#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 0.01 -3.64 1.61 -0.00 -1.16 -4.38 120.64 113.08 1uul n GLU 5 Ca 0.00 -0.00 -0.40 0.00 -0.00 0.00 0.00 57.16 56.76 1uul n GLU 5 Cb 0.00 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 29.83 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 2.13 3.23 0.04 -1.84 0.00 -1.17 -4.68 121.76 119.46 1uul s ALA 6 Ca 0.00 -1.95 0.06 0.00 0.00 0.00 0.00 51.96 50.07 1uul s ALA 6 Cb 0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1uul s ALA 6 CO 0.00 -1.51 -0.12 -1.21 0.00 0.00 0.00 175.76 172.92 1uul s GLU 7 N 1.45 2.28 0.51 0.00 2.02 -1.26 -5.02 118.70 118.67 1uul s GLU 7 Ca 0.02 -0.88 -0.23 0.00 0.02 0.00 0.00 54.97 53.90 1uul s GLU 7 Cb -0.21 -2.33 -0.06 0.00 0.10 0.00 0.00 34.13 31.63 1uul s GLU 7 CO 0.03 0.56 1.33 -0.51 0.02 0.00 0.00 175.26 176.69 1uul s ASP 8 N -1.55 5.59 -1.61 -0.19 1.01 -1.26 -2.82 116.67 115.84 1uul s ASP 8 Ca 0.17 2.70 0.00 0.00 0.71 0.00 0.00 52.55 56.12 1uul s ASP 8 Cb -0.11 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1uul s ASP 8 CO 0.07 -1.34 0.00 0.18 0.21 0.00 0.00 175.17 174.29 1uul n LEU 9 N -0.73 -1.09 -4.46 1.23 7.99 0.48 -4.95 117.00 115.48 1uul n LEU 9 Ca 0.09 0.38 -0.24 0.00 -0.01 0.00 0.00 56.01 56.22 1uul n LEU 9 Cb 0.45 -2.27 -0.10 0.00 -0.11 0.00 0.00 43.42 41.39 1uul n LEU 9 CO 0.53 -0.82 -0.49 -1.00 -1.51 0.00 0.00 177.39 174.10 1uul s HIS 10 N -2.54 2.27 0.17 -1.77 3.76 -1.13 -4.90 115.29 111.15 1uul s HIS 10 Ca 0.00 -0.34 -0.34 0.00 -0.15 0.00 0.00 55.06 54.23 1uul s HIS 10 Cb 0.00 -1.01 -0.14 0.00 1.11 0.00 0.00 32.58 32.54 1uul s HIS 10 CO 0.00 0.67 1.50 -2.30 -0.85 0.00 0.00 174.74 173.76 1uul n PRO 11 N -0.45 1.99 -1.97 8.40 -0.02 -1.26 -1.36 135.00 140.33 1uul n PRO 11 Ca -0.06 0.72 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 1uul n PRO 11 Cb 0.59 -2.44 0.01 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.61 3.03 0.15 3.55 0.00 0.06 -4.76 121.76 124.40 1uul s ALA 12 Ca 0.77 1.23 -0.32 0.00 0.00 0.00 0.00 51.96 53.63 1uul s ALA 12 Cb -0.70 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 18.79 1uul s ALA 12 CO 0.42 -1.03 1.77 -2.30 0.00 0.00 0.00 175.76 174.62 1uul n PRO 13 N -0.48 2.69 -2.52 0.00 -0.02 -1.26 -4.91 135.00 128.49 1uul n PRO 13 Ca 0.07 0.97 -0.41 0.00 -2.02 0.00 0.00 63.50 62.12 1uul n PRO 13 Cb 0.45 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 31.05 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 1.96 7.30 0.17 2.55 2.15 -1.26 -5.03 116.67 124.51 1uul s ASP 14 Ca 0.79 2.13 0.05 0.00 0.43 0.00 0.00 52.55 55.95 1uul s ASP 14 Cb -0.52 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.44 1uul s ASP 14 CO 0.36 -0.17 -0.11 0.72 -0.17 0.00 0.00 175.17 175.80 1uul s PHE 15 N -0.56 1.41 -0.45 -5.34 -0.12 -1.26 -5.01 