#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 -3.33 1.61 0.28 -1.21 -4.32 120.64 113.67 1uul n GLU 5 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.56 1uul n GLU 5 Cb 0.00 -0.63 -0.08 0.00 1.43 0.00 0.00 31.44 32.16 1uul n GLU 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uul s ALA 6 N -0.21 3.49 0.13 -1.84 0.00 -1.15 -4.71 121.76 117.46 1uul s ALA 6 Ca 0.00 -1.90 0.07 0.00 0.00 0.00 0.00 51.96 50.13 1uul s ALA 6 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1uul s ALA 6 CO 0.00 -1.74 -0.04 -1.21 0.00 0.00 0.00 175.76 172.77 1uul s GLU 7 N 1.95 2.33 0.35 0.00 2.02 -1.26 -5.02 118.70 119.07 1uul s GLU 7 Ca 0.08 -1.01 -0.27 0.00 0.02 0.00 0.00 54.97 53.79 1uul s GLU 7 Cb -0.21 -2.38 -0.09 0.00 0.10 0.00 0.00 34.13 31.54 1uul s GLU 7 CO 0.09 0.50 1.18 -0.51 0.02 0.00 0.00 175.26 176.54 1uul s ASP 8 N -2.51 6.79 -0.92 -0.19 1.01 -1.26 -3.16 116.67 116.43 1uul s ASP 8 Ca 0.25 2.41 0.00 0.00 0.71 0.00 0.00 52.55 55.92 1uul s ASP 8 Cb -0.11 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1uul s ASP 8 CO 0.17 -0.49 0.00 0.18 0.21 0.00 0.00 175.17 175.23 1uul n LEU 9 N 0.56 -1.02 -4.28 1.23 7.99 0.26 -4.97 117.00 116.78 1uul n LEU 9 Ca 0.02 0.13 -0.18 0.00 -0.01 0.00 0.00 56.01 55.96 1uul n LEU 9 Cb 0.45 -1.59 -0.11 0.00 -0.11 0.00 0.00 43.42 42.06 1uul n LEU 9 CO 0.54 -0.32 -0.45 -1.00 -1.51 0.00 0.00 177.39 174.65 1uul s HIS 10 N -2.40 1.53 0.10 -1.77 3.76 -1.19 -4.91 115.29 110.40 1uul s HIS 10 Ca 0.00 -0.57 -0.35 0.00 -0.15 0.00 0.00 55.06 54.00 1uul s HIS 10 Cb 0.00 -0.77 -0.14 0.00 1.11 0.00 0.00 32.58 32.78 1uul s HIS 10 CO 0.00 0.22 1.58 -2.30 -0.85 0.00 0.00 174.74 173.39 1uul n PRO 11 N 0.20 1.96 -1.79 8.40 -0.02 -1.26 -1.52 135.00 140.97 1uul n PRO 11 Ca -0.13 0.71 -0.39 0.00 -2.02 0.00 0.00 63.50 61.68 1uul n PRO 11 Cb 0.58 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.63 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 1.32 2.90 0.14 3.55 0.00 0.57 -4.78 121.76 125.46 1uul s ALA 12 Ca 0.82 1.36 -0.33 0.00 0.00 0.00 0.00 51.96 53.81 1uul s ALA 12 Cb -0.74 -3.57 -0.12 0.00 0.00 0.00 0.00 23.12 18.69 1uul s ALA 12 CO 0.42 -1.33 1.73 -2.30 0.00 0.00 0.00 175.76 174.27 1uul n PRO 13 N -0.87 2.52 -2.60 0.00 -0.02 -1.26 -4.92 135.00 127.85 1uul n PRO 13 Ca 0.09 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 62.08 1uul n PRO 13 Cb 0.44 -2.75 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 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 1.85 7.40 0.17 2.55 2.15 -1.26 -5.03 116.67 124.51 1uul s ASP 14 Ca 0.80 2.03 0.05 0.00 0.43 0.00 0.00 52.55 55.86 1uul s ASP 14 Cb -0.57 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.39 1uul s ASP 14 CO 0.38 -0.09 -0.10 0.72 -0.17 0.00 0.00 175.17 175.90 1uul s PHE 15 N -0.55 1.43 -0.46 -5.34 -0.12 -1.26 -5.02 117.98 106.66 1uul s PHE 15 Ca 0.46 -0.73 0.05 0.00 -0.05 0.00 0.00 56.93 56.66 1uul s PHE 15 Cb -0.28 -0.72 0.19 0.00 -0.63 0.00 0.00 43.02 41.58 1uul s PHE 15 CO 0.34 0.15 0.77 1.21 -0.05 0.00 0.00 175.22 177.64 1uul s ASN 16 N -3.23 -1.26 0.35 1.98 2.47 -1.25 -1.64 114.94 112.35 1uul s ASN 16 Ca 0.20 -1.21 0.04 0.00 0.42 0.00 0.00 52.86 52.31 1uul s ASN 16 Cb 0.02 1.64 -0.06 0.00 -1.45 0.00 0.00 41.25 41.39 1uul s ASN 16 CO 0.03 -0.08 0.05 -1.61 -3.72 0.00 0.00 177.10 171.78 1uul s GLU 17 N 1.22 1.74 0.37 0.43 0.41 -0.93 -4.87 118.70 117.07 1uul s GLU 17 Ca 0.24 -1.98 -0.27 0.00 -0.41 0.00 0.00 54.97 52.56 1uul s GLU 17 Cb 0.01 -1.03 -0.09 0.00 -1.78 0.00 0.00 34.13 31.23 1uul s GLU 17 CO -0.07 -0.17 1.24 0.99 -0.49 0.00 0.00 175.26 176.76 1uul s THR 18 N -3.16 2.90 0.05 3.63 2.01 -1.26 -0.15 115.64 119.66 1uul s THR 18 Ca 0.35 0.83 0.02 0.00 0.31 0.00 0.00 61.69 63.19 1uul s THR 18 Cb 0.09 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1uul s THR 18 CO 0.16 0.14 -0.07 0.00 -0.69 0.00 0.00 174.62 174.16 1uul s ALA 19 N -1.26 0.63 -0.43 7.40 0.00 0.13 -1.50 121.76 126.73 1uul s ALA 19 Ca 0.53 -0.92 -0.23 0.00 0.00 0.00 0.00 51.96 51.34 1uul s ALA 19 Cb -0.36 0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1uul s ALA 19 CO 0.46 -0.11 0.78 -1.17 0.00 0.00 0.00 175.76 175.72 1uul s LEU 20 N -2.02 4.23 0.54 0.00 2.96 -0.26 -2.06 118.68 122.06 1uul s LEU 20 Ca -0.04 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 1uul s LEU 20 Cb -0.05 -2.97 -0.07 0.00 0.50 0.00 0.00 46.19 43.60 1uul s LEU 20 CO -0.02 -0.87 1.00 -0.04 -1.32 0.00 0.00 176.35 175.10 1uul s MET 21 N 3.23 3.85 0.30 1.98 -1.94 -0.37 -1.71 119.30 124.64 1uul s MET 21 Ca 0.30 0.95 0.06 0.00 -1.71 0.00 0.00 55.69 55.29 1uul s MET 21 Cb -0.12 -2.12 0.79 0.00 2.01 0.00 0.00 34.83 35.38 1uul s MET 21 CO 0.21 -0.36 1.70 -1.35 -0.01 0.00 0.00 175.02 175.22 1uul h PRO 22 N 0.71 0.43 0.00 2.03 0.11 -1.77 0.18 132.00 133.70 1uul h PRO 22 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1uul h PRO 22 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1uul h PRO 22 CO 0.61 0.29 0.00 0.27 -0.21 0.00 0.00 178.00 178.96 1uul n ASN 23 N -5.00 0.00 0.00 -2.05 2.04 -1.26 -4.62 115.26 104.37 1uul n ASN 23 Ca 0.24 0.08 0.00 0.00 -0.44 0.00 0.00 54.58 54.46 1uul n ASN 23 Cb 0.69 -0.30 0.00 0.00 -2.53 0.00 0.00 39.78 37.64 1uul n ASN 23 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1uul n GLY 24 N 0.15 0.61 3.99 4.83 0.00 0.63 -5.09 105.19 110.30 1uul n GLY 24 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 2.11 -0.17 2.61 -4.23 -1.25 -4.83 115.64 107.89 1uul s THR 25 Ca 0.00 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1uul s THR 25 Cb 0.00 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1uul s THR 25 CO 0.00 0.00 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.56 1uul s PHE 26 N -3.21 2.78 0.05 3.99 0.08 -1.26 -1.24 117.98 119.17 1uul s PHE 26 Ca 0.67 -1.22 -0.07 0.00 0.12 0.00 0.00 56.93 56.43 1uul s PHE 26 Cb -0.05 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.49 1uul s PHE 26 CO 0.45 -0.58 0.14 0.21 -0.10 0.00 0.00 175.22 175.34 1uul s LYS 27 N 1.00 0.68 0.08 0.44 2.20 -0.88 -4.94 119.74 118.32 1uul s LYS 27 Ca -0.02 -0.79 -0.28 0.00 -0.36 0.00 0.00 55.97 54.53 1uul s LYS 27 Cb -0.15 0.27 -0.06 0.00 -1.51 0.00 0.00 37.83 36.39 1uul s LYS 27 CO -0.04 -0.19 0.87 0.15 -0.36 0.00 0.00 175.35 175.79 1uul s LYS 28 