#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 -3.46 1.61 0.00 -1.14 -4.33 120.64 113.32 1uul n GLU 5 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 1uul n GLU 5 Cb 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 31.44 30.55 1uul n GLU 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1uul s ALA 6 N -0.05 3.47 0.04 -1.84 0.00 -1.17 -4.73 121.76 117.47 1uul s ALA 6 Ca 0.00 -1.86 0.05 0.00 0.00 0.00 0.00 51.96 50.15 1uul s ALA 6 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1uul s ALA 6 CO 0.00 -1.54 -0.09 -1.21 0.00 0.00 0.00 175.76 172.92 1uul s GLU 7 N 1.64 2.37 0.46 0.00 2.02 -1.26 -5.02 118.70 118.92 1uul s GLU 7 Ca 0.04 -0.84 -0.25 0.00 0.02 0.00 0.00 54.97 53.94 1uul s GLU 7 Cb -0.21 -2.41 -0.08 0.00 0.10 0.00 0.00 34.13 31.54 1uul s GLU 7 CO 0.08 0.57 1.37 -0.51 0.02 0.00 0.00 175.26 176.79 1uul s ASP 8 N -1.67 5.85 -1.05 -0.19 1.01 -1.26 -2.69 116.67 116.66 1uul s ASP 8 Ca 0.18 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.24 1uul s ASP 8 Cb -0.11 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1uul s ASP 8 CO 0.09 -1.18 0.00 0.18 0.21 0.00 0.00 175.17 174.47 1uul n LEU 9 N -0.32 -0.61 -4.53 1.23 7.99 0.22 -4.95 117.00 116.03 1uul n LEU 9 Ca 0.06 0.24 -0.25 0.00 -0.01 0.00 0.00 56.01 56.05 1uul n LEU 9 Cb 0.43 -1.83 -0.10 0.00 -0.11 0.00 0.00 43.42 41.81 1uul n LEU 9 CO 0.56 -0.62 -0.41 -1.00 -1.51 0.00 0.00 177.39 174.41 1uul s HIS 10 N -2.26 2.38 0.16 -1.77 3.76 -1.10 -4.91 115.29 111.56 1uul s HIS 10 Ca 0.00 -0.44 -0.34 0.00 -0.15 0.00 0.00 55.06 54.13 1uul s HIS 10 Cb 0.00 -1.26 -0.15 0.00 1.11 0.00 0.00 32.58 32.28 1uul s HIS 10 CO 0.00 0.62 1.47 -2.30 -0.85 0.00 0.00 174.74 173.68 1uul n PRO 11 N -0.75 1.84 -1.95 8.40 -0.02 -1.26 -1.42 135.00 139.83 1uul n PRO 11 Ca -0.05 0.66 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 1uul n PRO 11 Cb 0.62 -2.36 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.56 2.90 0.14 3.55 0.00 0.48 -4.75 121.76 124.64 1uul s ALA 12 Ca 0.78 1.20 -0.31 0.00 0.00 0.00 0.00 51.96 53.62 1uul s ALA 12 Cb -0.75 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 18.76 1uul s ALA 12 CO 0.43 -1.11 1.81 -2.30 0.00 0.00 0.00 175.76 174.60 1uul n PRO 13 N -0.78 2.77 -2.39 0.00 -0.02 -1.26 -4.91 135.00 128.42 1uul n PRO 13 Ca 0.09 1.01 -0.41 0.00 -2.02 0.00 0.00 63.50 62.17 1uul n PRO 13 Cb 0.46 -2.89 -0.04 0.00 -0.02 0.00 0.00 33.50 31.01 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 2.40 7.12 0.12 2.55 2.15 -1.26 -5.02 116.67 124.73 1uul s ASP 14 Ca 0.81 2.27 0.04 0.00 0.43 0.00 0.00 52.55 56.09 1uul s ASP 14 Cb -0.49 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.47 1uul s ASP 14 CO 0.36 -0.32 -0.09 0.72 -0.17 0.00 0.00 175.17 175.67 1uul s PHE 15 N -0.42 1.11 -0.48 -5.34 -0.12 -1.26 -5.01 117.98 106.47 1uul s PHE 15 Ca 0.50 -0.78 0.07 0.00 -0.05 0.00 0.00 56.93 56.67 1uul s PHE 15 Cb -0.33 -0.59 0.19 0.00 -0.63 0.00 0.00 43.02 41.65 1uul s PHE 15 CO 0.39 -0.00 0.68 1.21 -0.05 0.00 0.00 175.22 177.45 1uul s ASN 16 N -2.99 -1.42 0.29 1.98 2.47 -1.26 -1.59 114.94 112.42 1uul s ASN 16 Ca 0.13 -1.39 0.03 0.00 0.42 0.00 0.00 52.86 52.05 1uul s ASN 16 Cb 0.02 1.88 -0.06 0.00 -1.45 0.00 0.00 41.25 41.65 1uul s ASN 16 CO -0.01 -0.10 0.04 -1.61 -3.72 0.00 0.00 177.10 171.70 1uul s GLU 17 N 1.24 1.52 0.32 0.43 0.41 -0.99 -4.86 118.70 116.77 1uul s GLU 17 Ca 0.25 -1.82 -0.29 0.00 -0.41 0.00 0.00 54.97 52.70 1uul s GLU 17 Cb -0.02 -0.70 -0.10 0.00 -1.78 0.00 0.00 34.13 31.53 1uul s GLU 17 CO -0.06 -0.17 1.40 0.99 -0.49 0.00 0.00 175.26 176.93 1uul s THR 18 N -3.40 2.51 0.06 3.63 2.01 -1.26 -0.31 115.64 118.88 1uul s THR 18 Ca 0.34 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.83 1uul s THR 18 Cb 0.08 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1uul s THR 18 CO 0.13 0.10 -0.05 0.00 -0.69 0.00 0.00 174.62 174.12 1uul s ALA 19 N -0.78 0.65 -0.37 7.40 0.00 0.96 -1.30 121.76 128.32 1uul s ALA 19 Ca 0.53 -1.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 1uul s ALA 19 Cb -0.42 0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1uul s ALA 19 CO 0.53 -0.25 0.71 -1.17 0.00 0.00 0.00 175.76 175.58 1uul s LEU 20 N -2.63 4.21 0.47 0.00 2.96 -0.08 -2.23 118.68 121.38 1uul s LEU 20 Ca 0.04 0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 54.02 1uul s LEU 20 Cb 0.03 -2.90 -0.07 0.00 0.50 0.00 0.00 46.19 43.74 1uul s LEU 20 CO -0.06 -0.68 0.89 -0.04 -1.32 0.00 0.00 176.35 175.14 1uul s MET 21 N 2.93 3.85 0.30 1.98 -1.94 -0.48 -1.55 119.30 124.38 1uul s MET 21 Ca 0.28 0.72 0.03 0.00 -1.71 0.00 0.00 55.69 55.00 1uul s MET 21 Cb -0.14 -2.25 0.75 0.00 2.01 0.00 0.00 34.83 35.20 1uul s MET 21 CO 0.16 -0.18 1.63 -1.35 -0.01 0.00 0.00 175.02 175.27 1uul h PRO 22 N 0.99 0.15 0.00 2.03 0.11 -1.78 0.17 132.00 133.67 1uul h PRO 22 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1uul h PRO 22 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1uul h PRO 22 CO 0.62 0.10 0.00 0.27 -0.21 0.00 0.00 178.00 178.78 1uul n ASN 23 N -5.28 0.00 0.00 -2.05 6.94 -1.26 -4.63 115.26 108.98 1uul n ASN 23 Ca 0.22 -0.14 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1uul n ASN 23 Cb 0.73 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1uul n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1uul n GLY 24 N 0.11 0.72 3.99 4.83 0.00 0.61 -5.08 105.19 110.37 1uul n GLY 24 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.10 2.35 -0.19 2.61 -4.23 -1.26 -4.83 115.64 108.01 1uul s THR 25 Ca 0.00 -0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 59.78 1uul s THR 25 Cb 0.00 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1uul s THR 25 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 1uul s PHE 26 N -2.91 2.96 0.00 3.99 0.08 -1.26 -1.39 117.98 119.46 1uul s PHE 26 Ca 0.62 -0.65 -0.08 0.00 0.12 0.00 0.00 56.93 56.94 1uul s PHE 26 Cb -0.07 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1uul s PHE 26 CO 0.41 -0.32 0.15 0.21 -0.10 0.00 0.00 175.22 175.57 1uul s LYS 27 N 0.95 0.50 0.12 0.44 2.20 -0.95 -4.95 119.74 118.07 1uul s LYS 27 Ca -0.00 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 1uul s LYS 27 Cb -0.15 0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 36.32 1uul s LYS 27 CO 0.01 -0.12 1.06 0.15 -0.36 0.00 0.00 175.35 176.08 1uul