h LYS 64 Cb 0.52 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.05 1uul h LYS 64 CO -0.90 0.32 0.28 0.93 -2.06 0.00 0.00 179.45 178.03 1uul h GLU 65 N 0.50 0.34 0.14 3.15 5.08 -1.36 0.51 114.58 122.94 1uul h GLU 65 Ca 0.55 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.59 1uul h GLU 65 Cb 1.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1uul h GLU 65 CO -0.28 0.22 -1.50 0.74 -1.00 0.00 0.00 179.01 177.19 1uul h PHE 66 N 0.35 0.52 -0.35 4.33 0.04 -0.38 -3.37 116.94 118.08 1uul h PHE 66 Ca 0.18 -0.38 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 1uul h PHE 66 Cb 0.28 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 1uul h PHE 66 CO -0.00 1.59 0.06 1.03 -0.60 0.00 0.00 178.31 180.38 1uul h SER 67 N -0.18 0.49 0.48 2.17 0.87 -0.06 -1.26 113.55 116.05 1uul h SER 67 Ca -0.31 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1uul h SER 67 Cb 1.86 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1uul h SER 67 CO 0.09 0.51 -0.07 0.44 -0.53 0.00 0.00 176.83 177.28 1uul h ASP 68 N 0.51 0.00 -0.37 6.23 3.32 -0.16 -2.24 116.42 123.71 1uul h ASP 68 Ca 0.12 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1uul h ASP 68 Cb 0.25 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.72 1uul h ASP 68 CO 0.00 0.07 0.02 2.30 -1.72 0.00 0.00 179.24 179.92 1uul n ILE 69 N -3.39 2.50 -1.58 0.35 -5.35 -0.66 -4.94 119.36 106.29 1uul n ILE 69 Ca -0.01 -2.28 -0.00 0.00 -0.27 0.00 0.00 62.75 60.19 1uul n ILE 69 Cb 0.23 -0.31 -0.00 0.00 -1.74 0.00 0.00 39.64 37.83 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 -0.83 0.38 3.09 3.28 0.00 -0.84 -4.95 105.19 105.32 1uul n GLY 70 Ca 0.30 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 0.71 3.31 0.02 0.00 0.41 0.11 -2.77 118.70 120.50 1uul s GLU 72 Ca -0.12 -0.66 0.04 0.00 -0.41 0.00 0.00 54.97 53.82 1uul s GLU 72 Cb -0.16 -2.76 -0.02 0.00 -1.78 0.00 0.00 34.13 29.41 1uul s GLU 72 CO 0.03 0.15 -0.13 0.14 -0.49 0.00 0.00 175.26 174.96 1uul s VAL 73 N -2.21 1.04 -0.04 2.63 -7.23 -1.26 -0.94 120.40 112.39 1uul s VAL 73 Ca 0.41 -0.85 -0.01 0.00 -1.81 0.00 0.00 61.98 59.72 1uul s VAL 73 Cb -0.09 -0.92 0.03 0.00 0.56 0.00 0.00 36.38 35.96 1uul s VAL 73 CO 0.33 0.08 0.07 -0.22 -0.31 0.00 0.00 175.10 175.05 1uul s LEU 74 N -0.88 0.69 0.34 1.32 2.96 -0.18 -4.48 118.68 118.45 1uul s LEU 74 Ca 0.02 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1uul s LEU 74 Cb -0.07 0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.64 1uul s LEU 74 CO 0.01 -0.17 0.51 0.00 -1.32 0.00 0.00 176.35 175.38 1uul s ALA 75 N 1.44 3.85 -0.16 5.97 0.00 -0.97 -0.97 121.76 130.91 1uul s ALA 75 Ca -0.05 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.52 1uul s ALA 75 Cb -0.12 -1.95 0.08 0.00 0.00 0.00 0.00 23.12 21.13 1uul s ALA 75 CO -0.04 -0.02 0.77 0.00 0.00 0.00 0.00 175.76 176.47 1uul s SER 77 N -0.52 -0.18 0.43 0.00 1.04 -1.10 -1.77 113.70 111.61 1uul s SER 77 Ca -0.05 -0.77 0.11 0.00 0.48 0.00 0.00 55.95 55.72 1uul s SER 77 Cb -0.02 0.76 0.95 0.00 0.10 0.00 0.00 66.02 67.81 1uul s SER 77 CO 0.04 -1.45 2.01 -0.03 0.98 0.00 0.00 173.24 174.80 1uul h MET 78 N 2.00 0.22 -7.33 4.02 4.05 -1.79 0.37 114.93 116.47 1uul h MET 78 Ca -0.23 -0.03 -0.50 0.00 -0.28 0.00 0.00 59.70 58.66 1uul h MET 78 Cb 1.25 -0.04 0.14 0.00 -0.80 0.00 0.00 31.60 32.15 1uul h MET 78 CO 0.28 0.26 0.29 -0.51 0.23 0.00 0.00 176.91 177.46 1uul s ASP 79 N -6.90 4.01 0.77 1.39 1.01 -1.26 -4.10 116.67 111.59 1uul s ASP 79 Ca -0.06 1.61 -0.11 0.00 0.71 0.00 0.00 52.55 54.70 1uul s ASP 79 Cb 0.16 -2.31 0.05 0.00 1.01 0.00 0.00 42.92 41.84 1uul s ASP 79 CO 0.71 -2.32 1.08 -0.94 0.21 0.00 0.00 175.17 173.92 1uul s SER 80 N -3.46 4.70 0.23 0.27 1.04 -1.26 -4.11 113.70 111.11 1uul s SER 80 Ca 0.62 1.45 -0.07 0.00 0.48 0.00 0.00 55.95 58.43 1uul s SER 80 Cb -0.17 -2.22 0.33 0.00 0.10 0.00 0.00 66.02 64.06 1uul s SER 80 CO 0.56 -1.85 1.79 -0.33 0.98 0.00 0.00 173.24 174.39 1uul h GLU 81 N -1.01 0.64 -0.68 4.02 5.08 -1.93 -0.19 114.58 120.52 1uul h GLU 81 Ca -0.46 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1uul h GLU 81 Cb 1.25 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1uul h GLU 81 CO 0.58 0.42 0.22 1.88 -1.00 0.00 0.00 179.01 181.11 1uul h TYR 82 N 0.66 1.09 -0.21 4.33 -1.99 -1.99 0.22 116.97 119.09 1uul h TYR 82 Ca 0.35 -0.11 0.04 