N -2.94 4.61 -0.09 4.03 -0.14 -1.26 0.22 119.74 124.17 1uul s LYS 28 Ca -0.02 1.27 0.03 0.00 -1.36 0.00 0.00 55.97 55.89 1uul s LYS 28 Cb 0.01 -3.37 -0.02 0.00 -1.68 0.00 0.00 37.83 32.77 1uul s LYS 28 CO -0.06 0.26 -0.17 0.08 -0.76 0.00 0.00 175.35 174.70 1uul s VAL 29 N -0.07 2.79 -0.02 3.17 1.01 0.79 -4.90 120.40 123.17 1uul s VAL 29 Ca 0.43 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1uul s VAL 29 Cb -0.22 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1uul s VAL 29 CO 0.27 0.56 -0.25 0.00 0.00 0.00 0.00 175.10 175.68 1uul s ALA 30 N -0.09 2.06 0.26 5.51 0.00 -1.26 -2.18 121.76 126.07 1uul s ALA 30 Ca -0.03 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 1uul s ALA 30 Cb -0.14 -0.52 0.55 0.00 0.00 0.00 0.00 23.12 23.01 1uul s ALA 30 CO 0.04 0.50 1.75 1.25 0.00 0.00 0.00 175.76 179.30 1uul h LEU 31 N 5.48 0.46 -2.46 0.00 5.85 -1.71 0.63 115.31 123.56 1uul h LEU 31 Ca -0.42 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1uul h LEU 31 Cb 1.13 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1uul h LEU 31 CO 0.47 0.17 0.09 0.71 -0.34 0.00 0.00 178.44 179.54 1uul h THR 32 N 0.56 0.00 0.00 1.05 1.35 -1.96 -0.43 112.91 113.48 1uul h THR 32 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 1uul h THR 32 Cb 0.71 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1uul h THR 32 CO -0.39 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 173.68 1uul n SER 33 N -2.88 0.65 -0.89 5.36 7.64 0.21 -1.61 113.62 122.11 1uul n SER 33 Ca -0.02 0.68 0.12 0.00 1.01 0.00 0.00 58.87 60.65 1uul n SER 33 Cb 0.15 -0.81 0.25 0.00 -1.01 0.00 0.00 64.21 62.78 1uul n SER 33 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1uul n TYR 34 N -2.24 0.19 -1.67 1.43 4.02 -0.17 -4.93 117.16 113.79 1uul n TYR 34 Ca 0.02 -0.09 -0.51 0.00 -0.01 0.00 0.00 57.90 57.30 1uul n TYR 34 Cb 0.20 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.47 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 1.06 1.70 0.00 -0.72 4.81 -0.64 -0.21 118.16 124.15 1uul n LYS 35 Ca 0.17 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1uul n LYS 35 Cb 0.52 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.21 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 3.74 3.17 3.74 3.14 0.00 -0.71 -5.06 105.19 113.21 1uul n GLY 36 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.77 2.25 0.21 1.61 -0.14 0.71 -4.77 119.74 118.82 1uul s LYS 37 Ca 0.00 -1.81 -0.13 0.00 -1.36 0.00 0.00 55.97 52.67 1uul s LYS 37 Cb 0.00 -2.01 -0.07 0.00 -1.68 0.00 0.00 37.83 34.07 1uul s LYS 37 CO 0.00 -0.11 0.58 -1.58 -0.76 0.00 0.00 175.35 173.48 1uul s TRP 38 N -2.59 3.50 -0.02 3.18 0.52 -0.31 -2.61 118.94 120.61 1uul s TRP 38 Ca 0.41 1.01 0.04 0.00 0.02 0.00 0.00 56.10 57.58 1uul s TRP 38 Cb 0.03 -2.35 -0.01 0.00 -1.15 0.00 0.00 33.47 29.99 1uul s TRP 38 CO 0.23 0.32 -0.13 -1.17 0.02 0.00 0.00 176.95 176.22 1uul s LEU 39 N -2.45 1.95 -0.37 2.99 2.96 -0.31 0.11 118.68 123.56 1uul s LEU 39 Ca 0.44 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1uul s LEU 39 Cb -0.13 -0.69 0.07 0.00 0.50 0.00 0.00 46.19 45.94 1uul s LEU 39 CO 0.20 0.14 0.14 -0.69 -1.32 0.00 0.00 176.35 174.82 1uul s VAL 40 N -0.14 3.54 -0.19 1.68 1.01 -0.39 -0.59 120.40 125.32 1uul s VAL 40 Ca 0.02 -1.51 -0.16 0.00 0.00 0.00 0.00 61.98 60.33 1uul s VAL 40 Cb -0.07 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1uul s VAL 40 CO 0.00 -0.37 0.39 -0.22 0.00 0.00 0.00 175.10 174.89 1uul s LEU 41 N 1.30 4.17 -0.02 3.92 2.96 -0.20 -1.18 118.68 129.63 1uul s LEU 41 Ca 0.01 0.52 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 1uul s LEU 41 Cb -0.21 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 43.97 1uul s LEU 41 CO -0.00 -0.05 -0.09 0.72 -1.32 0.00 0.00 176.35 175.60 1uul s PHE 42 N 1.19 0.90 0.08 5.38 -0.71 -0.23 -0.05 117.98 124.53 1uul s PHE 42 Ca 0.19 -0.20 0.00 0.00 -1.04 0.00 0.00 56.93 55.88 1uul s PHE 42 Cb -0.15 -0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 1uul s PHE 42 CO 0.08 -0.07 0.24 -0.06 -1.34 0.00 0.00 175.22 174.07 1uul s PHE 43 N 0.06 3.51 0.04 3.49 0.40 0.57 -1.25 117.98 124.80 1uul s PHE 43 Ca -0.01 0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.56 1uul s PHE 43 Cb -0.07 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 1uul s PHE 43 CO 0.00 0.56 -0.01 1.52 0.70 0.00 0.00 175.22 177.99 1uul s TYR 44 N -1.57 0.43 -0.02 0.36 -0.85 -0.73 -3.69 117.35 111.28 1uul s TYR 44 Ca 0.35 -0.90 -0.22 0.00 -0.52 0.00 0.00 57.07 55.78 1uul s TYR 44 Cb -0.13 -0.32 -0.15 0.00 0.38 0.00 0.00 41.96 41.75 1uul s TYR 44 CO 0.28 -0.35 1.00 -1.35 -1.52 0.00 0.00 175.55 173.61 1uul h PRO 45 N 3.47 -0.41 -2.80 -3.49 0.11 -1.82 -3.41 132.00 123.66 1uul h PRO 45 Ca -0.33 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 1uul h PRO 45 Cb 1.16 0.09 -0.27 0.00 0.11 0.00 0.00 31.00 32.09 1uul h PRO 45 CO 0.60 -0.07 -0.35 -1.64 -0.21 0.00 0.00 178.00 176.33 1uul s MET 46 N -4.02 0.35 0.84 1.05 -1.94 -1.26 -4.35 119.30 109.96 1uul s MET 46 Ca -0.13 0.64 -0.13 0.00 -1.71 0.00 0.00 55.69 54.37 1uul s MET 46 Cb 0.01 0.01 0.10 0.00 2.01 0.00 0.00 34.83 36.96 1uul s MET 46 CO 0.46 -0.13 1.17 -0.25 -0.01 0.00 0.00 175.02 176.26 1uul n ASP 47 N 3.89 0.79 -1.50 3.03 8.00 -1.26 -3.21 116.55 126.29 1uul n ASP 47 Ca -0.21 0.54 -0.17 0.00 0.71 0.00 0.00 54.79 55.67 1uul n ASP 47 Cb 0.55 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.12 40.11 1uul n ASP 47 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1uul n PHE 48 N -3.53 -0.29 -0.15 1.24 3.72 -1.26 -4.99 117.46 112.20 1uul n PHE 48 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1uul n PHE 48 Cb 0.51 -3.06 0.00 0.00 -0.94 0.00 0.00 39.48 35.99 1uul n PHE 48 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1uul n THR 49 N -3.06 0.00 0.03 4.37 -2.24 -1.20 -5.13 114.28 107.06 1uul n THR 49 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1uul n THR 49 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.10 -0.26 4.78 3.72 -1.26 -4.61 117.46 119.72 1uul n PHE 50 Ca 0.00 0.02 -0.04 0.00 -0.05 0.00 0.00 57.45 57.37 1uul n PHE 50 Cb 0.00 0.04 0.11 0.00 -0.94 0.00 0.00 39.48 38.68 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 -0.79 -4.37 2.07 -1.95 -3.30 116.25 109.16 1uul h VAL 51 