117.98 106.64 1uul s PHE 15 Ca 0.47 -0.71 0.07 0.00 -0.05 0.00 0.00 56.93 56.71 1uul s PHE 15 Cb -0.30 -0.70 0.19 0.00 -0.63 0.00 0.00 43.02 41.58 1uul s PHE 15 CO 0.36 0.16 0.70 1.21 -0.05 0.00 0.00 175.22 177.60 1uul s ASN 16 N -3.22 -1.42 0.33 1.98 2.47 -1.26 -1.72 114.94 112.11 1uul s ASN 16 Ca 0.19 -1.11 0.05 0.00 0.42 0.00 0.00 52.86 52.40 1uul s ASN 16 Cb 0.02 1.84 -0.07 0.00 -1.45 0.00 0.00 41.25 41.59 1uul s ASN 16 CO 0.03 -0.11 0.04 -1.61 -3.72 0.00 0.00 177.10 171.72 1uul s GLU 17 N 1.45 1.69 0.38 0.43 0.41 -0.95 -4.87 118.70 117.24 1uul s GLU 17 Ca 0.22 -1.93 -0.27 0.00 -0.41 0.00 0.00 54.97 52.58 1uul s GLU 17 Cb -0.02 -1.02 -0.09 0.00 -1.78 0.00 0.00 34.13 31.23 1uul s GLU 17 CO -0.07 -0.14 1.24 0.99 -0.49 0.00 0.00 175.26 176.79 1uul s THR 18 N -3.18 2.88 0.06 3.63 2.01 -1.26 -0.52 115.64 119.26 1uul s THR 18 Ca 0.36 0.80 0.01 0.00 0.31 0.00 0.00 61.69 63.16 1uul s THR 18 Cb 0.08 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1uul s THR 18 CO 0.16 0.12 -0.05 0.00 -0.69 0.00 0.00 174.62 174.16 1uul s ALA 19 N -1.28 0.59 -0.35 7.40 0.00 0.60 -1.42 121.76 127.31 1uul s ALA 19 Ca 0.54 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.25 1uul s ALA 19 Cb -0.35 0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1uul s ALA 19 CO 0.46 -0.21 0.71 -1.17 0.00 0.00 0.00 175.76 175.55 1uul s LEU 20 N -2.37 4.18 0.50 0.00 2.96 -0.10 -2.13 118.68 121.71 1uul s LEU 20 Ca 0.00 0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 54.12 1uul s LEU 20 Cb -0.00 -2.91 -0.06 0.00 0.50 0.00 0.00 46.19 43.72 1uul s LEU 20 CO -0.04 -0.63 0.88 -0.04 -1.32 0.00 0.00 176.35 175.20 1uul s MET 21 N 2.87 3.72 0.38 1.98 -1.94 -0.10 -1.52 119.30 124.69 1uul s MET 21 Ca 0.28 0.58 0.13 0.00 -1.71 0.00 0.00 55.69 54.97 1uul s MET 21 Cb -0.14 -2.26 0.96 0.00 2.01 0.00 0.00 34.83 35.40 1uul s MET 21 CO 0.15 -0.25 1.83 -1.35 -0.01 0.00 0.00 175.02 175.39 1uul h PRO 22 N 0.59 0.53 0.00 2.03 0.11 -1.79 0.18 132.00 133.65 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 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1uul h PRO 22 CO 0.62 0.35 0.00 0.27 -0.21 0.00 0.00 178.00 179.03 1uul n ASN 23 N -4.59 0.00 0.00 -2.05 2.04 -1.26 -4.59 115.26 104.80 1uul n ASN 23 Ca 0.21 -0.41 0.00 0.00 -0.44 0.00 0.00 54.58 53.93 1uul n ASN 23 Cb 0.65 -0.15 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 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 0.73 0.80 4.01 4.83 0.00 0.63 -5.09 105.19 111.11 1uul n GLY 24 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 2.13 -0.18 2.61 -4.23 -1.25 -4.82 115.64 107.89 1uul s THR 25 Ca 0.00 -0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 59.69 1uul s THR 25 Cb 0.00 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 1uul s THR 25 CO 