0.00 2.00 0.00 0.00 58.73 61.02 1uul h TYR 82 Cb 0.34 -0.32 -0.04 0.00 2.00 0.00 0.00 36.73 38.71 1uul h TYR 82 CO -0.09 0.87 -0.04 1.03 -0.00 0.00 0.00 178.16 179.93 1uul h SER 83 N 0.99 -0.17 0.06 3.88 0.87 -1.74 0.14 113.55 117.59 1uul h SER 83 Ca 0.22 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.86 1uul h SER 83 Cb 0.29 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.32 1uul h SER 83 CO -0.01 -0.06 -0.33 0.45 -0.53 0.00 0.00 176.83 176.35 1uul h HIS 84 N 0.01 -0.92 -0.31 2.24 3.86 0.04 -0.77 115.15 119.30 1uul h HIS 84 Ca 0.10 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.40 1uul h HIS 84 Cb 0.14 0.40 -0.07 0.00 1.06 0.00 0.00 27.41 28.94 1uul h HIS 84 CO -0.21 -0.43 -0.19 1.25 0.86 0.00 0.00 177.93 179.20 1uul h LEU 85 N -0.53 -0.63 -0.50 2.43 5.85 -0.29 0.64 115.31 122.27 1uul h LEU 85 Ca 0.04 0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.99 1uul h LEU 85 Cb 0.58 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 1uul h LEU 85 CO -0.23 -0.23 0.09 0.00 -0.34 0.00 0.00 178.44 177.73 1uul h ALA 86 N 1.03 0.56 -0.88 1.25 0.00 -0.21 0.14 119.26 121.15 1uul h ALA 86 Ca 0.16 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1uul h ALA 86 Cb 0.40 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1uul h ALA 86 CO -0.40 -0.31 0.58 2.35 0.00 0.00 0.00 179.25 181.47 1uul h TRP 87 N 0.23 1.11 0.00 0.00 7.01 0.22 0.16 115.95 124.68 1uul h TRP 87 Ca 0.25 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 1uul h TRP 87 Cb 0.35 -0.37 -0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1uul h TRP 87 CO -0.24 0.70 -0.08 0.00 -2.79 0.00 0.00 178.44 176.03 1uul h THR 88 N 1.19 0.42 0.00 2.65 1.03 0.14 -2.52 112.91 115.83 1uul h THR 88 Ca 0.32 -0.43 0.00 0.00 -0.01 0.00 0.00 66.41 66.30 1uul h THR 88 Cb -0.14 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 1uul h THR 88 CO -0.07 0.08 -0.12 0.28 -0.01 0.00 0.00 175.52 175.68 1uul h SER 89 N 0.00 0.00 -3.30 0.00 0.02 -0.01 -3.00 113.55 107.26 1uul h SER 89 Ca -0.00 -0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 60.37 1uul h SER 89 Cb 0.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1uul h SER 89 CO 0.01 0.01 -0.19 -0.63 -1.14 0.00 0.00 176.83 174.89 1uul s ILE 90 N -3.16 5.02 0.29 3.27 1.01 -1.00 -4.92 121.20 121.71 1uul s ILE 90 Ca 0.08 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.81 1uul s ILE 90 Cb 0.10 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.84 1uul s ILE 90 CO 0.65 0.03 1.21 -1.61 0.00 0.00 0.00 174.94 175.22 1uul s GLU 91 N -2.58 4.49 0.28 2.79 2.02 -1.26 -2.35 118.70 122.08 1uul s GLU 91 Ca 0.43 2.00 0.02 0.00 0.02 0.00 0.00 54.97 57.44 1uul s GLU 91 Cb -0.12 -3.14 0.65 0.00 0.10 0.00 0.00 34.13 31.61 1uul s GLU 91 CO 0.22 -0.01 1.72 0.00 0.02 0.00 0.00 175.26 177.21 1uul h ARG 92 N 3.81 0.46 0.00 1.61 3.08 -1.84 0.31 114.38 121.82 1uul h ARG 92 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1uul h ARG 92 Cb 1.22 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1uul h ARG 92 CO 0.67 0.31 0.00 0.36 -1.07 0.00 0.00 179.97 180.24 1uul n LYS 93 N -4.98 0.01 -0.17 0.04 2.85 -1.26 -0.60 118.16 114.05 1uul n LYS 93 Ca 0.20 0.39 0.06 0.00 -1.05 0.00 0.00 58.31 57.91 1uul n LYS 93 Cb 0.57 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.58 1uul n LYS 93 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1uul n ARG 94 N -1.44 2.54 -0.28 -1.58 1.74 0.96 -4.93 116.66 113.67 1uul n ARG 94 Ca 0.01 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.86 1uul n ARG 94 Cb 0.03 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1uul n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uul n GLY 95 N -0.47 0.80 3.57 -0.13 0.00 0.23 -4.94 105.19 104.25 1uul n GLY 95 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.21 -0.68 0.11 -0.02 0.00 -0.43 -4.86 105.19 97.11 1uul n GLY 96 Ca 0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 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 1.00 0.00 0.99 4.32 -0.99 -3.95 117.00 118.38 1uul n LEU 97 Ca 0.15 -0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.17 1uul n LEU 97 Cb 0.54 0.02 -0.01 0.00 -1.62 0.00 0.00 43.42 42.35 1uul n LEU 97 CO 0.38 0.63 -0.04 0.61 -1.22 0.00 0.00 177.39 177.75 1uul n GLY 98 N 1.89 -1.63 3.73 -0.72 0.00 -0.99 -4.69 105.19 102.77 1uul n GLY 98 