Ca 0.00 -0.77 0.15 0.00 0.82 0.00 0.00 66.70 66.91 1uul h VAL 51 Cb 0.00 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 29.99 1uul h VAL 51 CO 0.00 0.32 0.33 0.00 0.02 0.00 0.00 177.57 178.23 1uul h PRO 53 N 0.46 0.42 -0.98 0.00 0.11 -1.82 0.13 132.00 130.32 1uul h PRO 53 Ca 0.44 -0.09 0.07 0.00 0.11 0.00 0.00 66.00 66.54 1uul h PRO 53 Cb 0.69 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.67 1uul h PRO 53 CO -0.42 0.47 0.63 1.79 -0.21 0.00 0.00 178.00 180.27 1uul h THR 54 N 0.28 1.06 0.29 -1.15 1.35 -1.56 0.39 112.91 113.56 1uul h THR 54 Ca 0.09 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 1uul h THR 54 Cb 0.23 -0.16 0.00 0.00 -1.73 0.00 0.00 68.15 66.49 1uul h THR 54 CO -0.00 0.20 -0.14 -0.33 -0.25 0.00 0.00 175.52 175.00 1uul h GLU 55 N 1.12 -0.38 -0.48 4.72 5.08 -1.09 -2.43 114.58 121.12 1uul h GLU 55 Ca 0.43 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.86 1uul h GLU 55 Cb 0.22 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1uul h GLU 55 CO -0.18 -0.03 0.25 0.82 -1.00 0.00 0.00 179.01 178.87 1uul h ILE 56 N -0.81 0.98 -0.46 3.13 2.04 -0.36 -1.78 117.51 120.24 1uul h ILE 56 Ca -0.04 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1uul h ILE 56 Cb 0.51 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1uul h ILE 56 CO 0.07 0.09 0.22 0.00 0.00 0.00 0.00 178.15 178.53 1uul h GLN 58 N 0.60 -0.05 -0.54 0.00 1.08 -1.19 0.64 115.11 115.65 1uul h GLN 58 Ca 0.16 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1uul h GLN 58 Cb 0.12 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1uul h GLN 58 CO -0.02 -0.03 0.36 0.74 -0.95 0.00 0.00 178.83 178.93 1uul h PHE 59 N -0.05 0.63 -0.21 2.96 0.04 -0.90 -1.11 116.94 118.30 1uul h PHE 59 Ca 0.10 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.71 1uul h PHE 59 Cb 0.20 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1uul h PHE 59 CO -0.23 0.38 -0.54 1.03 -0.60 0.00 0.00 178.31 178.35 1uul h SER 60 N 0.67 0.84 -0.41 2.17 0.87 0.01 -2.80 113.55 114.90 1uul h SER 60 Ca 0.21 -0.57 -0.07 0.00 -1.23 0.00 0.00 61.79 60.13 1uul h SER 60 Cb 0.02 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1uul h SER 60 CO -0.05 1.26 0.01 0.44 -0.53 0.00 0.00 176.83 177.95 1uul h ASP 61 N 0.47 0.78 -0.52 6.23 3.32 0.12 -3.01 116.42 123.81 1uul h ASP 61 Ca -0.01 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1uul h ASP 61 Cb 1.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1uul h ASP 61 CO 0.12 0.84 0.00 0.54 -1.72 0.00 0.00 179.24 179.02 1uul n ARG 62 N -4.22 4.20 -0.28 3.56 1.74 -0.52 -4.63 116.66 116.51 1uul n ARG 62 Ca 0.03 -2.72 -0.04 0.00 -0.77 0.00 0.00 57.85 54.35 1uul n ARG 62 Cb 0.30 -2.10 0.01 0.00 -1.02 0.00 0.00 32.46 29.65 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 3.55 0.08 -1.04 1.55 2.07 -1.35 0.18 116.25 121.29 1uul h VAL 63 Ca 0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 1uul h VAL 63 Cb 1.69 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 1uul h VAL 63 CO 0.38 0.00 0.65 0.11 0.02 0.00 0.00 177.57 178.74 1uul h LYS 64 N -0.10 0.43 0.00 1.57 6.56 -1.87 0.37 116.57 123.53 1uul h LYS 64 Ca 0.27 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.83 1uul h LYS 64 Cb 0.57 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1uul h LYS 64 CO -0.82 0.28 -0.01 0.93 -2.06 0.00 0.00 179.45 177.77 1uul h GLU 65 N 0.44 0.00 0.14 3.15 5.08 -1.00 0.31 114.58 122.70 1uul h GLU 65 Ca 0.62 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.61 1uul h GLU 65 Cb 1.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1uul h GLU 65 CO -0.35 0.01 -1.96 0.74 -1.00 0.00 0.00 179.01 176.46 1uul h PHE 66 N 0.00 0.52 -0.17 4.33 0.04 -0.37 -3.38 116.94 117.91 1uul h PHE 66 Ca -0.00 -0.38 -0.12 0.00 2.80 0.00 0.00 57.97 60.27 1uul h PHE 66 Cb 0.03 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1uul h PHE 66 CO 0.00 1.76 -0.42 1.03 -0.60 0.00 0.00 178.31 180.08 1uul h SER 67 N 0.08 0.42 0.15 2.17 0.87 0.00 -1.37 113.55 115.87 1uul h SER 67 Ca -0.41 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 59.96 1uul h SER 67 Cb 2.05 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.89 1uul h SER 67 CO 0.10 0.79 -0.04 0.44 -0.53 0.00 0.00 176.83 177.60 1uul h ASP 68 N 0.33 0.00 -0.48 6.23 3.32 -0.60 -2.22 116.42 123.00 1uul h ASP 68 Ca 0.03 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.88 1uul h ASP 68 Cb 0.88 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.31 1uul h ASP 68 CO 0.07 0.04 0.09 2.30 -1.72 0.00 0.00 179.24 180.02 1uul n ILE 69 N -3.64 2.65 -1.99 0.35 -6.64 -0.76 -4.94 119.36 104.38 1uul n ILE 69 Ca -0.03 -2.31 -0.02 0.00 -1.77 0.00 0.00 62.75 58.62 1uul n ILE 69 Cb 0.14 -0.34 -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 -0.90 0.29 2.96 3.28 0.00 -0.83 -4.94 105.19 105.06 1uul n GLY 70 Ca 0.36 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 1.03 3.40 0.03 0.00 0.41 0.12 -2.86 118.70 120.83 1uul s GLU 72 Ca -0.08 -0.43 0.04 0.00 -0.41 0.00 0.00 54.97 54.09 1uul s GLU 72 Cb -0.15 -2.68 -0.02 0.00 -1.78 0.00 0.00 34.13 29.51 1uul s GLU 72 CO -0.00 0.12 -0.12 0.14 -0.49 0.00 0.00 175.26 174.90 1uul s VAL 73 N -2.31 0.97 -0.04 2.63 -7.23 -1.26 -1.26 120.40 111.91 1uul s VAL 73 Ca 0.41 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 1uul s VAL 73 Cb -0.10 -0.88 0.03 0.00 0.56 0.00 0.00 36.38 35.99 1uul s VAL 73 CO 0.35 0.01 0.07 -0.22 -0.31 0.00 0.00 175.10 174.99 1uul s LEU 74 N -0.99 0.73 0.30 1.32 2.96 -0.33 -4.45 118.68 118.22 1uul s LEU 74 Ca 0.01 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1uul s LEU 74 Cb -0.07 0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.61 1uul s LEU 74 CO 0.01 -0.17 0.43 0.00 -1.32 0.00 0.00 176.35 175.30 1uul s ALA 75 N 1.41 4.05 -0.22 5.97 0.00 -0.99 -1.07 121.76 130.92 1uul s ALA 75 Ca -0.05 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 50.37 1uul s ALA 75 Cb -0.12 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.31 1uul s ALA 75 CO -0.04 0.08 0.64 0.00 0.00 0.00 0.00 175.76 176.44 1uul s SER 77 N 0.15 -0.26 0.52 0.00 1.04 -1.06 -1.78 113.70 112.31 1uul s SER 77 Ca -0.01 -0.60 0.25 0.00 0.48 0.00 0.00 55.95 56.07 1uul s SER 77 Cb -0.04 0.70 1.44 0.00 0.10 0.00 0.00 66.02 68.22 1uul s SER 77 CO 0.02 -1.28 