s LYS 28 N -1.42 4.60 -0.11 4.03 -0.14 -1.26 -0.03 119.74 125.42 1uul s LYS 28 Ca -0.15 1.61 0.04 0.00 -1.36 0.00 0.00 55.97 56.11 1uul s LYS 28 Cb -0.07 -3.34 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1uul s LYS 28 CO 0.02 0.06 -0.23 0.08 -0.76 0.00 0.00 175.35 174.51 1uul s VAL 29 N 0.16 2.11 -0.03 3.17 1.01 0.58 -4.92 120.40 122.49 1uul s VAL 29 Ca 0.50 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1uul s VAL 29 Cb -0.27 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1uul s VAL 29 CO 0.32 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.79 1uul s ALA 30 N 0.42 2.52 0.30 5.51 0.00 -1.26 -2.35 121.76 126.90 1uul s ALA 30 Ca -0.17 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1uul s ALA 30 Cb -0.17 -0.82 0.76 0.00 0.00 0.00 0.00 23.12 22.89 1uul s ALA 30 CO 0.07 0.55 1.73 1.25 0.00 0.00 0.00 175.76 179.36 1uul h LEU 31 N 5.25 0.53 -2.39 0.00 5.85 -1.69 -0.38 115.31 122.48 1uul h LEU 31 Ca -0.46 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1uul h LEU 31 Cb 1.14 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1uul h LEU 31 CO 0.49 0.10 0.00 0.71 -0.34 0.00 0.00 178.44 179.40 1uul h THR 32 N 0.54 0.00 0.00 1.05 1.35 -1.95 -1.08 112.91 112.81 1uul h THR 32 Ca 0.58 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.42 1uul h THR 32 Cb 1.05 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1uul h THR 32 CO -0.47 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 175.08 1uul h SER 33 N 0.00 0.00 -0.03 5.36 0.02 -1.47 -2.00 113.55 115.43 1uul h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uul h SER 33 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1uul h SER 33 CO 0.00 0.00 -0.03 -1.22 -1.14 0.00 0.00 176.83 174.44 1uul n TYR 34 N -2.59 0.00 -1.64 3.45 4.02 -0.41 -4.93 117.16 115.06 1uul n TYR 34 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 57.90 57.40 1uul n TYR 34 Cb 0.17 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.44 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 1.17 1.72 0.00 -0.72 4.81 -0.76 -0.12 118.16 124.26 1uul n LYS 35 Ca 0.14 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1uul n LYS 35 Cb 0.57 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.28 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 3.09 1.69 3.69 3.14 0.00 -0.81 -5.05 105.19 110.93 1uul n GLY 36 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.91 2.18 0.25 1.61 -0.14 0.83 -4.79 119.74 118.76 1uul s LYS 37 Ca 0.00 -1.78 -0.16 0.00 -1.36 0.00 0.00 55.97 52.67 1uul s LYS 37 Cb 0.00 -1.97 -0.08 0.00 -1.68 0.00 0.00 37.83 34.10 1uul s LYS 37 CO 0.00 0.02 0.69 -1.58 -0.76 0.00 0.00 175.35 173.72 1uul s TRP 38 N -2.55 3.52 -0.05 3.18 0.52 -0.23 -2.64 118.94 120.70 1uul s TRP 38 Ca 0.38 1.23 0.03 0.00 0.02 0.00 0.00 56.10 57.76 1uul s TRP 38 Cb 0.02 -2.52 0.00 0.00 -1.15 0.00 0.00 33.47 29.82 1uul s TRP 38 CO 0.21 0.26 -0.14 -1.17 0.02 0.00 0.00 176.95 176.12 1uul s LEU 39 N -2.41 1.82 -0.37 2.99 2.96 0.03 0.11 118.68 123.82 1uul s LEU 39 Ca 0.47 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.99 1uul s LEU 39 Cb -0.14 -0.86 0.05 0.00 0.50 0.00 0.00 46.19 45.75 1uul s LEU 39 CO 0.19 0.11 0.16 -0.69 -1.32 0.00 0.00 176.35 174.80 1uul s VAL 40 N 0.23 3.95 -0.25 1.68 1.01 -0.23 -0.73 120.40 126.07 1uul s VAL 40 Ca -0.07 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.57 1uul s VAL 40 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1uul s VAL 40 CO 0.02 -0.29 0.24 -0.22 0.00 0.00 0.00 175.10 174.85 1uul s LEU 41 N 1.41 4.09 -0.03 3.92 2.96 -0.27 -1.10 118.68 129.65 1uul s LEU 41 Ca 0.00 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1uul s LEU 41 Cb -0.21 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.26 1uul s LEU 41 CO 0.03 -0.03 -0.12 0.72 -1.32 0.00 0.00 176.35 175.63 1uul s PHE 42 N 1.43 1.21 0.18 5.38 -0.71 -0.08 -0.43 117.98 124.96 1uul s PHE 42 Ca 0.11 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 1uul s PHE 42 Cb -0.15 -0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 40.77 1uul s PHE 42 CO 0.08 -0.14 0.35 -0.06 -1.34 0.00 0.00 175.22 174.10 1uul s PHE 43 N 0.22 3.49 0.04 3.49 0.40 0.39 -1.28 117.98 124.73 1uul s PHE 43 Ca -0.05 0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 56.47 1uul s PHE 43 Cb -0.10 -1.79 -0.00 0.00 0.51 0.00 0.00 43.02 41.64 1uul s PHE 43 CO 0.01 0.44 0.16 1.52 0.70 0.00 0.00 175.22 178.04 1uul s TYR 44 N -1.81 0.12 -0.05 0.36 -0.85 -0.78 -3.59 117.35 110.75 1uul s TYR 44 Ca 0.37 -0.38 -0.22 0.00 -0.52 0.00 0.00 57.07 56.32 1uul s TYR 44 Cb -0.11 -0.07 -0.16 0.00 0.38 0.00 0.00 41.96 41.99 1uul s TYR 44 CO 0.29 -0.41 0.92 -1.35 -1.52 0.00 0.00 175.55 173.47 1uul h PRO 45 N 3.49 -0.21 -2.86 -3.49 0.11 -1.79 -3.41 132.00 123.85 1uul h PRO 45 Ca -0.32 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 1uul h PRO 45 Cb 1.19 0.05 -0.26 0.00 0.11 0.00 0.00 31.00 32.09 1uul h PRO 45 CO 0.50 0.23 -0.33 -1.64 -0.21 0.00 0.00 178.00 176.54 1uul s MET 46 N -3.53 0.37 0.76 1.05 -1.94 -1.26 -4.35 119.30 110.40 1uul s MET 46 Ca -0.13 0.55 -0.14 0.00 -1.71 0.00 0.00 55.69 54.26 1uul s MET 46 Cb 0.01 0.10 0.06 0.00 2.01 0.00 0.00 34.83 37.01 1uul s MET 46 CO 0.49 -0.09 1.21 -0.51 -0.01 0.00 0.00 175.02 176.11 1uul s ASP 47 N 0.60 3.96 -1.54 3.03 1.11 -1.26 -3.38 116.67 119.19 1uul s ASP 47 Ca -0.03 2.36 0.00 0.00 0.18 0.00 0.00 52.55 55.05 1uul s ASP 47 Cb -0.05 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.35 1uul s ASP 47 CO -0.04 -2.42 0.00 0.49 1.18 0.00 0.00 175.17 174.38 1uul n PHE 48 N -2.96 -0.35 -0.10 4.23 3.72 -1.26 -5.00 117.46 115.74 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 0.50 -3.00 0.00 0.00 -0.94 0.00 0.00 39.48 36.04 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 -3.22 0.00 0.02 4.37 -2.24 -1.22 -5.13 114.28 106.87 1uul n THR 49 Ca -0.17 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 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 0.00 -0.22 4.78 3.72 -1.26 -4.59 117.46 119.89 1uul n PHE 50 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 1uul n PHE 50 Cb 0.00 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.01 1.19 -0.78 -4.37 2.07 -1.95 -3.31 116.25 109.09 1uul h VAL 51 Ca 0.00 -0.45 0.16 0.00 0.82 0.00 0.00 66.70 67.23 1uul h VAL 51 Cb 0.01 0.37 -0.15 