Ca -0.35 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.61 2.40 -4.19 1.61 1.13 -1.26 -4.70 117.38 110.76 1uul n GLN 99 Ca 0.00 0.85 -0.31 0.00 -1.94 0.00 0.00 57.00 55.59 1uul n GLN 99 Cb 0.11 -2.52 -0.08 0.00 0.11 0.00 0.00 30.24 27.86 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 -1.64 2.73 0.00 -1.09 -1.94 -1.26 -5.02 119.30 111.07 1uul s MET 100 Ca 0.57 -0.70 0.17 0.00 -1.71 0.00 0.00 55.69 54.02 1uul s MET 100 Cb -0.53 -2.64 0.38 0.00 2.01 0.00 0.00 34.83 34.05 1uul s MET 100 CO 0.60 0.59 1.29 0.09 -0.01 0.00 0.00 175.02 177.58 1uul n ASN 101 N 0.98 3.14 -4.05 3.03 5.03 -1.26 -4.46 115.26 117.67 1uul n ASN 101 Ca -0.12 -1.92 -0.20 0.00 0.87 0.00 0.00 54.58 53.20 1uul n ASN 101 Cb 0.52 -0.25 -0.15 0.00 -1.02 0.00 0.00 39.78 38.88 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 -1.12 0.88 0.54 2.41 1.09 -1.26 -4.88 121.20 118.86 1uul s ILE 102 Ca 0.31 -0.46 -0.19 0.00 -1.10 0.00 0.00 60.65 59.21 1uul s ILE 102 Cb 0.17 -0.75 -0.06 0.00 -1.06 0.00 0.00 42.46 40.77 1uul s ILE 102 CO 0.23 0.25 1.08 -2.84 -0.10 0.00 0.00 174.94 173.57 1uul s PRO 103 N -0.16 3.44 -0.22 2.79 0.02 -1.26 -4.36 135.00 135.25 1uul s PRO 103 Ca 0.03 1.43 -0.01 0.00 0.02 0.00 0.00 61.00 62.47 1uul s PRO 103 Cb -0.05 -2.03 0.06 0.00 0.02 0.00 0.00 34.50 32.49 1uul s PRO 103 CO -0.00 -0.74 -0.02 0.42 -0.33 0.00 0.00 177.00 176.33 1uul s ILE 104 N -2.02 1.16 0.58 2.83 1.01 -0.63 -2.30 121.20 121.82 1uul s ILE 104 Ca 0.69 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 1uul s ILE 104 Cb -0.20 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1uul s ILE 104 CO 0.28 -0.14 1.25 -0.76 0.00 0.00 0.00 174.94 175.56 1uul s LEU 105 N 1.57 3.73 -0.52 2.97 1.43 -0.04 -1.23 118.68 126.58 1uul s LEU 105 Ca -0.04 2.49 0.02 0.00 -1.03 0.00 0.00 54.13 55.57 1uul s LEU 105 Cb -0.18 -4.50 0.13 0.00 0.03 0.00 0.00 46.19 41.67 1uul s LEU 105 CO -0.07 -1.57 0.27 0.00 0.23 0.00 0.00 176.35 175.21 1uul s ALA 106 N -1.50 3.32 -1.19 4.21 0.00 -0.58 -2.70 121.76 123.32 1uul s ALA 106 Ca 0.76 -3.16 -0.11 0.00 0.00 0.00 0.00 51.96 49.45 1uul s ALA 106 Cb -0.33 -2.27 0.20 0.00 0.00 0.00 0.00 23.12 20.73 1uul s ALA 106 CO 0.37 -1.99 1.44 -0.40 0.00 0.00 0.00 175.76 175.18 1uul n ASP 107 N 3.39 5.35 0.20 0.00 5.75 0.12 -4.60 116.55 126.76 1uul n ASP 107 Ca 0.05 -3.04 0.07 0.00 -0.01 0.00 0.00 54.79 51.86 1uul n ASP 107 Cb 0.35 -1.49 0.59 0.00 -1.03 0.00 0.00 41.12 39.54 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 6.68 0.12 0.00 0.11 1.57 -1.80 -0.10 116.57 123.15 1uul h LYS 108 Ca 0.29 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1uul h LYS 108 Cb 0.81 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1uul h LYS 108 CO 1.26 0.08 -0.34 1.79 -0.57 0.00 0.00 179.45 181.67 1uul h THR 109 N 0.12 0.22 0.00 -0.16 1.35 -1.90 -3.47 112.91 109.07 1uul h THR 109 Ca 0.04 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1uul h THR 109 Cb 0.01 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1uul h THR 109 CO -0.01 0.13 0.00 0.29 -0.25 0.00 0.00 175.52 175.68 1uul n LYS 110 N -3.05 -0.28 0.04 4.72 5.02 -0.05 -4.91 118.16 119.64 1uul n LYS 110 Ca 0.02 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1uul n LYS 110 Cb 0.60 -3.25 0.32 0.00 -0.02 0.00 0.00 35.03 32.67 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 0.41 1.16 -0.17 0.00 2.04 -1.91 -1.29 117.51 117.75 1uul h ILE 112 Ca 0.09 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1uul h ILE 112 Cb 0.37 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1uul h ILE 112 CO 0.02 0.22 -0.03 0.24 0.00 0.00 0.00 178.15 178.60 1uul h MET 113 N -0.51 0.25 -0.22 2.37 0.00 -1.92 -1.03 114.93 113.86 1uul h MET 113 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 59.70 59.63 1uul h MET 113 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 31.60 31.99 1uul h MET 113 CO 0.02 0.30 0.07 0.87 0.00 0.00 0.00 176.91 178.17 1uul h LYS 114 N 0.24 0.33 -0.90 1.72 1.57 -1.20 -1.53 116.57 116.81 1uul h LYS 114 Ca 0.06 -0.07 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1uul h LYS 114 Cb 0.22 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.38 1uul h LYS 114 CO 0.01 0.41 0.49 0.77 -0.57 0.00 0.00 179.45 180.56 1uul h SER 115 N 0.19 0.62 -0.13 0.86 0.02 -0.01 -0.66 113.55 114.45 1uul h SER 115 Ca 0.07 