2.11 -0.03 0.98 0.00 0.00 173.24 175.03 1uul h MET 78 N 2.04 0.00 -7.33 4.02 4.05 -1.79 0.63 114.93 116.55 1uul h MET 78 Ca -0.21 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.70 1uul h MET 78 Cb 1.26 0.00 0.12 0.00 -0.80 0.00 0.00 31.60 32.18 1uul h MET 78 CO 0.26 0.10 0.32 -0.51 0.23 0.00 0.00 176.91 177.31 1uul s ASP 79 N -6.39 4.54 0.73 1.39 1.01 -1.26 -4.08 116.67 112.61 1uul s ASP 79 Ca -0.04 1.66 -0.11 0.00 0.71 0.00 0.00 52.55 54.77 1uul s ASP 79 Cb 0.14 -2.40 0.03 0.00 1.01 0.00 0.00 42.92 41.70 1uul s ASP 79 CO 0.60 -1.99 1.09 -0.94 0.21 0.00 0.00 175.17 174.15 1uul s SER 80 N -3.55 5.17 0.23 0.27 1.04 -1.26 -4.18 113.70 111.41 1uul s SER 80 Ca 0.61 1.25 -0.06 0.00 0.48 0.00 0.00 55.95 58.22 1uul s SER 80 Cb -0.16 -2.05 0.36 0.00 0.10 0.00 0.00 66.02 64.27 1uul s SER 80 CO 0.56 -1.53 1.78 1.05 0.98 0.00 0.00 173.24 176.08 1uul h GLU 81 N -0.79 0.62 -0.73 4.02 4.11 -1.93 -0.46 114.58 119.43 1uul h GLU 81 Ca -0.45 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 58.88 1uul h GLU 81 Cb 1.25 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1uul h GLU 81 CO 0.62 0.41 0.22 1.88 0.07 0.00 0.00 179.01 182.21 1uul h TYR 82 N 0.64 1.17 -0.37 2.06 -1.99 -1.99 0.12 116.97 116.61 1uul h TYR 82 Ca 0.37 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1uul h TYR 82 Cb 0.38 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 1uul h TYR 82 CO -0.10 0.93 0.24 1.03 -0.00 0.00 0.00 178.16 180.26 1uul h SER 83 N 1.08 0.44 -0.11 3.88 0.87 -1.72 0.96 113.55 118.96 1uul h SER 83 Ca 0.23 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1uul h SER 83 Cb 0.31 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 1uul h SER 83 CO -0.01 0.33 -0.24 0.45 -0.53 0.00 0.00 176.83 176.84 1uul h HIS 84 N 0.50 -0.64 -0.21 2.24 3.86 -0.07 -0.64 115.15 120.20 1uul h HIS 84 Ca 0.14 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 1uul h HIS 84 Cb -0.03 0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.69 1uul h HIS 84 CO -0.05 -0.32 -0.09 1.25 0.86 0.00 0.00 177.93 179.58 1uul h LEU 85 N -0.32 -0.30 -0.42 2.43 5.85 -0.47 0.59 115.31 122.67 1uul h LEU 85 Ca 0.09 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1uul h LEU 85 Cb 0.45 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 1uul h LEU 85 CO -0.29 -0.12 -0.02 0.00 -0.34 0.00 0.00 178.44 177.68 1uul h ALA 86 N 1.12 0.37 -0.34 1.25 0.00 -0.18 0.26 119.26 121.75 1uul h ALA 86 Ca 0.11 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1uul h ALA 86 Cb 0.22 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1uul h ALA 86 CO -0.25 -0.40 0.19 2.35 0.00 0.00 0.00 179.25 181.14 1uul h TRP 87 N 0.09 0.45 0.00 0.00 7.01 0.07 0.11 115.95 123.68 1uul h TRP 87 Ca 0.21 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 1uul h TRP 87 Cb 0.30 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1uul h TRP 87 CO -0.29 0.31 -0.17 0.00 -2.79 0.00 0.00 178.44 175.50 1uul h THR 88 N 0.47 0.51 0.00 2.65 1.03 0.17 -2.58 112.91 115.16 1uul h THR 88 Ca 0.12 -0.85 0.00 0.00 -0.01 0.00 0.00 66.41 65.68 1uul h THR 88 Cb 0.01 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 1uul h THR 88 CO -0.02 0.16 -0.24 -1.20 -0.01 0.00 0.00 175.52 174.21 1uul n SER 89 N -3.45 0.74 -4.91 0.00 7.64 0.02 -2.96 113.62 110.70 1uul n SER 89 Ca -0.01 0.39 -0.32 0.00 1.01 0.00 0.00 58.87 59.94 1uul n SER 89 Cb 0.34 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.09 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 -3.12 5.30 0.40 0.44 -5.25 -1.00 -4.94 121.20 113.03 1uul s ILE 90 Ca 0.09 -0.18 -0.25 0.00 -0.99 0.00 0.00 60.65 59.33 1uul s ILE 90 Cb 0.13 -3.62 -0.09 0.00 2.95 0.00 0.00 42.46 41.84 1uul s ILE 90 CO 0.64 0.13 1.10 -1.61 -1.79 0.00 0.00 174.94 173.41 1uul s GLU 91 N -2.48 4.13 0.29 0.37 2.02 -1.26 -2.48 118.70 119.28 1uul s GLU 91 Ca 0.36 1.64 0.04 0.00 0.02 0.00 0.00 54.97 57.04 1uul s GLU 91 Cb -0.13 -2.61 0.70 0.00 0.10 0.00 0.00 34.13 32.19 1uul s GLU 91 CO 0.25 -0.20 1.75 0.00 0.02 0.00 0.00 175.26 177.08 1uul h ARG 92 N 2.59 0.59 0.00 1.61 3.08 -1.84 0.27 114.38 120.68 1uul h ARG 92 Ca -0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1uul h ARG 92 Cb 1.22 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1uul h ARG 92 CO 0.62 0.39 0.00 0.36 -1.07 0.00 0.00 179.97 180.27 1uul n LYS 93 N -4.88 0.01 -0.17 0.04 2.85 -1.26 -0.33 118.16 114.41 1uul n LYS 93 Ca 0.22 0.41 0.07 0.00 -1.05 0.00 0.00 58.31 57.96 1uul n LYS 93 Cb 0.58 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.60 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 -1.48 2.30 -0.37 -1.58 1.74 0.85 -4.94 116.66 113.18 1uul n ARG 94 Ca 0.01 -2.36 0.00 0.00 -0.77 0.00 0.00 57.85 54.73 1uul n ARG 94 Cb 0.04 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 -0.72 0.81 1.39 -0.13 0.00 0.56 -4.94 105.19 102.15 1uul n GLY 95 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.20 0.09 -0.02 0.00 -0.54 -4.86 105.19 97.28 1uul n GLY 96 Ca 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 0.61 0.00 0.99 4.32 -1.01 -4.02 117.00 117.89 1uul n LEU 97 Ca 0.06 -0.02 0.04 0.00 -0.02 0.00 0.00 56.01 56.06 1uul n LEU 97 Cb 0.21 0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 42.18 1uul n LEU 97 CO 0.15 0.52 -0.05 0.61 -1.22 0.00 0.00 177.39 177.40 1uul n GLY 98 N 2.03 -1.62 3.72 -0.72 0.00 -1.04 -4.68 105.19 102.88 1uul n GLY 98 Ca -0.31 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1uul n GLY 98 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1uul n GLN 99 N -1.74 2.34 -4.33 1.61 7.27 -1.26 -4.72 117.38 116.54 1uul n GLN 99 Ca 0.00 0.83 -0.32 0.00 0.07 0.00 0.00 57.00 57.57 1uul n GLN 99 Cb 0.13 -2.51 -0.09 0.00 2.41 0.00 0.00 30.24 30.18 1uul n GLN 99 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1uul s MET 100 N -1.14 2.72 0.00 3.69 -1.94 -1.26 -5.01 119.30 116.36 1uul s MET 100 Ca 0.61 -0.64 0.19 0.00 -1.71 0.00 0.00 55.69 54.14 1uul s MET 100 Cb -0.56 -2.62 0.45 0.00 2.01 0.00 0.00 34.83 34.11 1uul s MET 100 CO 0.55 0.62 1.37 0.09 -0.01 0.00 0.00 175.02 177.64 1uul n ASN 101 N 1.44 3.40 -4.19 3.03 5.03 -1.26 -4.40 115.26 118.32 1uul n ASN 101 Ca -0.15 -1.96 -0.28 0.00 0.87 0.00 0.00 54.58 53.07 1uul n ASN 101 Cb 0.53 -0.31 -0.16 0.00 -1.02 0.00 0.00 39.78 38.82 