0.00 -1.52 0.00 0.00 31.29 30.00 1uul h VAL 51 CO 0.00 0.20 -0.17 0.00 0.02 0.00 0.00 177.57 177.62 1uul h PRO 53 N 0.01 0.82 -0.91 0.00 0.13 -1.81 0.89 132.00 131.13 1uul h PRO 53 Ca 0.38 -0.27 0.08 0.00 -0.87 0.00 0.00 66.00 65.32 1uul h PRO 53 Cb 0.60 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.60 1uul h PRO 53 CO -0.79 0.89 0.59 1.79 -0.23 0.00 0.00 178.00 180.25 1uul h THR 54 N 0.66 1.02 0.25 1.56 1.35 -1.52 0.34 112.91 116.58 1uul h THR 54 Ca 0.13 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 1uul h THR 54 Cb 0.54 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 1uul h THR 54 CO 0.03 0.18 -0.12 -0.33 -0.25 0.00 0.00 175.52 175.03 1uul h GLU 55 N 0.98 -0.33 -0.66 4.72 5.08 -0.98 -2.64 114.58 120.75 1uul h GLU 55 Ca 0.41 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1uul h GLU 55 Cb 0.29 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1uul h GLU 55 CO -0.17 0.03 0.43 0.82 -1.00 0.00 0.00 179.01 179.12 1uul h ILE 56 N -0.82 1.14 -0.51 3.13 2.04 -0.36 -1.87 117.51 120.26 1uul h ILE 56 Ca -0.03 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1uul h ILE 56 Cb 0.51 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1uul h ILE 56 CO 0.06 0.16 0.25 0.00 0.00 0.00 0.00 178.15 178.62 1uul h GLN 58 N 0.68 -0.12 -0.96 0.00 1.08 -1.09 0.37 115.11 115.07 1uul h GLN 58 Ca 0.18 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.47 1uul h GLN 58 Cb 0.10 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.49 1uul h GLN 58 CO -0.02 -0.08 0.60 0.74 -0.95 0.00 0.00 178.83 179.12 1uul h PHE 59 N -0.13 1.11 -0.39 2.96 0.04 -1.11 -1.07 116.94 118.35 1uul h PHE 59 Ca 0.03 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 1uul h PHE 59 Cb 0.17 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1uul h PHE 59 CO -0.14 0.52 0.01 1.03 -0.60 0.00 0.00 178.31 179.12 1uul h SER 60 N 1.04 0.67 -0.13 2.17 0.87 -0.39 -2.29 113.55 115.49 1uul h SER 60 Ca 0.44 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1uul h SER 60 Cb 0.29 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1uul h SER 60 CO -0.21 0.81 -0.10 0.44 -0.53 0.00 0.00 176.83 177.25 1uul h ASP 61 N 0.52 0.44 -0.61 6.23 3.32 0.62 -3.04 116.42 123.89 1uul h ASP 61 Ca 0.11 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1uul h ASP 61 Cb 0.46 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1uul h ASP 61 CO 0.02 0.58 0.00 0.54 -1.72 0.00 0.00 179.24 178.66 1uul n ARG 62 N -4.23 4.28 -0.31 3.56 1.74 -0.49 -4.60 116.66 116.61 1uul n ARG 62 Ca 0.01 -3.03 -0.03 0.00 -0.77 0.00 0.00 57.85 54.03 1uul n ARG 62 Cb 0.30 -2.07 0.02 0.00 -1.02 0.00 0.00 32.46 29.69 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 4.00 0.07 -0.85 1.55 2.07 -1.29 -0.04 116.25 121.76 1uul h VAL 63 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1uul h VAL 63 Cb 1.71 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1uul h VAL 63 CO 0.36 0.00 0.55 0.11 0.02 0.00 0.00 177.57 178.61 1uul h LYS 64 N -0.07 0.52 -0.25 1.57 6.56 -1.87 0.28 116.57 123.31 1uul h LYS 64 Ca 0.30 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.88 1uul h LYS 64 Cb 0.58 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 1uul h LYS 64 CO -0.86 0.35 0.17 0.93 -2.06 0.00 0.00 179.45 177.97 1uul h GLU 65 N 0.54 0.25 0.18 3.15 5.08 -1.35 0.44 114.58 122.86 1uul h GLU 65 Ca 0.43 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.45 1uul h GLU 65 Cb 0.86 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1uul h GLU 65 CO -0.17 0.16 -1.57 0.74 -1.00 0.00 0.00 179.01 177.17 1uul h PHE 66 N 0.25 0.68 -0.68 4.33 0.04 -0.54 -3.37 116.94 117.65 1uul h PHE 66 Ca 0.10 -0.50 -0.06 0.00 2.80 0.00 0.00 57.97 60.31 1uul h PHE 66 Cb 0.10 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1uul h PHE 66 CO -0.00 1.61 0.17 1.03 -0.60 0.00 0.00 178.31 180.52 1uul h SER 67 N -0.02 1.01 0.11 2.17 0.87 -0.20 -1.09 113.55 116.39 1uul h SER 67 Ca -0.31 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1uul h SER 67 Cb 2.00 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1uul h SER 67 CO 0.16 0.97 -0.01 0.44 -0.53 0.00 0.00 176.83 177.86 1uul h ASP 68 N 1.02 0.00 -0.31 6.23 3.32 -0.30 -1.45 116.42 124.92 1uul h ASP 68 Ca 0.22 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.10 1uul h ASP 68 Cb 0.35 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.80 1uul h ASP 68 CO 0.00 0.01 -0.16 2.30 -1.72 0.00 0.00 179.24 179.67 1uul n ILE 69 N -3.28 2.52 -2.11 0.35 -5.35 -0.87 -4.95 119.36 105.66 1uul n ILE 69 Ca -0.03 -2.89 -0.04 0.00 -0.27 0.00 0.00 62.75 59.52 1uul n ILE 69 Cb 0.10 -0.34 -0.00 0.00 -1.74 0.00 0.00 39.64 37.66 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 -1.12 0.24 3.02 3.28 0.00 -0.55 -4.94 105.19 105.14 1uul n GLY 70 Ca 0.32 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 0.92 3.39 0.03 0.00 0.41 0.12 -2.83 118.70 120.74 1uul s GLU 72 Ca -0.09 -0.31 0.05 0.00 -0.41 0.00 0.00 54.97 54.21 1uul s GLU 72 Cb -0.15 -2.60 -0.02 0.00 -1.78 0.00 0.00 34.13 29.58 1uul s GLU 72 CO 0.00 0.00 -0.14 0.14 -0.49 0.00 0.00 175.26 174.77 1uul s VAL 73 N -2.43 1.11 -0.04 2.63 -7.23 -1.26 -1.07 120.40 112.11 1uul s VAL 73 Ca 0.43 -0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.68 1uul s VAL 73 Cb -0.10 -0.99 0.03 0.00 0.56 0.00 0.00 36.38 35.89 1uul s VAL 73 CO 0.38 0.08 0.07 -0.22 -0.31 0.00 0.00 175.10 175.10 1uul s LEU 74 N -0.94 0.50 0.36 1.32 2.96 -0.26 -4.47 118.68 118.14 1uul s LEU 74 Ca 0.03 0.12 0.03 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 46.59 1uul s LEU 74 CO 0.01 -0.20 0.54 0.00 -1.32 0.00 0.00 176.35 175.38 1uul s ALA 75 N 1.70 3.89 -0.13 5.97 0.00 -1.01 -0.90 121.76 131.28 1uul s ALA 75 Ca -0.02 -1.15 -0.28 0.00 0.00 0.00 0.00 51.96 50.51 1uul s ALA 75 Cb -0.12 -1.94 0.07 0.00 0.00 0.00 0.00 23.12 21.12 1uul s ALA 75 CO -0.04 -0.09 0.68 0.00 0.00 0.00 0.00 175.76 176.31 1uul s SER 77 N -0.60 -0.34 0.53 0.00 0.15 -1.10 -1.87 113.70 110.46 1uul s SER 77 Ca -0.07 -0.35 0.24 0.00 0.70 0.00 0.00 55.95 56.47 1uul s SER 77 Cb -0.02 0.63 1.47 0.00 -1.71 0.00 0.00 66.02 66.38 1uul s SER 77 CO 0.06 -1.11 2.13 -0.03 1.20 0.00 0.00 173.24 175.49 1uul h MET 78 N 2.00 0.00 -7.32 5.44 1.85 -1.78 -0.29 114.93 114.83 1uul h MET 78 Ca -0.24 0.00 -0.51 0.00 -0.61 0.00 0.00 59.70 58.33 1uul