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1uul h SER 115 Cb 0.21 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1uul h SER 115 CO -0.00 0.26 0.00 -1.22 -1.14 0.00 0.00 176.83 174.73 1uul n TYR 116 N -4.82 0.16 -3.15 3.45 4.02 -0.68 -2.97 117.16 113.17 1uul n TYR 116 Ca 0.18 -0.08 -0.22 0.00 -0.01 0.00 0.00 57.90 57.78 1uul n TYR 116 Cb 0.45 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.82 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 1.11 -0.45 0.27 2.72 0.00 -0.25 -4.78 105.19 103.80 1uul n GLY 117 Ca 0.17 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.59 1.76 -2.96 1.61 0.24 -0.66 -4.72 118.33 109.01 1uul n VAL 118 Ca -0.07 -2.28 -0.40 0.00 -2.04 0.00 0.00 64.34 59.55 1uul n VAL 118 Cb 0.60 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.65 4.51 -0.56 1.34 0.20 -1.23 -0.89 118.68 119.38 1uul s LEU 119 Ca 0.31 1.55 -0.14 0.00 0.69 0.00 0.00 54.13 56.54 1uul s LEU 119 Cb 0.28 -3.29 0.14 0.00 -0.43 0.00 0.00 46.19 42.89 1uul s LEU 119 CO -0.00 0.08 0.50 -1.59 -0.29 0.00 0.00 176.35 175.05 1uul s LYS 120 N -0.44 2.96 0.45 1.98 -2.85 0.85 -4.89 119.74 117.79 1uul s LYS 120 Ca 0.38 -1.82 0.26 0.00 -1.00 0.00 0.00 55.97 53.79 1uul s LYS 120 Cb -0.22 -4.24 1.30 0.00 -2.06 0.00 0.00 37.83 32.62 1uul s LYS 120 CO 0.25 -1.30 1.74 0.93 0.10 0.00 0.00 175.35 177.07 1uul h GLU 121 N 8.65 0.22 0.00 1.78 4.39 -1.95 0.51 114.58 128.18 1uul h GLU 121 Ca -0.23 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.38 1uul h GLU 121 Cb 1.09 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1uul h GLU 121 CO 0.97 0.14 -0.38 1.05 -1.16 0.00 0.00 179.01 179.63 1uul h GLU 122 N 0.22 0.00 0.00 2.33 9.09 -1.96 -3.32 114.58 120.95 1uul h GLU 122 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.05 1uul h GLU 122 Cb 1.97 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.07 1uul h GLU 122 CO -0.24 0.38 -0.92 -0.25 0.05 0.00 0.00 179.01 178.02 1uul n ASP 123 N -3.97 2.27 0.00 3.06 8.00 0.03 -5.01 116.55 120.92 1uul n ASP 123 Ca -0.02 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1uul n ASP 123 Cb 0.42 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.71 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 1.75 0.61 3.48 0.44 0.00 -0.36 -5.04 105.19 106.07 1uul n GLY 124 Ca -0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 1.57 0.04 1.61 -7.23 -1.25 -4.88 120.40 108.27 1uul s VAL 125 Ca 0.00 -2.06 -0.13 0.00 -1.81 0.00 0.00 61.98 57.98 1uul s VAL 125 Cb 0.00 -2.69 -0.06 0.00 0.56 0.00 0.00 36.38 34.19 1uul s VAL 125 CO 0.00 -0.13 0.41 0.00 -0.31 0.00 0.00 175.10 175.07 1uul s ALA 126 N -3.04 3.70 1.01 1.32 0.00 -1.26 -0.11 121.76 123.38 1uul s ALA 126 Ca 0.33 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.87 1uul s ALA 126 Cb 0.07 -2.35 0.19 0.00 0.00 0.00 0.00 23.12 21.03 1uul s ALA 126 CO 0.15 0.51 1.14 0.71 0.00 0.00 0.00 175.76 178.26 1uul s TYR 127 N -1.23 1.84 -1.31 0.00 1.51 -0.07 -2.83 117.35 115.26 1uul s TYR 127 Ca 0.28 0.75 -0.16 0.00 -1.01 0.00 0.00 57.07 56.93 1uul s TYR 127 Cb -0.15 -3.44 0.01 0.00 -0.11 0.00 0.00 41.96 38.26 1uul s TYR 127 CO 0.16 -2.91 2.07 0.54 -1.11 0.00 0.00 175.55 174.30 1uul n ARG 128 N -4.12 2.65 -3.31 -0.62 1.74 -0.89 -4.32 116.66 107.79 1uul n ARG 128 Ca 0.08 -2.61 -0.35 0.00 -0.77 0.00 0.00 57.85 54.20 1uul n ARG 128 Cb 0.59 -3.30 -0.06 0.00 -1.02 0.00 0.00 32.46 28.67 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 3.85 2.48 -0.00 -0.13 0.00 -1.24 -1.18 107.32 111.09 1uul s GLY 129 Ca 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1uul s GLY 129 CO -0.01 0.21 -0.01 -2.27 0.00 0.00 0.00 173.10 171.02 1uul s LEU 130 N -2.00 1.89 0.02 0.66 0.20 0.37 -0.60 118.68 119.22 1uul s LEU 130 Ca 0.39 -0.02 0.03 0.00 0.69 0.00 0.00 54.13 55.23 1uul s LEU 130 Cb -0.15 -0.08 -0.02 0.00 -0.43 0.00 0.00 46.19 45.52 1uul s LEU 130 CO 0.19 -0.00 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.79 1uul s PHE 131 N 0.10 0.88 -0.28 5.38 0.40 0.50 -0.78 117.98 124.18 1uul s PHE 131 Ca -0.01 -0.30 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1uul s PHE 131 Cb -0.02 -0.54 0.03 0.00 0.51 0.00 0.00 43.02 43.00 1uul s PHE 131 CO -0.00 -0.01 0.01 0.42 0.70 0.00 0.00 175.22 176.33 1uul s ILE 132 N -0.71 3.30 -0.09 0.64 1.01 -0.89 -1.27 121.20 123.20 1uul s ILE 132 Ca -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 1uul s ILE 132 Cb -0.06 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1uul s ILE 132 CO 0.00 0.08 0.05 -0.63 0.00 0.00 0.00 174.94 174.44 1uul s ILE 133 N 1.37 4.70 0.51 2.92 1.01 0.66 -1.06 121.20 131.31 1uul s ILE 133 Ca -0.00 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1uul s ILE 133 Cb -0.18 -3.02 0.04 0.00 0.01 0.00 0.00 42.46 39.32 1uul s ILE 133 CO -0.01 0.58 0.70 1.51 0.00 0.00 0.00 174.94 177.71 1uul s ASP 134 N -1.03 5.34 0.56 3.58 1.47 -0.57 -0.33 116.67 125.70 1uul s ASP 134 Ca 0.15 -0.46 0.31 0.00 1.18 0.00 0.00 52.55 53.73 1uul s ASP 134 Cb -0.12 -0.40 1.46 0.00 -0.34 0.00 0.00 42.92 43.53 1uul s ASP 134 CO 0.04 -1.07 1.85 -0.65 0.68 0.00 0.00 175.17 176.03 1uul h PRO 135 N 0.33 0.00 -0.54 2.11 0.11 -1.82 0.66 132.00 132.85 1uul h PRO 135 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 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 0.45 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.87 1uul n LYS 136 N -3.99 2.41 -2.18 1.05 5.02 -1.26 -1.71 118.16 117.50 1uul n LYS 136 Ca 0.15 -1.85 -0.11 0.00 -2.02 0.00 0.00 58.31 54.48 1uul n LYS 136 Cb 0.91 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.41 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 0.86 -0.91 -3.97 1.97 6.02 0.23 -4.97 117.38 116.60 1uul n GLN 137 Ca 0.17 0.57 -0.28 0.00 -0.01 0.00 0.00 57.00 57.45 1uul n GLN 137 Cb 0.50 -4.71 -0.04 0.00 1.02 0.00 0.00 30.24 27.01 1uul n GLN 137 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1uul s ASN 138 N -2.50 6.10 0.08 1.08 0.01 -1.25 -0.48 114.94 117.98 1uul s ASN 138 Ca 0.00 0.13 -0.29 0.00 -0.71 0.00 0.00 52.86 51.99 1uul s ASN 138 Cb 0.00 -1.79 -0.05 0.00 0.41 0.00 0.00 41.25 39.82 1uul s ASN 138 CO 0.00 0.11 0.95 -0.22 -1.51 0.00 0.00 177.10 176.43 1uul s LEU 139 N -2.83 4.47 0.00 0.60 2.96 -0.55 -1.51 118.68 121.81 1uul s LEU 139 Ca 0.33 1.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1uul s LEU 139 Cb -0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1uul s LEU 139 CO 0.27 -0.10 0.10 0.54 -1.32 0.00 0.00 176.35 175.83 1uul n ARG 140 N 3.02 2.29 -3.69 1.98 1.74 -0.22 -0.64 116.66 121.15 1uul n ARG 140 Ca 0.03 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.90 1uul n ARG 140 Cb 0.50 -0.45 -0.10 0.00 -1.02 0.00 0.00 32.46 31.39 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 -0.36 0.50 -0.06 5.56 -0.44 -1.23 -4.96 119.66 118.69 1uul s GLN 141 Ca 0.00 0.82 0.04 0.00 -2.50 0.00 0.00 55.36 53.72 1uul s GLN 141 Cb 0.00 0.11 -0.00 0.00 -1.64 0.00 0.00 33.01 31.48 1uul s GLN 141 CO 0.00 -0.12 -0.19 0.42 0.50 0.00 0.00 175.29 175.89 1uul s ILE 142 N 1.02 1.63 -0.08 -2.34 1.01 -1.26 -2.11 121.20 119.07 1uul s ILE 142 Ca -0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1uul s ILE 142 Cb -0.06 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 41.05 1uul s ILE 142 CO -0.09 0.46 0.14 -0.89 0.00 0.00 0.00 174.94 174.57 1uul s THR 143 N 0.12 -0.23 -0.10 2.92 2.01 0.04 -5.00 115.64 115.39 1uul s THR 143 Ca -0.07 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 1uul s THR 143 Cb -0.14 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.11 1uul s THR 143 CO 0.04 0.13 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.36 1uul s VAL 144 N 2.27 0.78 -0.05 3.82 1.01 -1.26 0.14 120.40 127.11 1uul s VAL 144 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1uul s VAL 144 Cb -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1uul s VAL 144 CO -0.06 0.30 0.03 0.20 0.00 0.00 0.00 175.10 175.58 1uul s ASN 145 N 1.81 5.40 0.85 3.32 0.02 -0.33 -4.96 114.94 121.06 1uul s ASN 145 Ca 0.05 0.13 -0.11 0.00 -1.02 0.00 0.00 52.86 51.90 1uul s ASN 145 Cb -0.13 -1.52 0.11 0.00 0.02 0.00 0.00 41.25 39.73 1uul s ASN 145 CO -0.07 0.33 1.16 -0.62 0.02 0.00 0.00 177.10 177.91 1uul s ASP 146 N -1.29 3.40 0.34 -1.22 2.15 -1.26 -2.09 116.67 116.69 1uul s ASP 146 Ca 0.17 2.19 0.08 0.00 0.43 0.00 0.00 52.55 55.43 1uul s ASP 146 Cb -0.12 -2.57 0.78 0.00 -0.30 0.00 0.00 42.92 40.72 1uul s ASP 146 CO 0.07 -2.79 1.83 -0.07 -0.17 0.00 0.00 175.17 174.05 1uul h LEU 147 N -1.41 0.71 -1.42 -1.34 3.38 -1.97 -2.97 115.31 110.30 1uul h LEU 147 Ca -0.44 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1uul h LEU 147 Cb 1.27 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1uul