0.00 0.00 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.65 1uul s PHE 26 N -2.91 2.93 0.00 3.99 0.08 -1.26 -0.92 117.98 119.89 1uul s PHE 26 Ca 0.64 -0.72 -0.09 0.00 0.12 0.00 0.00 56.93 56.89 1uul s PHE 26 Cb -0.05 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1uul s PHE 26 CO 0.42 -0.35 0.17 0.21 -0.10 0.00 0.00 175.22 175.57 1uul s LYS 27 N 0.93 0.53 0.15 0.44 2.20 -0.90 -4.94 119.74 118.14 1uul s LYS 27 Ca -0.01 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1uul s LYS 27 Cb -0.15 0.22 -0.07 0.00 -1.51 0.00 0.00 37.83 36.33 1uul s LYS 27 CO 0.00 -0.13 1.08 0.15 -0.36 0.00 0.00 175.35 176.09 1uul s LYS 28 N -1.45 4.60 -0.10 4.03 -0.14 -1.26 -0.29 119.74 125.13 1uul s LYS 28 Ca -0.14 1.66 0.04 0.00 -1.36 0.00 0.00 55.97 56.17 1uul s LYS 28 Cb -0.07 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.78 1uul s LYS 28 CO 0.02 0.07 -0.22 0.08 -0.76 0.00 0.00 175.35 174.54 1uul s VAL 29 N -0.06 1.93 -0.02 3.17 1.01 0.32 -4.91 120.40 121.85 1uul s VAL 29 Ca 0.50 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1uul s VAL 29 Cb -0.28 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1uul s VAL 29 CO 0.33 0.53 -0.23 0.00 0.00 0.00 0.00 175.10 175.73 1uul s ALA 30 N 0.44 2.29 0.27 5.51 0.00 -1.26 -2.25 121.76 126.76 1uul s ALA 30 Ca -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1uul s ALA 30 Cb -0.17 -0.64 0.55 0.00 0.00 0.00 0.00 23.12 22.86 1uul s ALA 30 CO 0.07 0.54 1.80 1.25 0.00 0.00 0.00 175.76 179.41 1uul h LEU 31 N 5.36 0.73 -1.44 0.00 5.85 -1.73 -0.55 115.31 123.53 1uul h LEU 31 Ca -0.44 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1uul h LEU 31 Cb 1.13 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1uul h LEU 31 CO 0.47 0.34 0.00 0.71 -0.34 0.00 0.00 178.44 179.63 1uul h THR 32 N 0.79 0.00 0.00 1.05 1.35 -1.96 -0.88 112.91 113.26 1uul h THR 32 Ca 0.48 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.32 1uul h THR 32 Cb 0.59 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1uul h THR 32 CO -0.31 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.42 1uul n SER 33 N -2.29 0.36 -0.96 5.36 3.41 -0.22 -1.91 113.62 117.37 1uul n SER 33 Ca -0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1uul n SER 33 Cb 0.05 -0.66 0.19 0.00 -0.26 0.00 0.00 64.21 63.54 1uul n SER 33 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1uul n TYR 34 N -1.88 0.17 -1.65 7.33 4.02 -0.33 -4.94 117.16 119.87 1uul n TYR 34 Ca 0.04 -0.08 -0.54 0.00 -0.01 0.00 0.00 57.90 57.30 1uul n TYR 34 Cb 0.25 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.51 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 1.24 1.17 0.00 -0.72 4.81 -0.80 -0.35 118.16 123.52 1uul n LYS 35 Ca 0.16 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1uul n LYS 