h MET 78 Cb 1.26 0.00 0.13 0.00 0.43 0.00 0.00 31.60 33.42 1uul h MET 78 CO 0.28 0.08 0.33 -0.51 -0.40 0.00 0.00 176.91 176.69 1uul s ASP 79 N -6.44 4.64 0.82 1.39 1.01 -1.26 -4.15 116.67 112.69 1uul s ASP 79 Ca -0.04 1.78 -0.11 0.00 0.71 0.00 0.00 52.55 54.89 1uul s ASP 79 Cb 0.15 -2.51 0.08 0.00 1.01 0.00 0.00 42.92 41.65 1uul s ASP 79 CO 0.60 -1.94 1.09 -0.94 0.21 0.00 0.00 175.17 174.19 1uul s SER 80 N -3.47 4.18 0.20 0.27 1.04 -1.26 -4.22 113.70 110.45 1uul s SER 80 Ca 0.61 1.48 -0.10 0.00 0.48 0.00 0.00 55.95 58.41 1uul s SER 80 Cb -0.17 -2.20 0.24 0.00 0.10 0.00 0.00 66.02 64.00 1uul s SER 80 CO 0.56 -2.19 1.77 1.05 0.98 0.00 0.00 173.24 175.41 1uul h GLU 81 N -1.24 0.50 -0.56 4.02 4.11 -1.93 -0.68 114.58 118.80 1uul h GLU 81 Ca -0.47 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 58.84 1uul h GLU 81 Cb 1.26 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1uul h GLU 81 CO 0.56 0.33 -0.01 1.88 0.07 0.00 0.00 179.01 181.84 1uul h TYR 82 N 0.52 1.07 -0.31 2.06 -1.99 -1.99 0.18 116.97 116.51 1uul h TYR 82 Ca 0.29 -0.18 0.03 0.00 2.00 0.00 0.00 58.73 60.87 1uul h TYR 82 Cb 0.27 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 1uul h TYR 82 CO -0.12 0.96 0.14 1.03 -0.00 0.00 0.00 178.16 180.16 1uul h SER 83 N 0.90 0.19 -0.02 3.88 0.87 -1.79 0.24 113.55 117.82 1uul h SER 83 Ca 0.16 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1uul h SER 83 Cb 0.54 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 1uul h SER 83 CO 0.03 0.15 -0.31 0.45 -0.53 0.00 0.00 176.83 176.61 1uul h HIS 84 N 0.29 -0.86 -0.36 2.24 3.86 0.05 -0.66 115.15 119.72 1uul h HIS 84 Ca 0.13 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.43 1uul h HIS 84 Cb 0.07 0.38 -0.05 0.00 1.06 0.00 0.00 27.41 28.86 1uul h HIS 84 CO -0.11 -0.40 0.02 1.25 0.86 0.00 0.00 177.93 179.55 1uul h LEU 85 N -0.45 -0.09 -0.59 2.43 5.85 -0.24 -0.05 115.31 122.16 1uul h LEU 85 Ca 0.07 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1uul h LEU 85 Cb 0.55 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 1uul h LEU 85 CO -0.28 -0.01 0.21 0.00 -0.34 0.00 0.00 178.44 178.02 1uul h ALA 86 N 1.30 0.76 -0.35 1.25 0.00 0.04 0.01 119.26 122.27 1uul h ALA 86 Ca 0.17 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1uul h ALA 86 Cb 0.23 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1uul h ALA 86 CO -0.27 -0.21 -0.09 2.35 0.00 0.00 0.00 179.25 181.03 1uul h TRP 87 N 0.38 0.63 0.00 0.00 7.01 0.13 -0.08 115.95 124.02 1uul h TRP 87 Ca 0.30 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.21 1uul h TRP 87 Cb 0.37 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1uul h TRP 87 CO -0.18 0.66 0.00 0.00 -2.79 0.00 0.00 178.44 176.14 1uul h THR 88 N 0.54 0.00 0.00 2.65 1.03 0.77 -2.46 112.91 115.44 1uul h THR 88 Ca 0.10 -0.36 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 1uul h THR 88 Cb 0.49 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.89 1uul h THR 88 CO 0.03 0.00 -0.55 -1.20 -0.01 0.00 0.00 175.52 173.79 1uul n SER 89 N -3.01 0.61 -4.90 0.00 7.64 -0.05 -2.97 113.62 110.94 1uul n SER 89 Ca -0.00 0.05 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 1uul n SER 89 Cb 0.24 0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.53 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 -3.11 5.18 0.32 0.44 -5.25 -0.96 -4.92 121.20 112.89 1uul s ILE 90 Ca 0.08 -0.06 -0.28 0.00 -0.99 0.00 0.00 60.65 59.40 1uul s ILE 90 Cb 0.15 -3.65 -0.09 0.00 2.95 0.00 0.00 42.46 41.82 1uul s ILE 90 CO 0.70 -0.00 1.15 -1.83 -1.79 0.00 0.00 174.94 173.17 1uul s GLU 91 N -2.79 4.43 0.27 0.37 -1.05 -1.26 -2.28 118.70 116.39 1uul s GLU 91 Ca 0.40 1.87 -0.01 0.00 -0.15 0.00 0.00 54.97 57.08 1uul s GLU 91 Cb -0.12 -3.01 0.61 0.00 -0.44 0.00 0.00 34.13 31.17 1uul s GLU 91 CO 0.26 -0.00 1.63 -0.09 0.95 0.00 0.00 175.26 178.01 1uul h ARG 92 N 3.38 0.15 0.00 -4.83 2.43 -1.84 0.35 114.38 114.02 1uul h ARG 92 Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1uul h ARG 92 Cb 1.22 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1uul h ARG 92 CO 0.65 0.10 0.00 1.63 -1.51 0.00 0.00 179.97 180.84 1uul n LYS 93 N -5.30 0.09 -0.10 0.20 5.02 -1.26 -0.46 118.16 116.36 1uul n LYS 93 Ca 0.19 0.20 0.07 0.00 -2.02 0.00 0.00 58.31 56.76 1uul n LYS 93 Cb 0.61 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.25 1uul n LYS 93 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1uul n ARG 94 N -1.25 1.91 -0.43 1.97 5.12 0.11 -4.94 116.66 119.14 1uul n ARG 94 Ca 0.03 -2.36 0.00 0.00 -1.93 0.00 0.00 57.85 53.59 1uul n ARG 94 Cb 0.04 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1uul n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uul n GLY 95 N -1.05 0.77 2.78 -0.13 0.00 0.39 -4.93 105.19 103.02 1uul n GLY 95 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.34 -0.45 0.10 -0.02 0.00 -0.49 -4.86 105.19 97.13 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 0.21 0.00 0.99 4.32 -0.99 -3.88 117.00 117.65 1uul n LEU 97 Ca 0.12 -0.01 0.02 0.00 -0.02 0.00 0.00 56.01 56.12 1uul n LEU 97 Cb 0.42 0.38 -0.00 0.00 -1.62 0.00 0.00 43.42 42.60 1uul n LEU 97 CO 0.30 0.51 -0.03 0.61 -1.22 0.00 0.00 177.39 177.56 1uul n GLY 98 N 1.84 -1.35 3.70 -0.72 0.00 -0.97 -4.69 105.19 103.01 1uul n GLY 98 Ca -0.32 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.68 2.33 -4.16 1.61 -0.06 -1.26 -4.68 117.38 109.48 1uul n GLN 99 Ca 0.00 0.83 -0.34 0.00 -2.00 0.00 0.00 57.00 55.50 1uul n GLN 99 Cb 0.06 -2.55 -0.08 0.00 -4.06 0.00 0.00 30.24 23.62 1uul n GLN 99 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 1uul s MET 100 N -0.33 3.04 0.00 3.69 -1.94 -1.26 -5.01 119.30 117.49 1uul s MET 100 Ca 0.67 -0.46 0.19 0.00 -1.71 0.00 0.00 55.69 54.38 1uul s MET 100 Cb -0.58 -2.85 0.49 0.00 2.01 0.00 0.00 34.83 33.90 1uul s MET 100 CO 0.48 0.66 1.40 0.09 -0.01 0.00 0.00 175.02 177.65 1uul n ASN 101 N 1.44 3.50 -4.05 3.03 5.03 -1.26 -4.44 115.26 118.51 1uul n ASN 101 Ca -0.15 -1.98 -0.18 0.00 0.87 0.00 0.00 54.58 53.15 1uul n ASN 101 Cb 0.53 -0.36 -0.14 0.00 -1.02 0.00 0.00 39.78 38.80 1uul n ASN 101 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1uul s ILE 102 N -1.07 0.73 0.59 2.41 1.10 -1.26 -4.87 121.20 118.82 1uul s ILE 102 Ca 0.38 -0.60 -0.15 0.00 -0.51 0.00 0.00 60.65 59.77 1uul s ILE 102 Cb 