h LEU 147 CO 0.45 0.32 -0.01 -0.65 0.09 0.00 0.00 178.44 178.64 1uul h PRO 148 N 0.73 0.00 -5.17 1.13 0.11 -2.04 -3.43 132.00 123.33 1uul h PRO 148 Ca 0.50 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.96 1uul h PRO 148 Cb 0.81 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.65 1uul h PRO 148 CO -0.27 0.01 -0.74 0.08 -0.21 0.00 0.00 178.00 176.87 1uul s VAL 149 N -3.66 3.26 0.76 3.15 1.01 -1.12 -4.99 120.40 118.80 1uul s VAL 149 Ca 0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1uul s VAL 149 Cb 0.09 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 34.09 1uul s VAL 149 CO 0.55 0.48 1.12 -0.83 0.00 0.00 0.00 175.10 176.42 1uul s GLY 150 N 0.87 1.61 0.66 4.51 0.00 -1.26 -4.72 107.32 109.01 1uul s GLY 150 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1uul s GLY 150 CO 0.01 0.00 0.91 0.54 0.00 0.00 0.00 173.10 174.56 1uul n ARG 151 N -3.19 -0.03 -4.09 2.90 1.74 -1.26 -5.09 116.66 107.64 1uul n ARG 151 Ca 0.07 -2.50 -0.32 0.00 -0.77 0.00 0.00 57.85 54.32 1uul n ARG 151 Cb 0.58 -0.60 -0.16 0.00 -1.02 0.00 0.00 32.46 31.27 1uul n ARG 151 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1uul s ASP 152 N -4.72 3.80 0.30 0.55 2.15 -1.26 -4.99 116.67 112.51 1uul s ASP 152 Ca 0.61 -1.03 -0.01 0.00 0.43 0.00 0.00 52.55 52.55 1uul s ASP 152 Cb -0.03 -1.50 0.49 0.00 -0.30 0.00 0.00 42.92 41.57 1uul s ASP 152 CO 0.40 -0.10 1.95 0.58 -0.17 0.00 0.00 175.17 177.83 1uul h VAL 153 N 6.37 1.16 -0.34 1.11 2.07 -1.98 -1.18 116.25 123.45 1uul h VAL 153 Ca -0.32 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1uul h VAL 153 Cb 1.09 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1uul h VAL 153 CO 0.54 0.19 0.03 0.44 0.02 0.00 0.00 177.57 178.79 1uul h ASP 154 N 1.07 0.49 -0.17 0.57 3.32 -1.99 -1.72 116.42 117.98 1uul h ASP 154 Ca 0.33 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 1uul h ASP 154 Cb -0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1uul h ASP 154 CO -0.09 0.54 -0.33 -0.08 -1.72 0.00 0.00 179.24 177.55 1uul h GLU 155 N 0.51 0.68 -0.48 3.56 4.57 -1.65 0.89 114.58 122.66 1uul h GLU 155 Ca 0.11 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1uul h GLU 155 Cb 0.29 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1uul h GLU 155 CO 0.01 0.92 0.29 0.00 -1.18 0.00 0.00 179.01 179.05 1uul h ALA 156 N 1.05 0.61 -0.27 2.92 0.00 -1.02 -0.90 119.26 121.66 1uul h ALA 156 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1uul h ALA 156 Cb 0.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1uul h ALA 156 CO 0.07 0.10 0.14 1.25 0.00 0.00 0.00 179.25 180.81 1uul h LEU 157 N 0.64 0.34 -0.65 0.00 6.46 -0.87 -0.69 115.31 120.53 1uul h LEU 157 Ca 0.17 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1uul h LEU 157 Cb -0.01 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 1uul h LEU 157 CO -0.03 0.35 0.38 -0.09 -0.62 0.00 0.00 178.44 178.43 1uul h ARG 158 N 0.31 0.69 -0.37 1.25 2.43 -0.59 -1.55 114.38 116.54 1uul h ARG 158 Ca 0.09 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1uul h ARG 158 Cb 0.09 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1uul h ARG 158 CO -0.01 0.45 0.10 -0.07 -1.51 0.00 0.00 179.97 178.93 1uul h LEU 159 N 0.71 0.55 -0.50 3.80 3.38 -0.52 -0.21 115.31 122.51 1uul h LEU 159 Ca 0.28 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1uul h LEU 159 Cb 0.13 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1uul h LEU 159 CO -0.16 0.62 0.28 0.58 0.09 0.00 0.00 178.44 179.86 1uul h VAL 160 N 0.45 1.01 -0.69 1.22 2.07 -0.65 -0.40 116.25 119.25 1uul h VAL 160 Ca 0.12 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1uul h VAL 160 Cb 0.28 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1uul h VAL 160 CO -0.00 0.10 0.14 0.11 0.02 0.00 0.00 177.57 177.94 1uul h LYS 161 N 0.55 1.13 -0.45 1.57 1.57 -0.97 0.49 116.57 120.47 1uul h LYS 161 Ca 0.21 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1uul h LYS 161 Cb 0.07 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1uul h LYS 161 CO -0.12 1.01 0.26 0.00 -0.57 0.00 0.00 179.45 180.03 1uul h ALA 162 N 1.07 0.57 -0.19 3.86 0.00 -0.11 0.22 119.26 124.68 1uul h ALA 162 Ca 0.21 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1uul h ALA 162 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1uul