35 Cb 0.57 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.53 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 3.29 3.32 3.81 3.14 0.00 -0.73 -5.05 105.19 112.97 1uul n GLY 36 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.79 2.47 0.16 1.61 -0.14 0.53 -4.75 119.74 118.83 1uul s LYS 37 Ca 0.00 -1.55 -0.15 0.00 -1.36 0.00 0.00 55.97 52.91 1uul s LYS 37 Cb 0.00 -2.27 -0.07 0.00 -1.68 0.00 0.00 37.83 33.81 1uul s LYS 37 CO 0.00 -0.05 0.58 -1.58 -0.76 0.00 0.00 175.35 173.54 1uul s TRP 38 N -2.45 3.60 -0.04 3.18 0.52 -0.25 -2.49 118.94 121.00 1uul s TRP 38 Ca 0.43 1.10 0.03 0.00 0.02 0.00 0.00 56.10 57.68 1uul s TRP 38 Cb -0.02 -2.40 0.00 0.00 -1.15 0.00 0.00 33.47 29.90 1uul s TRP 38 CO 0.25 0.40 -0.13 -1.17 0.02 0.00 0.00 176.95 176.32 1uul s LEU 39 N -2.03 1.81 -0.37 2.99 2.96 0.26 0.39 118.68 124.68 1uul s LEU 39 Ca 0.39 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1uul s LEU 39 Cb -0.15 -0.81 0.05 0.00 0.50 0.00 0.00 46.19 45.78 1uul s LEU 39 CO 0.19 0.10 0.18 -0.69 -1.32 0.00 0.00 176.35 174.81 1uul s VAL 40 N 0.25 4.09 -0.22 1.68 1.01 0.11 -0.70 120.40 126.61 1uul s VAL 40 Ca -0.06 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 1uul s VAL 40 Cb -0.12 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1uul s VAL 40 CO 0.02 -0.31 0.34 -0.22 0.00 0.00 0.00 175.10 174.94 1uul s LEU 41 N 1.44 4.13 -0.03 3.92 2.96 -0.33 -1.10 118.68 129.66 1uul s LEU 41 Ca 0.01 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 1uul s LEU 41 Cb -0.21 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.08 1uul s LEU 41 CO 0.03 -0.06 -0.08 0.72 -1.32 0.00 0.00 176.35 175.64 1uul s PHE 42 N 1.38 0.93 0.15 5.38 -0.71 -0.04 -0.58 117.98 124.50 1uul s PHE 42 Ca 0.16 -0.25 -0.01 0.00 -1.04 0.00 0.00 56.93 55.79 1uul s PHE 42 Cb -0.15 -0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 40.93 1uul s PHE 42 CO 0.07 -0.12 0.34 -0.06 -1.34 0.00 0.00 175.22 174.11 1uul s PHE 43 N 0.33 3.49 0.04 3.49 0.40 0.71 -1.20 117.98 125.23 1uul s PHE 43 Ca -0.05 0.33 -0.05 0.00 -0.60 0.00 0.00 56.93 56.56 1uul s PHE 43 Cb -0.10 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 1uul s PHE 43 CO 0.01 0.45 0.08 1.52 0.70 0.00 0.00 175.22 177.98 1uul s TYR 44 N -1.74 0.24 0.01 0.36 -0.85 -0.73 -3.79 117.35 110.86 1uul s TYR 44 Ca 0.38 -0.59 -0.25 0.00 -0.52 0.00 0.00 57.07 56.08 1uul s TYR 44 Cb -0.12 -0.17 -0.15 0.00 0.38 0.00 0.00 41.96 41.90 1uul s TYR 44 CO 0.28 -0.37 1.16 -1.35 -1.52 0.00 0.00 175.55 173.75 1uul h PRO 45 N 3.59 -0.64 -2.85 -3.49 0.11 -1.79 -3.41 132.00 123.52 1uul h PRO 45 Ca -0.33 0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.69 1uul h PRO 45 Cb 1.18 0.14 -0.25 0.00 0.11 0.00 0.00 31.00 32.19 1uul h PRO 45 CO 0.52 -0.33 -0.30 -1.64 -0.21 0.00 0.00 178.00 