0.20 -0.65 -0.04 0.00 0.15 0.00 0.00 42.46 42.12 1uul s ILE 102 CO 0.27 0.06 1.04 -2.84 -2.11 0.00 0.00 174.94 171.35 1uul s PRO 103 N -0.61 3.46 -0.21 3.50 0.02 -1.26 -4.34 135.00 135.56 1uul s PRO 103 Ca 0.01 1.05 -0.02 0.00 0.02 0.00 0.00 61.00 62.07 1uul s PRO 103 Cb -0.05 -2.06 0.06 0.00 0.02 0.00 0.00 34.50 32.47 1uul s PRO 103 CO 0.00 -0.69 0.00 0.42 -0.33 0.00 0.00 177.00 176.41 1uul s ILE 104 N -2.66 0.89 0.56 2.83 1.01 -0.59 -2.42 121.20 120.82 1uul s ILE 104 Ca 0.61 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 1uul s ILE 104 Cb -0.14 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 1uul s ILE 104 CO 0.40 -0.17 1.19 -0.76 0.00 0.00 0.00 174.94 175.59 1uul s LEU 105 N 1.69 3.74 -0.61 2.97 1.43 0.03 -0.91 118.68 127.03 1uul s LEU 105 Ca -0.03 2.33 0.02 0.00 -1.03 0.00 0.00 54.13 55.42 1uul s LEU 105 Cb -0.18 -4.54 0.15 0.00 0.03 0.00 0.00 46.19 41.66 1uul s LEU 105 CO -0.07 -1.40 0.38 0.00 0.23 0.00 0.00 176.35 175.49 1uul s ALA 106 N -1.63 3.53 -1.13 4.21 0.00 -0.42 -2.71 121.76 123.61 1uul s ALA 106 Ca 0.74 -3.41 -0.13 0.00 0.00 0.00 0.00 51.96 49.16 1uul s ALA 106 Cb -0.29 -2.35 0.19 0.00 0.00 0.00 0.00 23.12 20.68 1uul s ALA 106 CO 0.32 -2.07 1.29 0.16 0.00 0.00 0.00 175.76 175.46 1uul s ASP 107 N -0.20 7.06 0.50 0.00 -4.77 -0.12 -4.64 116.67 114.49 1uul s ASP 107 Ca 0.19 -3.00 0.20 0.00 -3.30 0.00 0.00 52.55 46.64 1uul s ASP 107 Cb -0.20 -2.35 1.28 0.00 -1.09 0.00 0.00 42.92 40.56 1uul s ASP 107 CO -0.04 -0.67 2.07 0.11 0.70 0.00 0.00 175.17 177.33 1uul h LYS 108 N 7.28 0.00 0.00 2.11 1.57 -1.82 -0.64 116.57 125.07 1uul h LYS 108 Ca 0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1uul h LYS 108 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1uul h LYS 108 CO 1.15 0.12 -0.44 1.79 -0.57 0.00 0.00 179.45 181.50 1uul h THR 109 N 0.00 0.77 -0.18 -0.16 1.35 -1.90 -3.47 112.91 109.31 1uul h THR 109 Ca -0.00 -2.05 -0.08 0.00 -0.55 0.00 0.00 66.41 63.73 1uul h THR 109 Cb 0.25 2.35 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 1uul h THR 109 CO 0.02 0.43 -0.07 0.29 -0.25 0.00 0.00 175.52 175.94 1uul n LYS 110 N -3.23 -0.71 -0.03 4.72 5.02 -0.25 -4.92 118.16 118.77 1uul n LYS 110 Ca 0.02 0.47 -0.05 0.00 -2.02 0.00 0.00 58.31 56.72 1uul n LYS 110 Cb 0.70 -4.19 0.15 0.00 -0.02 0.00 0.00 35.03 31.67 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 0.53 0.68 -0.83 0.00 2.04 -1.91 0.14 117.51 118.16 1uul h ILE 112 Ca 0.07 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1uul h ILE 112 Cb 0.72 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1uul h ILE 112 CO 0.05 0.08 0.55 0.00 0.00 0.00 0.00 178.15 178.83 1uul h MET 113 N -0.67 0.98 -0.46 2.37 -0.00 -1.93 -0.05 114.93 115.16 1uul h MET 113 Ca -0.05 -0.06 0.03 0.00 -0.00 0.00 0.00 59.70 59.63 1uul h MET 113 Cb 0.47 -0.22 -0.04 0.00 -0.00 0.00 0.00 31.60 31.81 1uul h MET 113 CO 0.08 0.65 0.25 0.87 -0.00 0.00 0.00 176.91 178.75 1uul h LYS 114 N 1.01 0.48 -0.69 -0.10 1.57 -1.09 -1.69 116.57 116.06 1uul h LYS 114 Ca 0.33 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.16 1uul h LYS 114 Cb 0.06 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 1uul h LYS 114 CO -0.10 0.32 0.37 0.77 -0.57 0.00 0.00 179.45 180.23 1uul h SER 115 N 0.49 0.52 -0.04 0.86 0.02 0.89 -1.09 113.55 115.20 1uul h SER 115 Ca 0.20 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1uul h SER 115 Cb 0.08 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1uul h SER 115 CO -0.12 0.32 0.00 -1.22 -1.14 0.00 0.00 176.83 174.67 1uul n TYR 116 N -4.81 0.05 -2.94 3.45 4.02 -0.66 -2.88 117.16 113.39 1uul n TYR 116 Ca 0.10 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.90 57.75 1uul n TYR 116 Cb 0.22 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.57 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 0.95 -0.43 0.27 2.72 0.00 -0.41 -4.79 105.19 103.50 1uul n GLY 117 Ca 0.17 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.42 1.52 -2.94 1.61 0.24 -0.80 -4.69 118.33 108.84 1uul n VAL 118 Ca -0.11 -1.93 -0.40 0.00 -2.04 0.00 0.00 64.34 59.86 1uul n VAL 118 Cb 0.61 -0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.87 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 -2.30 4.46 -0.62 1.34 0.20 -1.24 -0.58 118.68 119.94 1uul s LEU 119 Ca 0.27 1.51 -0.16 0.00 0.69 0.00 0.00 54.13 56.44 1uul s LEU 119 Cb 0.24 -3.29 0.14 0.00 -0.43 0.00 0.00 46.19 42.86 1uul s LEU 119 CO 0.00 0.01 0.60 -1.59 -0.29 0.00 0.00 176.35 175.09 1uul s LYS 120 N -0.09 3.14 0.39 1.98 -2.85 0.12 -4.89 119.74 117.53 1uul s LYS 120 Ca 0.40 -1.80 0.20 0.00 -1.00 0.00 0.00 55.97 53.76 1uul s LYS 120 Cb -0.21 -4.34 1.18 0.00 -2.06 0.00 0.00 37.83 32.40 1uul s LYS 120 CO 0.24 -1.37 1.70 0.93 0.10 0.00 0.00 175.35 176.95 1uul h GLU 121 N 8.71 0.29 0.00 1.78 3.07 -1.95 0.95 114.58 127.43 1uul h GLU 121 Ca -0.21 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.59 1uul h GLU 121 Cb 1.08 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1uul h GLU 121 CO 0.99 0.19 -0.21 1.05 -1.40 0.00 0.00 179.01 179.64 1uul h GLU 122 N 0.30 0.00 0.00 2.33 9.09 -1.96 -3.31 114.58 121.03 1uul h GLU 122 Ca 0.70 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.11 1uul h GLU 122 Cb 1.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.94 1uul h GLU 122 CO -0.43 0.21 -0.97 -0.25 0.05 0.00 0.00 179.01 177.62 1uul n ASP 123 N -4.10 2.59 0.00 3.06 8.00 0.21 -5.01 116.55 121.31 1uul n ASP 123 Ca -0.02 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1uul n ASP 123 Cb 0.28 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.57 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 1.84 0.54 3.50 0.44 0.00 -0.52 -5.04 105.19 105.96 1uul n GLY 124 Ca -0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 1.84 0.08 1.61 -7.23 -1.25 -4.88 120.40 108.56 1uul s VAL 125 Ca 0.00 -2.11 -0.12 0.00 -1.81 0.00 0.00 61.98 57.94 1uul s VAL 125 Cb 0.00 -2.66 -0.06 0.00 0.56 0.00 0.00 36.38 34.22 1uul s VAL 125 CO 0.00 -0.17 0.44 0.00 -0.31 0.00 0.00 175.10 175.06 1uul s ALA 126 N -2.87 3.68 0.94 1.32 0.00 -1.26 0.13 121.76 123.71 1uul s ALA 126 Ca 0.32 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 1uul s ALA 126 Cb 0.05 -2.36 0.16 0.00 0.00 0.00 0.00 23.12 20.96 1uul s ALA 126 CO 0.15 0.52 1.11 0.71 0.00 0.00 0.00 175.76 178.25 