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 -1.18 1.67 0.67 2.41 1.09 -1.26 -4.87 121.20 119.73 1uul s ILE 102 Ca 0.37 -0.86 -0.14 0.00 -1.10 0.00 0.00 60.65 58.92 1uul s ILE 102 Cb 0.20 -1.41 0.00 0.00 -1.06 0.00 0.00 42.46 40.19 1uul s ILE 102 CO 0.28 0.47 1.09 -2.84 -0.10 0.00 0.00 174.94 173.84 1uul s PRO 103 N -0.12 2.81 -0.19 2.79 0.02 -1.26 -4.37 135.00 134.67 1uul s PRO 103 Ca -0.02 1.29 -0.01 0.00 0.02 0.00 0.00 61.00 62.29 1uul s PRO 103 Cb -0.12 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.50 1uul s PRO 103 CO 0.02 -1.23 -0.02 0.42 -0.33 0.00 0.00 177.00 175.86 1uul s ILE 104 N -2.50 1.00 0.59 2.83 1.01 -0.69 -2.33 121.20 121.11 1uul s ILE 104 Ca 0.65 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 1uul s ILE 104 Cb -0.19 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1uul s ILE 104 CO 0.44 -0.03 1.12 -0.76 0.00 0.00 0.00 174.94 175.71 1uul s LEU 105 N 1.66 3.59 -0.51 2.97 1.43 0.24 -1.10 118.68 126.95 1uul s LEU 105 Ca -0.01 2.08 0.04 0.00 -1.03 0.00 0.00 54.13 55.21 1uul s LEU 105 Cb -0.17 -4.57 0.13 0.00 0.03 0.00 0.00 46.19 41.62 1uul s LEU 105 CO -0.07 -1.38 0.25 0.00 0.23 0.00 0.00 176.35 175.38 1uul s ALA 106 N -2.05 3.28 -1.19 4.21 0.00 -0.56 -2.57 121.76 122.89 1uul s ALA 106 Ca 0.70 -3.23 -0.11 0.00 0.00 0.00 0.00 51.96 49.32 1uul s ALA 106 Cb -0.22 -2.15 0.21 0.00 0.00 0.00 0.00 23.12 20.97 1uul s ALA 106 CO 0.33 -2.00 1.42 -0.40 0.00 0.00 0.00 175.76 175.11 1uul n ASP 107 N 3.18 5.38 0.11 0.00 5.75 0.21 -4.65 116.55 126.54 1uul n ASP 107 Ca 0.05 -3.05 0.16 0.00 -0.01 0.00 0.00 54.79 51.94 1uul n ASP 107 Cb 0.33 -1.48 0.70 0.00 -1.03 0.00 0.00 41.12 39.63 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 6.67 0.00 0.00 0.11 1.57 -1.81 0.20 116.57 123.31 1uul h LYS 108 Ca 0.28 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1uul h LYS 108 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1uul h LYS 108 CO 1.24 0.00 -0.32 1.79 -0.57 0.00 0.00 179.45 181.60 1uul h THR 109 N 0.00 0.55 -0.09 -0.16 1.35 -1.91 -3.47 112.91 109.19 1uul h THR 109 Ca 0.15 -1.76 -0.04 0.00 -0.55 0.00 0.00 66.41 64.22 1uul h THR 109 Cb 0.64 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1uul h THR 109 CO -0.00 0.31 -0.03 0.29 -0.25 0.00 0.00 175.52 175.84 1uul n LYS 110 N -3.19 -0.69 -0.23 4.72 5.02 0.71 -4.92 118.16 119.60 1uul n LYS 110 Ca 0.03 0.32 -0.08 0.00 -2.02 0.00 0.00 58.31 56.55 1uul n LYS 110 Cb 0.65 -3.94 0.03 0.00 -0.02 0.00 0.00 35.03 31.76 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 1.00 0.82 -0.90 0.00 2.04 -1.91 0.20 117.51 118.76 1uul h ILE 112 Ca 0.19 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1uul h ILE 112 Cb 0.48 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1uul h ILE 112 CO 0.02 0.04 0.58 0.24 0.00 0.00 0.00 178.15 179.03 1uul h MET 113 N -0.38 1.06 -0.39 2.37 2.86 -1.93 -1.34 114.93 117.18 1uul h MET 113 Ca -0.03 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1uul h MET 113 Cb 0.29 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 1uul h MET 113 CO 0.05 0.70 0.16 0.87 1.06 0.00 0.00 176.91 179.75 1uul h LYS 114 N 1.09 0.32 -0.87 1.72 1.57 -1.00 -1.17 116.57 118.24 1uul h LYS 114 Ca 0.37 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.23 1uul h LYS 114 Cb 0.07 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1uul h LYS 114 CO -0.14 0.21 0.56 0.77 -0.57 0.00 0.00 179.45 180.28 1uul h SER 115 N 0.33 0.75 -0.43 0.86 0.02 0.09 -0.77 113.55 114.41 1uul h SER 115 Ca 0.18 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1uul h SER 115 Cb 0.13 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1uul h SER 115 CO -0.16 0.44 0.00 -1.22 -1.14 0.00 0.00 176.83 174.75 1uul n TYR 116 N -4.53 0.56 -3.19 3.45 4.02 -0.65 -2.94 117.16 113.88 1uul n TYR 116 Ca 0.15 -0.28 -0.21 0.00 -0.01 0.00 0.00 57.90 57.54 1uul n TYR 116 Cb 0.33 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.70 1uul n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uul n GLY 117 N 1.31 -0.43 0.16 2.72 0.00 -0.29 -4.78 105.19 103.88 1uul n GLY 117 Ca 0.17 0.11 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 1.58 -2.76 1.61 0.24 -0.83 -4.66 118.33 108.91 1uul n VAL 118 Ca -0.06 -1.92 -0.41 0.00 -2.04 0.00 0.00 64.34 59.91 1uul n VAL 118 Cb 0.59 -0.11 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 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 -2.41 4.52 -0.47 1.34 0.20 -1.25 -0.49 118.68 120.13 1uul s LEU 119 Ca 0.27 1.78 -0.13 0.00 0.69 0.00 0.00 54.13 56.74 1uul s LEU 119 Cb 0.24 -3.55 0.09 0.00 -0.43 0.00 0.00 46.19 42.53 1uul s LEU 119 CO 0.02 -0.01 0.37 -1.59 -0.29 0.00 0.00 176.35 174.85 1uul s LYS 120 N -0.23 2.84 0.43 1.98 -2.85 0.72 -4.88 119.74 117.75 1uul s LYS 120 Ca 0.45 -1.48 0.17 0.00 -1.00 0.00 0.00 55.97 54.12 1uul s LYS 120 Cb -0.23 -4.05 1.10 0.00 -2.06 0.00 0.00 37.83 32.58 1uul s LYS 120 CO 0.29 -1.07 1.90 1.05 0.10 0.00 0.00 175.35 177.62 1uul h GLU 121 N 8.66 0.37 -0.25 1.78 4.11 -1.95 -0.14 114.58 127.17 1uul h GLU 121 Ca -0.27 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.09 1uul h GLU 121 Cb 1.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1uul h GLU 121 CO 0.87 0.24 -0.08 1.05 0.07 0.00 0.00 179.01 181.16 1uul h GLU 122 N 0.38 0.40 0.00 1.06 9.09 -1.96 -3.32 114.58 120.23 1uul h GLU 122 Ca 0.41 -0.09 0.00 0.00 0.05 0.00 0.00 59.36 59.72 1uul h GLU 122 Cb 1.02 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 1uul h GLU 122 CO -0.13 0.49 -0.98 -0.25 0.05 0.00 0.00 179.01 178.20 1uul n ASP 123 N -4.26 2.06 0.00 3.06 8.00 -0.56 -5.02 116.55 119.83 1uul n ASP 123 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1uul n ASP 123 Cb 0.27 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.60 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 1.70 0.64 3.46 0.44 0.00 -0.17 -5.04 105.19 106.22 1uul n GLY 124 Ca -0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 1.29 0.05 1.61 -7.23 -1.24 -4.88 120.40 108.00 1uul s VAL 125 Ca 0.00 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.05 1uul s VAL 125 Cb 0.00 -2.77 -0.06 0.00 0.56 0.00 0.00 36.38 34.12 1uul s VAL 125 CO 0.00 -0.04 0.38 0.00 -0.31 0.00 0.00 175.10 175.14 1uul s ALA 126 N -3.23 3.73 0.95 1.32 0.00 -1.26 -0.20 121.76 