176.04 1uul s MET 46 N -4.64 0.41 0.79 1.05 -1.94 -1.26 -4.31 119.30 109.40 1uul s MET 46 Ca -0.14 0.53 -0.13 0.00 -1.71 0.00 0.00 55.69 54.24 1uul s MET 46 Cb 0.02 0.17 0.07 0.00 2.01 0.00 0.00 34.83 37.11 1uul s MET 46 CO 0.48 -0.06 1.17 -0.51 -0.01 0.00 0.00 175.02 176.09 1uul s ASP 47 N 0.33 3.88 -1.67 3.03 1.01 -1.26 -3.46 116.67 118.53 1uul s ASP 47 Ca -0.01 2.23 0.00 0.00 0.71 0.00 0.00 52.55 55.47 1uul s ASP 47 Cb -0.03 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1uul s ASP 47 CO -0.01 -2.47 0.00 0.49 0.21 0.00 0.00 175.17 173.39 1uul n PHE 48 N -3.27 -0.31 -0.12 4.23 3.72 -1.26 -4.99 117.46 115.46 1uul n PHE 48 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1uul n PHE 48 Cb 0.51 -3.11 0.00 0.00 -0.94 0.00 0.00 39.48 35.94 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 -3.08 0.00 0.05 4.37 -2.24 -1.23 -5.13 114.28 107.02 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 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.17 -0.14 4.78 3.72 -1.26 -4.60 117.46 119.79 1uul n PHE 50 Ca 0.00 0.03 -0.06 0.00 -0.05 0.00 0.00 57.45 57.37 1uul n PHE 50 Cb 0.00 0.04 0.12 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.59 -4.37 2.07 -1.94 -3.33 116.25 109.33 1uul h VAL 51 Ca 0.00 -1.04 0.12 0.00 0.82 0.00 0.00 66.70 66.60 1uul h VAL 51 Cb 0.00 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 1uul h VAL 51 CO 0.00 0.37 0.05 0.00 0.02 0.00 0.00 177.57 178.01 1uul h PRO 53 N 0.17 0.28 -0.89 0.00 0.11 -1.81 0.31 132.00 130.16 1uul h PRO 53 Ca 0.31 -0.05 0.13 0.00 0.11 0.00 0.00 66.00 66.50 1uul h PRO 53 Cb 0.49 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.48 1uul h PRO 53 CO -0.46 0.33 0.57 1.79 -0.21 0.00 0.00 178.00 180.02 1uul h THR 54 N 0.16 0.87 0.24 -1.15 1.35 -1.63 0.35 112.91 113.10 1uul h THR 54 Ca 0.06 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1uul h THR 54 Cb 0.15 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1uul h THR 54 CO -0.01 0.14 -0.12 -0.33 -0.25 0.00 0.00 175.52 174.95 1uul h GLU 55 N 0.75 -0.31 -0.61 4.72 5.08 -1.01 -2.64 114.58 120.55 1uul h GLU 55 Ca 0.44 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.83 1uul h GLU 55 Cb 0.63 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1uul h GLU 55 CO -0.20 0.05 0.40 0.82 -1.00 0.00 0.00 179.01 179.08 1uul h ILE 56 N -0.85 1.13 -0.10 3.13 2.04 -0.48 -1.48 117.51 120.91 1uul h ILE 56 Ca -0.03 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1uul h ILE 56 Cb 0.51 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1uul h ILE 56 CO 0.05 0.15 0.06 0.00 0.00 0.00 0.00 178.15 178.41 1uul h GLN 58 N 0.09 -0.05 -0.93 0.00 1.08 -1.11 0.35 115.11 114.55 1uul h GLN 58 Ca 0.04 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.28 1uul h GLN 58 Cb 0.04 