1uul s TYR 127 N -1.33 2.35 -1.07 0.00 4.12 0.25 -2.84 117.35 118.83 1uul s TYR 127 Ca 0.32 0.94 -0.19 0.00 0.02 0.00 0.00 57.07 58.15 1uul s TYR 127 Cb -0.15 -3.31 -0.07 0.00 -1.52 0.00 0.00 41.96 36.91 1uul s TYR 127 CO 0.17 -2.56 2.00 0.54 0.02 0.00 0.00 175.55 175.73 1uul n ARG 128 N -3.92 2.06 -3.33 -0.62 1.74 -0.80 -4.28 116.66 107.51 1uul n ARG 128 Ca 0.06 -2.27 -0.37 0.00 -0.77 0.00 0.00 57.85 54.51 1uul n ARG 128 Cb 0.58 -3.17 -0.06 0.00 -1.02 0.00 0.00 32.46 28.79 1uul n ARG 128 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1uul s GLY 129 N 4.56 2.55 -0.02 -0.13 0.00 -1.24 -1.66 107.32 111.39 1uul s GLY 129 Ca 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1uul s GLY 129 CO 0.05 0.28 0.01 -2.27 0.00 0.00 0.00 173.10 171.17 1uul s LEU 130 N -1.56 1.41 -0.01 0.66 0.20 0.20 -0.46 118.68 119.12 1uul s LEU 130 Ca 0.33 0.00 0.02 0.00 0.69 0.00 0.00 54.13 55.18 1uul s LEU 130 Cb -0.17 -0.10 -0.00 0.00 -0.43 0.00 0.00 46.19 45.49 1uul s LEU 130 CO 0.19 -0.07 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.74 1uul s PHE 131 N 0.69 0.68 -0.37 5.38 0.40 0.43 -0.69 117.98 124.50 1uul s PHE 131 Ca -0.06 -0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.03 1uul s PHE 131 Cb -0.09 -0.46 0.04 0.00 0.51 0.00 0.00 43.02 43.01 1uul s PHE 131 CO -0.02 -0.04 0.19 0.42 0.70 0.00 0.00 175.22 176.47 1uul s ILE 132 N -0.01 4.32 -0.11 0.64 1.01 -0.88 -1.12 121.20 125.06 1uul s ILE 132 Ca 0.01 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.56 1uul s ILE 132 Cb -0.05 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1uul s ILE 132 CO -0.00 -0.26 0.17 -0.63 0.00 0.00 0.00 174.94 174.21 1uul s ILE 133 N 1.50 5.46 0.59 2.92 -1.09 0.09 -0.68 121.20 129.97 1uul s ILE 133 Ca 0.01 0.28 0.03 0.00 -2.23 0.00 0.00 60.65 58.74 1uul s ILE 133 Cb -0.20 -3.44 0.07 0.00 -1.58 0.00 0.00 42.46 37.31 1uul s ILE 133 CO 0.05 0.61 0.81 1.51 -1.23 0.00 0.00 174.94 176.69 1uul s ASP 134 N -1.01 5.03 0.56 3.58 1.47 -0.33 -0.79 116.67 125.17 1uul s ASP 134 Ca 0.16 -0.31 0.29 0.00 1.18 0.00 0.00 52.55 53.87 1uul s ASP 134 Cb -0.13 -0.41 1.46 0.00 -0.34 0.00 0.00 42.92 43.51 1uul s ASP 134 CO 0.05 -1.33 1.92 -0.65 0.68 0.00 0.00 175.17 175.84 1uul h PRO 135 N -0.01 0.00 -0.14 2.11 0.11 -1.81 0.78 132.00 133.04 1uul h PRO 135 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1uul h PRO 135 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1uul h PRO 135 CO 0.46 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.88 1uul n LYS 136 N -4.05 1.48 -2.11 1.05 5.02 -1.26 -1.93 118.16 116.37 1uul n LYS 136 Ca 0.12 -0.74 -0.08 0.00 -2.02 0.00 0.00 58.31 55.59 1uul n LYS 136 Cb 0.74 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.44 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 -0.00 -0.66 -4.04 1.97 1.13 0.27 -4.97 117.38 111.08 1uul n GLN 137 Ca 0.13 0.42 -0.33 0.00 -1.94 0.00 0.00 57.00 55.28 1uul n GLN 137 Cb 0.22 -4.38 -0.06 0.00 0.11 0.00 0.00 30.24 26.13 1uul n GLN 137 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1uul s ASN 138 N -2.64 5.91 0.03 1.08 0.01 -1.25 -0.39 114.94 117.69 1uul s ASN 138 Ca 0.00 0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 52.07 1uul s ASN 138 Cb 0.00 -1.76 -0.06 0.00 0.41 0.00 0.00 41.25 39.85 1uul s ASN 138 CO 0.00 0.28 1.33 -0.22 -1.51 0.00 0.00 177.10 176.98 1uul s LEU 139 N -1.75 4.34 0.00 0.60 2.96 -0.51 -1.19 118.68 123.13 1uul s LEU 139 Ca 0.24 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 1uul s LEU 139 Cb -0.12 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1uul s LEU 139 CO 0.15 -0.63 0.02 0.54 -1.32 0.00 0.00 176.35 175.11 1uul n ARG 140 N 4.72 5.40 -3.68 1.98 1.74 0.14 -0.61 116.66 126.35 1uul n ARG 140 Ca 0.12 -0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 57.06 1uul n ARG 140 Cb 0.44 -0.44 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 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 -0.78 0.55 -0.05 5.56 -0.44 -1.22 -4.96 119.66 118.32 1uul s GLN 141 Ca 0.00 0.85 0.06 0.00 -2.50 0.00 0.00 55.36 53.77 1uul s GLN 141 Cb 0.00 0.14 -0.01 0.00 -1.64 0.00 0.00 33.01 31.50 1uul s GLN 141 CO 0.00 -0.12 -0.22 0.42 0.50 0.00 0.00 175.29 175.86 1uul s ILE 142 N 0.98 1.85 -0.07 -2.34 1.01 -1.26 -2.06 121.20 119.31 1uul s ILE 142 Ca -0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 1uul s ILE 142 Cb -0.06 -1.57 0.04 0.00 0.01 0.00 0.00 42.46 40.88 1uul s ILE 142 CO -0.09 0.52 0.13 -0.89 0.00 0.00 0.00 174.94 174.62 1uul s THR 143 N -0.11 -0.22 -0.09 2.92 2.01 0.14 -5.00 115.64 115.29 1uul s THR 143 Ca -0.03 0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.33 1uul s THR 143 Cb -0.13 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1uul s THR 143 CO 0.03 0.15 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.36 1uul s VAL 144 N 2.26 0.81 -0.01 3.82 1.01 -1.26 0.60 120.40 127.63 1uul s VAL 144 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1uul s VAL 144 Cb -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1uul s VAL 144 CO -0.05 0.32 0.12 0.20 0.00 0.00 0.00 175.10 175.69 1uul s ASN 145 N 1.59 5.92 0.88 3.32 0.02 -0.67 -4.96 114.94 121.04 1uul s ASN 145 Ca 0.01 0.22 -0.10 0.00 -1.02 0.00 0.00 52.86 51.97 1uul s ASN 145 Cb -0.13 -1.76 0.13 0.00 0.02 0.00 0.00 41.25 39.50 1uul s ASN 145 CO -0.05 0.27 1.14 -0.62 0.02 0.00 0.00 177.10 177.86 1uul s ASP 146 N -1.79 3.27 0.26 -1.22 2.15 -1.26 -1.91 116.67 116.17 1uul s ASP 146 Ca 0.24 2.12 -0.01 0.00 0.43 0.00 0.00 52.55 55.33 1uul s ASP 146 Cb -0.12 -2.56 0.55 0.00 -0.30 0.00 0.00 42.92 40.49 1uul s ASP 146 CO 0.15 -2.87 1.72 -0.07 -0.17 0.00 0.00 175.17 173.93 1uul h LEU 147 N -1.69 0.30 -0.74 -1.34 3.38 -1.96 -3.03 115.31 110.22 1uul h LEU 147 Ca -0.43 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1uul h LEU 147 Cb 1.26 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1uul h LEU 147 CO 0.44 0.08 0.00 -2.65 0.09 0.00 0.00 178.44 176.39 1uul n PRO 148 N -5.01 0.18 -4.86 1.13 -0.02 -1.26 -4.69 135.00 120.47 1uul n PRO 148 Ca 0.17 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 1uul n PRO 148 Cb 0.49 -1.87 -0.16 0.00 -0.02 0.00 0.00 33.50 31.95 1uul n PRO 148 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uul s VAL 149 N -3.33 2.38 0.77 -1.45 1.01 -1.15 -5.01 120.40 113.62 1uul s