h ALA 162 CO 0.01 -0.07 -0.25 0.74 0.00 0.00 0.00 179.25 179.68 1uul h PHE 163 N 0.51 0.40 -0.48 0.00 -1.00 -0.51 0.34 116.94 116.19 1uul h PHE 163 Ca 0.18 -0.08 -0.11 0.00 2.81 0.00 0.00 57.97 60.78 1uul h PHE 163 Cb 0.04 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1uul h PHE 163 CO -0.08 0.59 -0.12 1.96 -1.61 0.00 0.00 178.31 179.05 1uul h GLN 164 N 0.32 0.90 -0.64 1.51 4.20 -0.00 -1.55 115.11 119.85 1uul h GLN 164 Ca 0.05 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 1uul h GLN 164 Cb 0.62 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1uul h GLN 164 CO 0.04 0.97 0.12 0.35 -0.67 0.00 0.00 178.83 179.64 1uul h PHE 165 N 0.81 1.11 -0.33 2.96 3.04 0.17 -2.64 116.94 122.05 1uul h PHE 165 Ca 0.13 -0.15 -0.16 0.00 3.98 0.00 0.00 57.97 61.77 1uul h PHE 165 Cb 0.64 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1uul h PHE 165 CO 0.04 0.94 -0.42 0.28 -2.02 0.00 0.00 178.31 177.13 1uul h VAL 166 N 0.97 1.28 0.00 1.41 2.07 -0.68 -2.57 116.25 118.73 1uul h VAL 166 Ca 0.20 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1uul h VAL 166 Cb 0.42 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1uul h VAL 166 CO 0.01 0.53 0.00 -0.62 0.02 0.00 0.00 177.57 177.51 1uul n GLU 167 N -4.04 0.63 -0.02 1.57 1.02 -0.61 -2.30 120.64 116.90 1uul n GLU 167 Ca -0.02 0.02 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1uul n GLU 167 Cb 0.56 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.39 1uul n GLU 167 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1uul n LYS 168 N -1.10 0.99 0.00 3.49 4.81 -1.01 -4.73 118.16 120.60 1uul n LYS 168 Ca 0.16 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1uul n LYS 168 Cb 0.13 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 33.91 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 -2.05 0.00 -0.77 5.64 8.25 -1.00 -4.99 115.22 120.30 1uul n HIS 169 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1uul n HIS 169 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 0.31 0.40 3.93 -1.41 0.00 -0.97 -4.97 105.19 102.48 1uul n GLY 170 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 3.52 -0.02 1.61 2.02 -1.26 -4.60 118.70 119.31 1uul s GLU 171 Ca 0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 1uul s GLU 171 Cb 0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 1uul s GLU 171 CO 0.00 0.23 0.09 0.08 0.02 0.00 0.00 175.26 175.68 1uul s VAL 172 N -2.15 4.81 -0.45 2.63 1.01 0.12 -4.43 120.40 121.92 1uul s VAL 172 Ca 0.40 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 1uul s VAL 172 Cb -0.10 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1uul s VAL 172 CO 0.33 0.38 0.51 0.00 0.00 0.00 0.00 175.10 176.32 1uul n PRO 174 N 5.80 0.92 -2.54 0.00 -0.02 -1.26 -4.88 135.00 133.01 1uul n PRO 174 Ca -0.07 -0.22 -0.40 0.00 -2.02 0.00 0.00 63.50 60.79 1uul n PRO 174 Cb 0.46 -1.06 -0.05 0.00 -0.02 0.00 0.00 33.50 32.84 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 -2.02 3.38 0.00 3.55 0.00 -1.26 -3.19 121.76 122.23 1uul s ALA 175 Ca 0.10 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1uul s ALA 175 Cb -0.02 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1uul s ALA 175 CO 0.08 -0.10 0.00 0.09 0.00 0.00 0.00 175.76 175.84 1uul n ASN 176 N 1.52 -4.07 -4.60 0.00 3.02 -1.26 -4.93 115.26 104.94 1uul n ASN 176 Ca -0.00 0.00 -0.61 0.00 -0.03 0.00 0.00 54.58 53.94 1uul n ASN 176 Cb 0.46 -2.14 -0.08 0.00 -0.61 0.00 0.00 39.78 37.40 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 -2.35 1.19 -4.34 3.10 -0.00 -1.19 -4.99 117.44 108.85 1uul n TRP 177 Ca 0.00 1.00 -0.23 0.00 -0.00 0.00 0.00 57.50 58.28 1uul n TRP 177 Cb 0.25 -2.19 -0.11 0.00 -0.00 0.00 0.00 31.31 29.26 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 1.25 1.29 0.22 5.87 1.02 -1.26 -5.00 119.74 123.13 1uul s LYS 178 Ca 0.95 -1.40 -0.32 0.00 0.02 0.00 0.00 55.97 55.22 1uul s LYS 178 Cb -1.29 -1.40 -0.14 0.00 -0.52 0.00 0.00 37.83 34.48 1uul s LYS 178 CO 0.64 0.29 1.40 -2.30 -0.92 0.00 0.00 175.35 174.46 1uul n PRO 179 N 0.35 1.93 0.00 -1.68 -0.02 -1.26 -1.27 135.00 133.05 1uul n PRO 179 Ca -0.14 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1uul n PRO 179 Cb 0.57 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.31 1.94 3.82 -1.23 0.00 -1.26 -5.07 105.19 105.70 1uul n GLY 180 