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 1uul h GLN 58 CO -0.01 -0.03 0.61 0.74 -0.95 0.00 0.00 178.83 179.19 1uul h PHE 59 N -0.05 1.12 -0.33 2.96 0.04 -0.91 -1.49 116.94 118.28 1uul h PHE 59 Ca 0.15 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.77 1uul h PHE 59 Cb 0.28 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 1uul h PHE 59 CO -0.32 0.64 -0.48 1.03 -0.60 0.00 0.00 178.31 178.58 1uul h SER 60 N 1.15 1.00 -0.43 2.17 0.87 -0.19 -2.10 113.55 116.01 1uul h SER 60 Ca 0.37 -0.50 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 1uul h SER 60 Cb 0.04 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1uul h SER 60 CO -0.12 1.31 0.12 0.44 -0.53 0.00 0.00 176.83 178.05 1uul h ASP 61 N 0.72 0.69 -0.57 6.23 3.32 0.26 -3.02 116.42 124.05 1uul h ASP 61 Ca 0.03 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1uul h ASP 61 Cb 1.09 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1uul h ASP 61 CO 0.11 0.68 0.00 0.54 -1.72 0.00 0.00 179.24 178.86 1uul n ARG 62 N -4.29 4.05 -0.39 3.56 1.74 -0.61 -4.64 116.66 116.07 1uul n ARG 62 Ca 0.03 -2.96 -0.04 0.00 -0.77 0.00 0.00 57.85 54.12 1uul n ARG 62 Cb 0.21 -2.00 0.00 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 3.76 0.00 -0.70 1.55 2.07 -1.24 -1.49 116.25 120.19 1uul h VAL 63 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1uul h VAL 63 Cb 1.62 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1uul h VAL 63 CO 0.32 0.00 0.47 0.50 0.02 0.00 0.00 177.57 178.88 1uul h LYS 64 N -0.00 0.36 -0.40 1.57 1.63 -1.87 0.34 116.57 118.21 1uul h LYS 64 Ca 0.30 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1uul h LYS 64 Cb 0.55 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1uul h LYS 64 CO -0.98 0.24 0.26 0.93 -3.45 0.00 0.00 179.45 176.45 1uul h GLU 65 N 0.37 0.53 0.11 1.90 5.08 -1.63 0.45 114.58 121.39 1uul h GLU 65 Ca 0.34 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.49 1uul h GLU 65 Cb 0.81 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1uul h GLU 65 CO -0.10 0.36 -0.81 0.74 -1.00 0.00 0.00 179.01 178.20 1uul h PHE 66 N 0.55 0.41 -0.16 4.33 0.04 -0.45 -3.36 116.94 118.31 1uul h PHE 66 Ca 0.15 -0.30 -0.06 0.00 2.80 0.00 0.00 57.97 60.56 1uul h PHE 66 Cb -0.06 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1uul h PHE 66 CO 0.00 1.31 -0.17 0.66 -0.60 0.00 0.00 178.31 179.52 1uul h SER 67 N -0.49 0.24 0.25 2.17 4.64 -0.61 -1.55 113.55 118.21 1uul h SER 67 Ca -0.16 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1uul h SER 67 Cb 1.54 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1uul h SER 67 CO 0.09 0.43 -0.03 0.44 -0.87 0.00 0.00 176.83 176.89 1uul h ASP 68 N 0.24 0.00 -0.23 4.97 3.32 -0.25 -1.96 116.42 122.51 1uul h ASP 68 Ca 0.05 