VAL 149 Ca 0.04 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1uul s VAL 149 Cb 0.09 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.56 1uul s VAL 149 CO 0.37 0.54 1.13 -0.83 0.00 0.00 0.00 175.10 176.31 1uul s GLY 150 N 0.56 1.61 0.66 4.51 0.00 -1.26 -4.71 107.32 108.69 1uul s GLY 150 Ca -0.12 -0.44 -0.01 0.00 0.00 0.00 0.00 44.72 44.16 1uul s GLY 150 CO 0.04 -0.01 0.91 0.50 0.00 0.00 0.00 173.10 174.54 1uul s ARG 151 N -5.40 2.06 -0.26 2.90 0.52 -1.26 -5.08 118.95 112.42 1uul s ARG 151 Ca 0.60 -0.88 -0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1uul s ARG 151 Cb -0.12 -2.37 0.03 0.00 0.52 0.00 0.00 34.95 33.02 1uul s ARG 151 CO 0.51 -1.15 -0.05 0.34 0.02 0.00 0.00 175.30 174.97 1uul s ASP 152 N -4.59 4.46 0.28 0.23 2.15 -1.26 -4.99 116.67 112.95 1uul s ASP 152 Ca 0.62 -0.99 -0.02 0.00 0.43 0.00 0.00 52.55 52.59 1uul s ASP 152 Cb -0.08 -1.67 0.42 0.00 -0.30 0.00 0.00 42.92 41.29 1uul s ASP 152 CO 0.42 -0.16 1.91 0.58 -0.17 0.00 0.00 175.17 177.75 1uul h VAL 153 N 6.24 1.13 -0.17 1.11 2.07 -1.98 -1.62 116.25 123.04 1uul h VAL 153 Ca -0.29 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1uul h VAL 153 Cb 1.09 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1uul h VAL 153 CO 0.56 0.21 -0.07 0.44 0.02 0.00 0.00 177.57 178.73 1uul h ASP 154 N 1.17 0.24 0.31 0.57 3.32 -1.99 -1.91 116.42 118.12 1uul h ASP 154 Ca 0.39 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.24 1uul h ASP 154 Cb 0.07 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1uul h ASP 154 CO -0.13 0.34 -0.66 -0.08 -1.72 0.00 0.00 179.24 177.00 1uul h GLU 155 N 0.25 0.33 -0.54 3.56 4.57 -1.73 0.21 114.58 121.23 1uul h GLU 155 Ca 0.05 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 1uul h GLU 155 Cb 0.29 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1uul h GLU 155 CO 0.01 0.87 0.15 0.00 -1.18 0.00 0.00 179.01 178.87 1uul h ALA 156 N 1.07 0.71 -0.29 2.92 0.00 -1.08 -0.44 119.26 122.15 1uul h ALA 156 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1uul h ALA 156 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1uul h ALA 156 CO 0.11 0.38 0.14 1.25 0.00 0.00 0.00 179.25 181.13 1uul h LEU 157 N 0.75 0.37 -0.59 0.00 6.46 -1.12 -0.74 115.31 120.45 1uul h LEU 157 Ca 0.17 -0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1uul h LEU 157 Cb 0.30 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 1uul h LEU 157 CO -0.00 0.39 0.30 -0.09 -0.62 0.00 0.00 178.44 178.42 1uul h ARG 158 N 0.33 0.55 -0.19 1.25 2.43 -0.67 -1.24 114.38 116.84 1uul h ARG 158 Ca 0.10 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1uul h ARG 158 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1uul h ARG 158 CO -0.01 0.37 0.08 -0.07 -1.51 0.00 0.00 179.97 178.82 1uul h LEU 159 N 0.57 0.27 -0.18 3.80 3.38 -0.56 -0.46 115.31 122.12 1uul h LEU 159 Ca 0.27 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1uul h LEU 159 Cb 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1uul h LEU 159 CO -0.18 0.36 0.01 0.58 0.09 0.00 0.00 178.44 179.29 1uul h VAL 160 N 0.16 0.88 -0.79 1.22 2.07 -0.79 -0.14 116.25 118.86 1uul h VAL 160 Ca 0.06 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1uul h VAL 160 Cb 0.17 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1uul h VAL 160 CO -0.01 0.01 0.50 0.11 0.02 0.00 0.00 177.57 178.21 1uul h LYS 161 N 0.07 0.95 -0.73 1.57 1.57 -1.01 0.49 116.57 119.49 1uul h LYS 161 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1uul h LYS 161 Cb 0.10 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1uul h LYS 161 CO -0.14 0.63 0.38 0.00 -0.57 0.00 0.00 179.45 179.75 1uul h ALA 162 N 1.33 0.94 -0.16 3.86 0.00 -0.21 0.12 119.26 125.14 1uul h ALA 162 Ca 0.32 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1uul h ALA 162 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1uul h ALA 162 CO -0.11 0.47 -0.45 0.74 0.00 0.00 0.00 179.25 179.90 1uul h PHE 163 N 1.01 0.49 -0.56 0.00 -1.00 -0.14 -1.17 116.94 115.57 1uul h PHE 163 Ca 0.25 -0.15 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 1uul h PHE 163 Cb 0.07 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1uul h PHE 163 CO 0.00 0.79 -0.01 1.96 -1.61 0.00 0.00 178.31 179.43 1uul h GLN 164 N 0.33 0.98 -0.70 1.51 4.20 -0.19 -1.51 115.11 119.72 1uul h GLN 164 Ca 0.02 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 1uul h GLN 164 Cb 0.93 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1uul h GLN 164 CO 0.08 0.97 0.32 0.35 -0.67 0.00 0.00 178.83 179.88 1uul h PHE 165 N 0.89 1.02 -0.33 2.96 3.04 -0.27 -2.53 116.94 121.74 1uul h PHE 165 Ca 0.16 -0.06 -0.17 0.00 3.98 0.00 0.00 57.97 61.88 1uul h PHE 165 Cb 0.54 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 38.74 1uul h PHE 165 CO 0.03 0.77 -0.46 0.28 -2.02 0.00 0.00 178.31 176.91 1uul h VAL 166 N 0.98 1.28 0.00 1.41 2.07 -0.82 -2.44 116.25 118.73 1uul h VAL 166 Ca 0.24 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1uul h VAL 166 Cb 0.14 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1uul h VAL 166 CO -0.03 0.54 0.00 -0.62 0.02 0.00 0.00 177.57 177.48 1uul n GLU 167 N -4.05 0.05 -0.05 1.57 1.02 -0.61 -2.06 120.64 116.51 1uul n GLU 167 Ca -0.04 0.22 -0.03 0.00 -0.02 0.00 0.00 57.16 57.29 1uul n GLU 167 Cb 0.59 -1.50 -0.11 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 -1.45 1.33 0.00 3.49 4.81 -0.98 -4.72 118.16 120.65 1uul n LYS 168 Ca 0.05 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1uul n LYS 168 Cb 0.16 -1.36 -0.00 0.00 0.02 0.00 0.00 35.03 33.85 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 -2.38 0.00 -0.74 5.64 8.25 -0.94 -4.99 115.22 120.06 1uul n HIS 169 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1uul n HIS 169 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.91 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 0.49 0.46 3.91 -1.41 0.00 -0.87 -4.97 105.19 102.78 1uul n GLY 170 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.55 3.62 -0.01 1.61 2.02 -1.26 -4.57 118.70 119.55 1uul s GLU 171 Ca 0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 54.97 54.94 1uul s GLU 171 Cb 0.00 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 1uul s GLU 171 CO 0.00 0.24 0.15 0.08 0.02 0.00 0.00 175.26 175.75 1uul s VAL 172 N -2.04 5.20 -0.31 2.63 1.01 