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.47 4.80 -0.26 1.61 1.01 -0.40 -4.98 116.67 116.98 1uul s ASP 181 Ca 0.00 1.29 -0.29 0.00 0.71 0.00 0.00 52.55 54.26 1uul s ASP 181 Cb 0.00 -2.06 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 1uul s ASP 181 CO 0.00 -1.78 1.30 -0.54 0.21 0.00 0.00 175.17 174.37 1uul s LYS 182 N -5.19 3.99 0.51 8.23 1.02 -1.26 -4.97 119.74 122.06 1uul s LYS 182 Ca 0.60 1.37 0.08 0.00 0.02 0.00 0.00 55.97 58.05 1uul s LYS 182 Cb -0.14 -3.86 0.05 0.00 -0.52 0.00 0.00 37.83 33.37 1uul s LYS 182 CO 0.54 -1.02 0.64 0.95 -0.92 0.00 0.00 175.35 175.54 1uul s THR 183 N 4.18 2.41 0.25 2.17 -4.23 -1.26 -4.68 115.64 114.47 1uul s THR 183 Ca 0.56 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 1uul s THR 183 Cb -0.18 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1uul s THR 183 CO 0.21 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.44 1uul s MET 184 N -4.47 1.38 -0.15 3.99 0.00 -1.06 -4.94 119.30 114.06 1uul s MET 184 Ca 0.55 -1.76 -0.09 0.00 0.00 0.00 0.00 55.69 54.39 1uul s MET 184 Cb -0.06 0.12 -0.05 0.00 0.00 0.00 0.00 34.83 34.84 1uul s MET 184 CO 0.34 -0.42 0.16 0.15 0.00 0.00 0.00 175.02 175.25 1uul s LYS 185 N -3.98 3.86 0.00 3.16 -0.14 -1.26 0.12 119.74 121.49 1uul s LYS 185 Ca 0.38 -0.12 -0.01 0.00 -1.36 0.00 0.00 55.97 54.86 1uul s LYS 185 Cb 0.06 -3.31 -0.05 0.00 -1.68 0.00 0.00 37.83 32.85 1uul s LYS 185 CO 0.15 0.52 1.08 -2.30 -0.76 0.00 0.00 175.35 174.04 1uul n PRO 186 N 2.77 0.47 -4.00 -1.68 -0.02 -1.26 -4.21 135.00 127.07 1uul n PRO 186 Ca -0.17 -0.17 -0.16 0.00 -2.02 0.00 0.00 63.50 60.98 1uul n PRO 186 Cb 0.53 -1.52 -0.15 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 2.39 0.40 0.07 2.55 -1.08 -1.26 -5.08 116.67 114.67 1uul s ASP 187 Ca 0.11 -0.05 -0.15 0.00 -0.52 0.00 0.00 52.55 51.95 1uul s ASP 187 Cb 0.05 -0.13 -0.04 0.00 -1.46 0.00 0.00 42.92 41.34 1uul s ASP 187 CO 0.00 -0.02 1.26 -0.65 0.52 0.00 0.00 175.17 176.27 1uul h PRO 188 N 6.62 -0.05 0.00 4.34 0.11 -1.99 -2.19 132.00 138.84 1uul h PRO 188 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1uul h PRO 188 Cb 1.17 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uul h PRO 188 CO 0.49 -0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.64 1uul n GLU 189 N -4.04 0.00 0.00 1.05 -0.58 -1.26 -2.95 120.64 112.86 1uul n GLU 189 Ca 0.00 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1uul n GLU 189 Cb 0.13 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1uul n GLU 189 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1uul n LYS 190 N -2.19 0.00 0.00 3.49 4.81 -1.22 0.01 118.16 123.06 1uul n LYS 190 Ca 0.00 0.07 0.09 0.00 -0.87 0.00 0.00 58.31 57.60 1uul n LYS 190 Cb 0.00 -1.52 -0.02 0.00 0.02 0.00 0.00 35.03 33.52 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 -0.99 1.68 0.27 3.14 3.41 -0.82 -4.30 113.62 116.00 1uul n SER 191 Ca 0.00 -1.34 0.15 0.00 -0.26 0.00 0.00 58.87 57.42 1uul n SER 191 Cb 0.02 0.54 0.78 0.00 -0.26 0.00 0.00 64.21 65.29 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 1.80 0.00 0.00 4.33 1.79 -0.51 -1.54 116.57 122.45 1uul h LYS 192 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1uul h LYS 192 Cb 0.61 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1uul h LYS 192 CO 0.00 0.09 -0.11 1.05 -1.08 0.00 0.00 179.45 179.40 1uul h GLU 193 N 0.00 0.00 0.01 3.15 4.11 -1.77 -2.78 114.58 117.30 1uul h GLU 193 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1uul h GLU 193 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1uul h GLU 193 CO 0.01 0.11 -0.30 -0.92 0.07 0.00 0.00 179.01 177.97 1uul h TYR 194 N 0.00 0.29 0.00 2.06 3.20 -1.57 -3.29 116.97 117.66 1uul h TYR 194 Ca -0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1uul h TYR 194 Cb 0.62 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1uul h TYR 194 CO 0.00 0.99 0.00 1.19 -1.64 0.00 0.00 178.16 178.70 1uul n PHE 195 N -4.46 0.14 -2.47 -3.82 3.72 -1.10 -3.53 117.46 105.94 1uul n PHE 195 Ca -0.10 0.06 -0.40 0.00 -0.05 0.00 0.00 57.45 56.95 1uul n PHE 195 Cb 0.54 -0.59 -0.01 0.00 -0.94 0.00 0.00 39.48 38.48 1uul n PHE 195 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uul n GLY 196 N -0.18 2.33 0.00 1.37 0.00 -1.07 -5.13 105.19 102.52 1uul n GLY 196 Ca 0.03 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32