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1uul h ASP 68 Cb 0.44 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 1uul h ASP 68 CO 0.03 0.03 -0.08 2.30 -1.72 0.00 0.00 179.24 179.79 1uul n ILE 69 N -3.38 2.33 -1.60 0.35 -6.64 -0.65 -4.95 119.36 104.82 1uul n ILE 69 Ca -0.02 -2.46 0.00 0.00 -1.77 0.00 0.00 62.75 58.50 1uul n ILE 69 Cb 0.15 -0.28 0.00 0.00 -1.44 0.00 0.00 39.64 38.07 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 -0.99 0.47 3.01 3.28 0.00 -0.74 -4.95 105.19 105.27 1uul n GLY 70 Ca 0.25 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 0.69 3.45 0.01 0.00 0.41 0.16 -2.56 118.70 120.85 1uul s GLU 72 Ca -0.14 -0.56 0.04 0.00 -0.41 0.00 0.00 54.97 53.90 1uul s GLU 72 Cb -0.16 -2.78 -0.01 0.00 -1.78 0.00 0.00 34.13 29.40 1uul s GLU 72 CO 0.03 0.28 -0.13 0.14 -0.49 0.00 0.00 175.26 175.09 1uul s VAL 73 N -2.15 1.06 -0.03 2.63 -7.23 -1.26 -0.71 120.40 112.70 1uul s VAL 73 Ca 0.37 -0.71 -0.01 0.00 -1.81 0.00 0.00 61.98 59.83 1uul s VAL 73 Cb -0.09 -0.91 0.03 0.00 0.56 0.00 0.00 36.38 35.97 1uul s VAL 73 CO 0.32 0.20 0.05 -0.22 -0.31 0.00 0.00 175.10 175.15 1uul s LEU 74 N -0.58 0.63 0.36 1.32 2.96 -0.26 -4.44 118.68 118.68 1uul s LEU 74 Ca 0.04 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1uul s LEU 74 Cb -0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.55 1uul s LEU 74 CO 0.00 -0.18 0.55 0.00 -1.32 0.00 0.00 176.35 175.40 1uul s ALA 75 N 1.57 3.82 -0.18 5.97 0.00 -1.04 -0.86 121.76 131.03 1uul s ALA 75 Ca -0.03 -1.07 -0.22 0.00 0.00 0.00 0.00 51.96 50.64 1uul s ALA 75 Cb -0.12 -2.01 0.06 0.00 0.00 0.00 0.00 23.12 21.04 1uul s ALA 75 CO -0.03 -0.10 0.60 0.00 0.00 0.00 0.00 175.76 176.23 1uul s SER 77 N -0.07 -0.23 0.51 0.00 1.04 -1.09 -1.77 113.70 112.09 1uul s SER 77 Ca -0.03 -0.67 0.19 0.00 0.48 0.00 0.00 55.95 55.92 1uul s SER 77 Cb -0.04 0.72 1.31 0.00 0.10 0.00 0.00 66.02 68.11 1uul s SER 77 CO 0.03 -1.33 2.12 -0.03 0.98 0.00 0.00 173.24 175.00 1uul h MET 78 N 2.03 0.00 -7.30 4.02 4.05 -1.79 -0.30 114.93 115.65 1uul h MET 78 Ca -0.20 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.70 1uul h MET 78 Cb 1.25 0.00 0.13 0.00 -0.80 0.00 0.00 31.60 32.18 1uul h MET 78 CO 0.25 0.06 0.32 -0.51 0.23 0.00 0.00 176.91 177.26 1uul s ASP 79 N -6.82 4.46 0.80 1.39 1.01 -1.26 -4.17 116.67 112.07 1uul s ASP 79 Ca -0.05 1.87 -0.11 0.00 0.71 0.00 0.00 52.55 54.97 1uul s ASP 79 Cb 0.16 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.63 1uul s ASP 79 CO 0.65 -2.07 1.10 -0.94 0.21 0.00 0.00 175.17 174.12 1uul s SER 80 N -3.24 4.47 0.24 0.27 1.04 -1.26 -4.21 113.70 111.01 1uul s SER 80 Ca 0.62 1.32 -0.05 0.00 0.48 0.00 0.00 55.95 58.32 1uul s SER 80 Cb -0.18 -2.05 0.38 0.00 0.10 0.00 0.00 66.02 64.27 1uul s SER 80 CO 0.54 -1.99 1.82 -0.33 0.98 0.00 0.00 173.24 174.26 