123.08 1uul s ALA 126 Ca 0.36 -0.37 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 1uul s ALA 126 Cb 0.08 -2.27 0.16 0.00 0.00 0.00 0.00 23.12 21.10 1uul s ALA 126 CO 0.15 0.56 1.13 0.71 0.00 0.00 0.00 175.76 178.31 1uul s TYR 127 N -1.32 2.27 -1.18 0.00 4.12 0.36 -3.02 117.35 118.58 1uul s TYR 127 Ca 0.30 0.85 -0.17 0.00 0.02 0.00 0.00 57.07 58.07 1uul s TYR 127 Cb -0.14 -3.38 -0.05 0.00 -1.52 0.00 0.00 41.96 36.87 1uul s TYR 127 CO 0.17 -2.61 2.14 0.54 0.02 0.00 0.00 175.55 175.81 1uul n ARG 128 N -3.94 2.34 -3.16 -0.62 1.74 -0.90 -4.37 116.66 107.75 1uul n ARG 128 Ca 0.07 -2.25 -0.37 0.00 -0.77 0.00 0.00 57.85 54.53 1uul n ARG 128 Cb 0.59 -3.09 -0.06 0.00 -1.02 0.00 0.00 32.46 28.87 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 3.86 2.65 -0.04 -0.13 0.00 -1.24 -1.65 107.32 110.76 1uul s GLY 129 Ca 0.52 0.11 0.01 0.00 0.00 0.00 0.00 44.72 45.36 1uul s GLY 129 CO -0.01 0.50 -0.04 -2.27 0.00 0.00 0.00 173.10 171.28 1uul s LEU 130 N -1.66 1.32 0.02 0.66 0.20 0.28 -0.31 118.68 119.18 1uul s LEU 130 Ca 0.38 -0.12 0.04 0.00 0.69 0.00 0.00 54.13 55.13 1uul s LEU 130 Cb -0.18 -0.43 -0.02 0.00 -0.43 0.00 0.00 46.19 45.14 1uul s LEU 130 CO 0.21 -0.06 -0.13 -0.36 -0.29 0.00 0.00 176.35 175.72 1uul s PHE 131 N 0.91 1.17 -0.33 5.38 0.40 0.92 -0.69 117.98 125.74 1uul s PHE 131 Ca -0.11 -0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 55.86 1uul s PHE 131 Cb -0.14 -0.71 0.04 0.00 0.51 0.00 0.00 43.02 42.71 1uul s PHE 131 CO 0.00 0.01 0.09 0.42 0.70 0.00 0.00 175.22 176.44 1uul s ILE 132 N -0.65 3.71 0.02 0.64 1.01 -0.94 -1.03 121.20 123.96 1uul s ILE 132 Ca 0.02 -1.10 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 1uul s ILE 132 Cb -0.07 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1uul s ILE 132 CO 0.01 -0.13 0.35 -0.63 0.00 0.00 0.00 174.94 174.54 1uul s ILE 133 N 1.40 5.15 0.52 2.92 -1.09 0.24 -1.01 121.20 129.33 1uul s ILE 133 Ca -0.02 0.50 0.07 0.00 -2.23 0.00 0.00 60.65 58.97 1uul s ILE 133 Cb -0.19 -3.63 0.05 0.00 -1.58 0.00 0.00 42.46 37.11 1uul s ILE 133 CO 0.02 0.43 0.71 1.51 -1.23 0.00 0.00 174.94 176.38 1uul s ASP 134 N -1.46 5.29 0.61 3.58 1.47 -0.55 -1.17 116.67 124.44 1uul s ASP 134 Ca 0.27 -0.49 0.29 0.00 1.18 0.00 0.00 52.55 53.80 1uul s ASP 134 Cb -0.14 -0.32 1.50 0.00 -0.34 0.00 0.00 42.92 43.61 1uul s ASP 134 CO 0.15 -1.11 1.90 -0.65 0.68 0.00 0.00 175.17 176.14 1uul h PRO 135 N 0.29 0.00 -0.56 2.11 0.11 -1.80 0.86 132.00 133.02 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 0.44 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.86 1uul n LYS 136 N -3.53 2.46 -1.96 1.05 5.02 -1.26 -1.74 118.16 118.20 1uul n LYS 136 Ca 0.06 -1.97 -0.10 0.00 -2.02 0.00 0.00 58.31 54.28 1uul n LYS 136 Cb 0.59 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.08 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 0.97 -0.77 -3.96 1.97 6.02 0.30 -4.97 117.38 116.94 1uul n GLN 137 Ca 0.18 0.57 -0.35 0.00 -0.01 0.00 0.00 57.00 57.40 1uul n GLN 137 Cb 0.52 -4.59 -0.06 0.00 1.02 0.00 0.00 30.24 27.13 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 -2.64 6.20 0.10 1.08 0.01 -1.25 -0.31 114.94 118.12 1uul s ASN 138 Ca 0.00 0.35 -0.30 0.00 -0.71 0.00 0.00 52.86 52.20 1uul s ASN 138 Cb 0.00 -1.94 -0.06 0.00 0.41 0.00 0.00 41.25 39.66 1uul s ASN 138 CO 0.00 0.33 1.20 -0.22 -1.51 0.00 0.00 177.10 176.90 1uul s LEU 139 N -1.47 4.40 0.00 0.60 2.96 -0.57 -1.49 118.68 123.11 1uul s LEU 139 Ca 0.21 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 1uul s LEU 139 Cb -0.12 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1uul s LEU 139 CO 0.11 -0.44 0.04 0.54 -1.32 0.00 0.00 176.35 175.29 1uul n ARG 140 N 3.50 3.30 -3.72 1.98 5.12 -0.18 -0.57 116.66 126.09 1uul n ARG 140 Ca 0.08 -0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.82 1uul n ARG 140 Cb 0.46 -0.36 -0.10 0.00 -1.16 0.00 0.00 32.46 31.30 1uul n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1uul s GLN 141 N -0.48 0.50 -0.08 5.56 -0.44 -1.23 -4.96 119.66 118.52 1uul s GLN 141 Ca 0.00 0.66 0.02 0.00 -2.50 0.00 0.00 55.36 53.53 1uul s GLN 141 Cb 0.00 0.21 0.01 0.00 -1.64 0.00 0.00 33.01 31.59 1uul s GLN 141 CO 0.00 -0.08 -0.12 0.42 0.50 0.00 0.00 175.29 176.01 1uul s ILE 142 N 0.44 1.22 -0.04 -2.34 1.01 -1.26 -2.22 121.20 118.01 1uul s ILE 142 Ca -0.02 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1uul s ILE 142 Cb -0.04 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1uul s ILE 142 CO -0.02 0.38 -0.04 -0.89 0.00 0.00 0.00 174.94 174.37 1uul s THR 143 N 0.89 0.52 -0.10 2.92 2.01 0.13 -4.99 115.64 117.02 1uul s THR 143 Ca -0.10 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 1uul s THR 143 Cb -0.15 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 71.85 1uul s THR 143 CO 0.01 0.22 0.01 -0.69 -0.69 0.00 0.00 174.62 173.48 1uul s VAL 144 N 0.85 0.39 0.00 3.82 1.01 -1.26 0.10 120.40 125.31 1uul s VAL 144 Ca -0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1uul s VAL 144 Cb -0.14 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1uul s VAL 144 CO 0.00 0.16 0.10 0.20 0.00 0.00 0.00 175.10 175.56 1uul s ASN 145 N 1.96 5.77 0.75 3.32 0.02 -0.66 -4.96 114.94 121.13 1uul s ASN 145 Ca 0.04 0.16 -0.14 0.00 -1.02 0.00 0.00 52.86 51.90 1uul s ASN 145 Cb -0.13 -1.67 0.05 0.00 0.02 0.00 0.00 41.25 39.52 1uul s ASN 145 CO -0.06 0.26 1.17 -0.62 0.02 0.00 0.00 177.10 177.88 1uul s ASP 146 N -1.83 4.17 0.28 -1.22 2.15 -1.26 -2.12 116.67 116.84 1uul s ASP 146 Ca 0.24 2.23 0.03 0.00 0.43 0.00 0.00 52.55 55.48 1uul s ASP 146 Cb -0.12 -2.57 0.69 0.00 -0.30 0.00 0.00 42.92 40.62 1uul s ASP 146 CO 0.15 -2.28 1.70 -0.07 -0.17 0.00 0.00 175.17 174.51 1uul h LEU 147 N -0.55 0.33 -1.70 -1.34 3.38 -1.97 -2.80 115.31 110.67 1uul h LEU 147 Ca -0.46 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1uul h LEU 147 Cb 1.28 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1uul h LEU 147 CO 0.49 0.02 0.00 -0.65 0.09 0.00 0.00 178.44 178.39 1uul h PRO 148 N 0.42 0.00 -5.30 1.13 0.11 -2.04 -3.44 132.00 122.88 1uul h PRO 148 Ca 0.54 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.99 1uul h PRO 148 Cb 1.00 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.84 1uul h PRO 148 CO -0.51 0.00 -0.76 0.08 -0.21 0.00 