0.72 -4.41 120.40 123.20 1uul s VAL 172 Ca 0.43 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 1uul s VAL 172 Cb -0.11 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1uul s VAL 172 CO 0.29 0.34 0.43 0.00 0.00 0.00 0.00 175.10 176.16 1uul n PRO 174 N 5.49 -4.05 -2.22 0.00 -0.02 -1.26 -4.89 135.00 128.06 1uul n PRO 174 Ca -0.07 -1.14 -0.40 0.00 -2.02 0.00 0.00 63.50 59.87 1uul n PRO 174 Cb 0.50 -1.42 -0.02 0.00 -0.02 0.00 0.00 33.50 32.53 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 -2.19 3.39 0.00 3.55 0.00 -1.26 -3.00 121.76 122.25 1uul s ALA 175 Ca 0.51 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1uul s ALA 175 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1uul s ALA 175 CO 0.43 -0.54 0.00 0.09 0.00 0.00 0.00 175.76 175.74 1uul n ASN 176 N 0.69 -4.89 -4.52 0.00 3.02 -1.26 -4.92 115.26 103.37 1uul n ASN 176 Ca 0.01 0.00 -0.57 0.00 -0.03 0.00 0.00 54.58 53.99 1uul n ASN 176 Cb 0.43 -2.58 -0.07 0.00 -0.61 0.00 0.00 39.78 36.95 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 -2.28 0.82 -4.30 3.10 -0.00 -1.16 -4.99 117.44 108.62 1uul n TRP 177 Ca 0.00 0.96 -0.19 0.00 -0.00 0.00 0.00 57.50 58.27 1uul n TRP 177 Cb 0.34 -2.14 -0.11 0.00 -0.00 0.00 0.00 31.31 29.40 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 0.08 1.19 0.15 5.87 1.02 -1.26 -5.01 119.74 121.78 1uul s LYS 178 Ca 0.89 -1.41 -0.34 0.00 0.02 0.00 0.00 55.97 55.13 1uul s LYS 178 Cb -1.19 -1.09 -0.15 0.00 -0.52 0.00 0.00 37.83 34.89 1uul s LYS 178 CO 0.55 0.20 1.47 -2.30 -0.92 0.00 0.00 175.35 174.35 1uul n PRO 179 N 0.15 1.81 0.00 -1.68 -0.02 -1.26 -1.48 135.00 132.52 1uul n PRO 179 Ca -0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1uul n PRO 179 Cb 0.58 -2.36 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 2.95 1.98 3.83 -1.23 0.00 -1.26 -5.07 105.19 106.39 1uul n GLY 180 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1uul n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uul s ASP 181 N -1.50 5.16 -0.12 1.61 1.01 -0.55 -4.99 116.67 117.29 1uul s ASP 181 Ca 0.00 1.43 -0.30 0.00 0.71 0.00 0.00 52.55 54.40 1uul s ASP 181 Cb 0.00 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 1uul s ASP 181 CO 0.00 -1.56 1.26 -0.75 0.21 0.00 0.00 175.17 174.33 1uul s LYS 182 N -5.13 4.27 0.44 8.23 2.47 -1.26 -4.96 119.74 123.80 1uul s LYS 182 Ca 0.59 1.70 0.07 0.00 -1.56 0.00 0.00 55.97 56.77 1uul s LYS 182 Cb -0.14 -3.69 -0.01 0.00 -1.46 0.00 0.00 37.83 32.53 1uul s LYS 182 CO 0.54 -0.62 0.39 0.95 0.16 0.00 0.00 175.35 176.77 1uul s THR 183 N 3.03 2.48 0.26 3.43 -4.23 -1.26 -4.66 115.64 114.68 1uul s THR 183 Ca 0.56 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1uul s THR 183 Cb -0.23 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 1uul s THR 183 CO 0.18 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.39 1uul s MET 184 N -4.16 1.42 -0.14 3.99 0.23 -1.07 -4.94 119.30 114.62 1uul s MET 184 Ca 0.46 -1.78 -0.08 0.00 -1.03 0.00 0.00 55.69 53.27 1uul s MET 184 Cb -0.03 -0.06 -0.04 0.00 -1.53 0.00 0.00 34.83 33.17 1uul s MET 184 CO 0.27 -0.37 0.14 0.15 -2.03 0.00 0.00 175.02 173.18 1uul s LYS 185 N -3.99 3.69 0.00 3.16 1.02 -1.26 -0.20 119.74 122.16 1uul s LYS 185 Ca 0.38 -0.15 -0.03 0.00 0.02 0.00 0.00 55.97 56.19 1uul s LYS 185 Cb 0.07 -3.27 -0.13 0.00 -0.52 0.00 0.00 37.83 33.98 1uul s LYS 185 CO 0.15 0.62 2.06 -2.30 -0.92 0.00 0.00 175.35 174.96 1uul n PRO 186 N 2.48 1.01 -4.08 -1.68 -0.02 -1.26 -4.15 135.00 127.31 1uul n PRO 186 Ca -0.19 -0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 60.66 1uul n PRO 186 Cb 0.54 -1.71 -0.14 0.00 -0.02 0.00 0.00 33.50 32.16 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 2.42 0.46 0.08 2.55 -1.08 -1.26 -5.08 116.67 114.76 1uul s ASP 187 Ca 0.32 -0.07 -0.23 0.00 -0.52 0.00 0.00 52.55 52.06 1uul s ASP 187 Cb 0.15 -0.07 -0.09 0.00 -1.46 0.00 0.00 42.92 41.45 1uul s ASP 187 CO 0.00 0.03 1.37 -0.65 0.52 0.00 0.00 175.17 176.44 1uul h PRO 188 N 6.17 -0.39 0.47 4.34 0.11 -1.99 -2.15 132.00 138.55 1uul h PRO 188 Ca -0.28 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1uul h PRO 188 Cb 1.19 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1uul h PRO 188 CO 0.50 -0.26 -0.30 1.49 -0.21 0.00 0.00 178.00 179.23 1uul h GLU 189 N -0.40 -0.69 0.00 1.05 4.81 -1.98 -3.07 114.58 114.30 1uul h GLU 189 Ca 0.02 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1uul h GLU 189 Cb 0.46 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1uul h GLU 189 CO -0.28 -0.46 0.08 1.17 -0.73 0.00 0.00 179.01 178.78 1uul n LYS 190 N -4.21 0.00 0.00 1.92 4.81 -1.21 -0.11 118.16 119.36 1uul n LYS 190 Ca -0.09 0.20 0.09 0.00 -0.87 0.00 0.00 58.31 57.65 1uul n LYS 190 Cb 0.30 -1.58 -0.10 0.00 0.02 0.00 0.00 35.03 33.67 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 -1.14 1.03 0.32 3.14 3.41 -0.81 -4.33 113.62 115.23 1uul n SER 191 Ca 0.00 -1.02 0.20 0.00 -0.26 0.00 0.00 58.87 57.80 1uul n SER 191 Cb 0.08 0.94 1.05 0.00 -0.26 0.00 0.00 64.21 66.02 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 0.27 0.00 0.00 4.33 1.79 -0.60 -1.11 116.57 121.25 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 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1uul h LYS 192 CO 0.00 0.01 0.00 1.05 -1.08 0.00 0.00 179.45 179.43 1uul h GLU 193 N 0.00 0.00 0.21 3.15 4.11 -1.77 -2.87 114.58 117.42 1uul h GLU 193 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 1uul h GLU 193 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.42 1uul h GLU 193 CO 0.00 0.00 -1.25 -0.92 0.07 0.00 0.00 179.01 176.91 1uul h TYR 194 N 0.00 0.82 0.00 2.06 3.20 -1.49 -3.32 116.97 118.24 1uul h TYR 194 Ca 0.00 -0.60 -0.00 0.00 3.14 0.00 0.00 58.73 61.27 1uul h TYR 194 Cb 0.80 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 1uul h TYR 194 CO 0.00 1.48 -0.01 0.74 -1.64 0.00 0.00 178.16 178.73 1uul h PHE 195 N -0.04 0.00 -0.34 -3.82 0.04 -1.50 -3.26 116.94 108.01 1uul h PHE 195 Ca -0.22 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.08 1uul h PHE 195 Cb 1.98 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.11 1uul h PHE 195 CO 0.15 0.01 1.61 0.41 -0.60 0.00 0.00 178.31 179.89 1uul n GLY 196 N -0.29 1.72 0.00 -1.45 0.00 -1.09 -5.13 105.19 98.95 1uul n GLY 196 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32