0.00 178.00 176.60 1uul s VAL 149 N -3.73 3.09 0.76 3.15 1.01 -1.06 -5.01 120.40 118.62 1uul s VAL 149 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1uul s VAL 149 Cb 0.10 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1uul s VAL 149 CO 0.48 0.52 1.12 -0.83 0.00 0.00 0.00 175.10 176.40 1uul s GLY 150 N 0.41 1.61 0.75 4.51 0.00 -1.26 -4.72 107.32 108.63 1uul s GLY 150 Ca -0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.18 1uul s GLY 150 CO 0.05 -0.01 1.04 0.50 0.00 0.00 0.00 173.10 174.68 1uul s ARG 151 N -5.40 1.50 -0.22 2.90 0.52 -1.26 -5.09 118.95 111.90 1uul s ARG 151 Ca 0.60 -1.15 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 1uul s ARG 151 Cb -0.12 -2.29 0.04 0.00 0.52 0.00 0.00 34.95 33.10 1uul s ARG 151 CO 0.51 -1.59 -0.15 0.34 0.02 0.00 0.00 175.30 174.43 1uul s ASP 152 N -4.79 3.81 0.36 0.23 2.15 -1.26 -4.99 116.67 112.18 1uul s ASP 152 Ca 0.68 -1.05 0.06 0.00 0.43 0.00 0.00 52.55 52.67 1uul s ASP 152 Cb -0.04 -1.49 0.69 0.00 -0.30 0.00 0.00 42.92 41.77 1uul s ASP 152 CO 0.45 -0.11 1.91 0.58 -0.17 0.00 0.00 175.17 177.84 1uul h VAL 153 N 6.40 1.18 -0.52 1.11 2.07 -1.98 -1.84 116.25 122.67 1uul h VAL 153 Ca -0.31 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 1uul h VAL 153 Cb 1.09 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1uul h VAL 153 CO 0.53 0.23 0.12 0.44 0.02 0.00 0.00 177.57 178.92 1uul h ASP 154 N 0.45 0.74 -0.12 0.57 3.32 -1.99 -1.63 116.42 117.76 1uul h ASP 154 Ca 0.10 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1uul h ASP 154 Cb 0.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1uul h ASP 154 CO 0.01 0.73 -0.26 -0.08 -1.72 0.00 0.00 179.24 177.91 1uul h GLU 155 N 0.76 0.57 -0.65 3.56 4.57 -1.77 0.50 114.58 122.13 1uul h GLU 155 Ca 0.17 -0.23 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1uul h GLU 155 Cb 0.29 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 1uul h GLU 155 CO -0.00 0.78 0.14 0.00 -1.18 0.00 0.00 179.01 178.75 1uul h ALA 156 N 1.22 0.86 -0.36 2.92 0.00 -1.03 -1.17 119.26 121.69 1uul h ALA 156 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1uul h ALA 156 Cb 0.72 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1uul h ALA 156 CO 0.06 0.59 0.09 1.25 0.00 0.00 0.00 179.25 181.23 1uul h LEU 157 N 0.97 0.55 -0.70 0.00 6.46 -0.89 -0.90 115.31 120.79 1uul h LEU 157 Ca 0.20 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1uul h LEU 157 Cb 0.38 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1uul h LEU 157 CO 0.01 0.63 0.44 -0.09 -0.62 0.00 0.00 178.44 178.81 1uul h ARG 158 N 0.43 0.82 -0.38 1.25 2.43 -0.68 -1.19 114.38 117.07 1uul h ARG 158 Ca 0.11 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1uul h ARG 158 Cb 0.30 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1uul h ARG 158 CO 0.00 0.54 0.11 -0.07 -1.51 0.00 0.00 179.97 179.05 1uul h LEU 159 N 0.85 0.56 -0.41 3.80 3.38 -0.82 0.02 115.31 122.69 1uul h LEU 159 Ca 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1uul h LEU 159 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1uul h LEU 159 CO -0.12 0.62 0.25 0.58 0.09 0.00 0.00 178.44 179.86 1uul h VAL 160 N 0.46 1.13 -0.66 1.22 2.07 -0.73 -0.31 116.25 119.43 1uul h VAL 160 Ca 0.12 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1uul h VAL 160 Cb 0.27 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1uul h VAL 160 CO -0.00 0.13 0.43 0.11 0.02 0.00 0.00 177.57 178.26 1uul h LYS 161 N 0.54 0.85 -0.34 1.57 1.57 -1.00 0.13 116.57 119.88 1uul h LYS 161 Ca 0.15 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1uul h LYS 161 Cb -0.01 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1uul h LYS 161 CO -0.03 0.56 0.09 0.00 -0.57 0.00 0.00 179.45 179.51 1uul h ALA 162 N 1.25 0.38 -0.56 3.86 0.00 -0.43 0.35 119.26 124.10 1uul h ALA 162 Ca 0.25 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1uul h ALA 162 Cb -0.08 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1uul h ALA 162 CO -0.06 -0.31 0.06 0.74 0.00 0.00 0.00 179.25 179.68 1uul h PHE 163 N 0.22 0.97 -0.28 0.00 -1.00 -0.41 -0.93 116.94 115.51 1uul h PHE 163 Ca 0.16 -0.13 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 1uul h PHE 163 Cb 0.15 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 1uul h PHE 163 CO -0.16 0.85 -0.09 1.96 -1.61 0.00 0.00 178.31 179.26 1uul h GLN 164 N 0.86 0.45 -0.38 1.51 4.20 0.11 -1.28 115.11 120.59 1uul h GLN 164 Ca 0.17 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1uul h GLN 164 Cb 0.43 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1uul h GLN 164 CO 0.01 0.55 -0.06 0.35 -0.67 0.00 0.00 178.83 179.02 1uul h PHE 165 N 0.43 0.80 -0.48 2.96 3.04 0.46 -2.88 116.94 121.27 1uul h PHE 165 Ca 0.08 -0.16 -0.10 0.00 3.98 0.00 0.00 57.97 61.77 1uul h PHE 165 Cb 0.42 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1uul h PHE 165 CO 0.01 0.84 -0.10 0.28 -2.02 0.00 0.00 178.31 177.32 1uul h VAL 166 N 0.53 1.27 0.00 1.41 2.07 -0.82 -2.35 116.25 118.36 1uul h VAL 166 Ca 0.10 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1uul h VAL 166 Cb 0.56 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1uul h VAL 166 CO 0.03 0.42 0.00 -0.62 0.02 0.00 0.00 177.57 177.43 1uul n GLU 167 N -4.24 0.66 -0.02 1.57 1.02 -0.52 -2.29 120.64 116.83 1uul n GLU 167 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1uul n GLU 167 Cb 0.38 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.00 1.78 0.00 3.49 4.81 -0.99 -4.79 118.16 121.46 1uul n LYS 168 Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1uul n LYS 168 Cb 0.07 -1.17 -0.00 0.00 0.02 0.00 0.00 35.03 33.95 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 -2.04 0.00 -0.88 5.64 8.25 -0.92 -4.99 115.22 120.28 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 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 0.79 0.41 3.96 -1.41 0.00 -0.97 -4.98 105.19 102.99 1uul n GLY 170 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.68 3.43 0.07 1.61 2.02 -1.26 -4.57 118.70 119.32 1uul s GLU 171 Ca 0.00 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.48 1uul s GLU 171 Cb 0.00 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 1uul s GLU 171 CO 0.00 0.24 0.04 0.08 0.02 0.00 0.00 175.26 175.64 1uul s VAL 172 N -2.19 4.33 -0.29 2.63 1.01 0.88 -4.42 120.40 122.35 1uul s VAL 172 Ca 0.38 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 1uul s VAL 172 Cb -0.09 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1uul s VAL 172 CO 0.33 0.17 0.31 0.00 0.00 0.00 0.00 175.10 175.91 1uul n PRO 174 N 5.25 -4.36 -2.12 0.00 -0.02 -1.26 -4.89 135.00 127.60 1uul n PRO 174 Ca -0.10 -1.44 -0.41 0.00 -2.02 0.00 0.00 63.50 59.52 1uul n PRO 174 Cb 0.51 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.23 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 -2.32 3.50 0.00 3.55 0.00 -1.26 -2.95 121.76 122.28 1uul s ALA 175 Ca 0.64 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1uul s ALA 175 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1uul s ALA 175 CO 0.53 -0.64 0.00 0.09 0.00 0.00 0.00 175.76 175.74 1uul n ASN 176 N 0.88 -3.80 -4.57 0.00 3.02 -1.26 -4.93 115.26 104.59 1uul n ASN 176 Ca 0.00 0.00 -0.53 0.00 -0.03 0.00 0.00 54.58 54.02 1uul n ASN 176 Cb 0.42 -2.06 -0.06 0.00 -0.61 0.00 0.00 39.78 37.46 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 1.33 -4.24 3.10 -0.00 -1.15 -4.99 117.44 109.14 1uul n TRP 177 Ca 0.00 0.72 -0.18 0.00 -0.00 0.00 0.00 57.50 58.05 1uul n TRP 177 Cb 0.23 -2.28 -0.11 0.00 -0.00 0.00 0.00 31.31 29.15 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 0.36 1.02 0.12 5.87 1.02 -1.26 -5.00 119.74 121.87 1uul s LYS 178 Ca 0.85 -1.24 -0.36 0.00 0.02 0.00 0.00 55.97 55.24 1uul s LYS 178 Cb -1.01 -0.88 -0.16 0.00 -0.52 0.00 0.00 37.83 35.26 1uul s LYS 178 CO 0.49 0.17 1.44 -2.30 -0.92 0.00 0.00 175.35 174.22 1uul n PRO 179 N 0.50 1.56 0.00 -1.68 -0.02 -1.26 -1.33 135.00 132.78 1uul n PRO 179 Ca -0.15 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1uul n PRO 179 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.88 1.68 3.83 -1.23 0.00 -1.26 -5.07 105.19 106.03 1uul n GLY 180 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.53 5.07 -0.15 1.61 1.11 -0.44 -4.98 116.67 117.36 1uul s ASP 181 Ca 0.00 1.35 -0.29 0.00 0.18 0.00 0.00 52.55 53.79 1uul s ASP 181 Cb 0.00 -2.16 -0.02 0.00 1.07 0.00 0.00 42.92 41.81 1uul s ASP 181 CO 0.00 -1.60 1.35 -0.54 1.18 0.00 0.00 175.17 175.56 1uul s LYS 182 N -5.18 4.21 0.45 8.23 1.02 -1.26 -4.96 119.74 122.24 1uul s LYS 182 Ca 0.59 1.77 0.08 0.00 0.02 0.00 0.00 55.97 58.42 1uul s LYS 182 Cb -0.13 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.36 1uul s LYS 182 CO 0.54 -0.76 0.46 0.95 -0.92 0.00 0.00 175.35 175.62 1uul s THR 183 N 3.67 2.56 0.27 2.17 -4.23 -1.26 -4.65 115.64 114.17 1uul s THR 183 Ca 0.59 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1uul s THR 183 Cb -0.24 -2.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 1uul s THR 183 CO 0.18 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.37 1uul s MET 184 N -4.24 1.44 -0.14 3.99 0.00 -1.06 -4.95 119.30 114.35 1uul s MET 184 Ca 0.49 -1.79 -0.09 0.00 0.00 0.00 0.00 55.69 54.30 1uul s MET 184 Cb -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 34.83 34.51 1uul s MET 184 CO 0.29 -0.33 0.17 0.15 0.00 0.00 0.00 175.02 175.30 1uul s LYS 185 N -4.00 3.77 0.00 3.16 1.02 -1.26 -0.09 119.74 122.35 1uul s LYS 185 Ca 0.37 -0.10 -0.02 0.00 0.02 0.00 0.00 55.97 56.25 1uul s LYS 185 Cb 0.07 -3.28 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 1uul s LYS 185 CO 0.14 0.58 1.59 -2.30 -0.92 0.00 0.00 175.35 174.45 1uul n PRO 186 N 2.56 0.75 -4.11 -1.68 -0.02 -1.26 -4.19 135.00 127.06 1uul n PRO 186 Ca -0.18 -0.31 -0.15 0.00 -2.02 0.00 0.00 63.50 60.84 1uul n PRO 186 Cb 0.54 -1.59 -0.14 0.00 -0.02 0.00 0.00 33.50 32.29 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 0.57 0.07 2.55 -1.08 -1.26 -5.08 116.67 114.84 1uul s ASP 187 Ca 0.21 -0.15 -0.20 0.00 -0.52 0.00 0.00 52.55 51.89 1uul s ASP 187 Cb 0.10 -0.04 -0.07 0.00 -1.46 0.00 0.00 42.92 41.45 1uul s ASP 187 CO 0.00 0.02 1.32 -0.65 0.52 0.00 0.00 175.17 176.38 1uul h PRO 188 N 5.81 -0.28 0.00 4.34 0.11 -2.00 -2.26 132.00 137.72 1uul h PRO 188 Ca -0.29 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1uul h PRO 188 Cb 1.20 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1uul h PRO 188 CO 0.49 -0.19 -0.00 0.93 -0.21 0.00 0.00 178.00 179.02 1uul h GLU 189 N -0.29 -0.00 0.00 1.05 4.39 -1.98 -3.11 114.58 114.64 1uul h GLU 189 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1uul h GLU 189 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1uul h GLU 189 CO -0.30 -0.00 0.05 1.17 -1.16 0.00 0.00 179.01 178.77 1uul n LYS 190 N -2.21 0.00 -0.00 2.33 4.81 -1.22 0.44 118.16 122.31 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 -1.55 -0.11 0.00 0.02 0.00 0.00 35.03 33.39 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 -0.92 0.85 0.29 3.14 3.41 -0.85 -4.37 113.62 115.18 1uul n SER 191 Ca 0.00 -0.86 0.16 0.00 -0.26 0.00 0.00 58.87 57.91 1uul n SER 191 Cb 0.05 1.07 0.91 0.00 -0.26 0.00 0.00 64.21 65.98 1uul n SER 191 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1uul h LYS 192 N 0.00 0.00 0.00 4.33 1.79 -0.11 -0.94 116.57 121.64 1uul h LYS 192 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1uul h LYS 192 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1uul h LYS 192 CO 0.00 0.04 0.00 -0.85 -1.08 0.00 0.00 179.45 177.56 1uul n GLU 193 N -3.59 0.12 -0.00 3.15 0.28 -1.26 -2.36 120.64 116.98 1uul n GLU 193 Ca -0.02 0.07 -0.19 0.00 -0.16 0.00 0.00 57.16 56.86 1uul n GLU 193 Cb 0.14 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.37 1uul n GLU 193 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1uul n TYR 194 N -1.43 1.19 0.41 -1.84 9.36 -0.37 -4.08 117.16 120.41 1uul n TYR 194 Ca 0.08 0.28 0.13 0.00 3.32 0.00 0.00 57.90 61.71 1uul n TYR 194 Cb 0.26 -1.17 0.50 0.00 -0.63 0.00 0.00 39.34 38.30 1uul n TYR 194 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1uul h PHE 195 N 0.06 0.00 -0.21 2.98 0.04 -1.45 -3.30 116.94 115.06 1uul h PHE 195 Ca -0.40 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 59.80 1uul h PHE 195 Cb 2.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.18 1uul h PHE 195 CO 0.06 0.00 2.06 0.41 -0.60 0.00 0.00 178.31 180.24 1uul n GLY 196 N 0.27 2.38 0.00 -1.45 0.00 -0.99 -5.12 105.19 100.27 1uul n GLY 196 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32