1uul h GLU 81 N -1.10 0.79 -0.60 4.02 3.07 -1.93 -1.05 114.58 117.79 1uul h GLU 81 Ca -0.47 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 1uul h GLU 81 Cb 1.27 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 1uul h GLU 81 CO 0.59 0.52 0.34 1.88 -1.40 0.00 0.00 179.01 180.94 1uul h TYR 82 N 0.81 0.80 -0.34 4.33 -1.99 -1.99 0.15 116.97 118.75 1uul h TYR 82 Ca 0.39 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.10 1uul h TYR 82 Cb 0.32 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 1uul h TYR 82 CO -0.06 0.57 0.21 1.03 -0.00 0.00 0.00 178.16 179.91 1uul h SER 83 N 0.81 0.40 0.07 3.88 0.87 -1.78 0.56 113.55 118.35 1uul h SER 83 Ca 0.21 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1uul h SER 83 Cb 0.02 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.83 1uul h SER 83 CO -0.04 0.33 -0.34 0.45 -0.53 0.00 0.00 176.83 176.70 1uul h HIS 84 N 0.44 -0.95 -0.36 2.24 3.86 -0.50 -0.94 115.15 118.93 1uul h HIS 84 Ca 0.12 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.43 1uul h HIS 84 Cb -0.00 0.41 -0.07 0.00 1.06 0.00 0.00 27.41 28.81 1uul h HIS 84 CO -0.04 -0.44 -0.10 1.25 0.86 0.00 0.00 177.93 179.46 1uul h LEU 85 N -0.54 -0.35 -0.45 2.43 5.85 -0.43 -0.12 115.31 121.70 1uul h LEU 85 Ca 0.04 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1uul h LEU 85 Cb 0.60 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1uul h LEU 85 CO -0.24 -0.13 0.02 0.00 -0.34 0.00 0.00 178.44 177.75 1uul h ALA 86 N 1.35 0.43 -0.24 1.25 0.00 -0.45 0.13 119.26 121.72 1uul h ALA 86 Ca 0.17 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1uul h ALA 86 Cb 0.27 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1uul h ALA 86 CO -0.38 -0.38 0.08 2.35 0.00 0.00 0.00 179.25 180.92 1uul h TRP 87 N 0.13 0.33 0.00 0.00 7.01 0.13 -0.24 115.95 123.31 1uul h TRP 87 Ca 0.22 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1uul h TRP 87 Cb 0.32 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1uul h TRP 87 CO -0.28 0.28 -0.12 0.00 -2.79 0.00 0.00 178.44 175.54 1uul h THR 88 N 0.34 0.29 0.00 2.65 1.03 0.97 -2.39 112.91 115.80 1uul h THR 88 Ca 0.08 -0.86 0.00 0.00 -0.01 0.00 0.00 66.41 65.63 1uul h THR 88 Cb 0.10 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 68.86 1uul h THR 88 CO -0.01 0.11 -0.22 -1.20 -0.01 0.00 0.00 175.52 174.19 1uul n SER 89 N -3.25 0.33 -4.91 0.00 7.64 -0.11 -2.84 113.62 110.49 1uul n SER 89 Ca 0.01 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.80 1uul n SER 89 Cb 0.38 -0.23 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 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 -3.03 5.38 0.52 0.44 -5.25 -1.04 -4.94 121.20 113.27 1uul s ILE 90 Ca 0.12 -0.28 -0.21 0.00 -0.99 0.00 0.00 60.65 59.28 1uul s ILE 90 Cb 0.17 -3.61 -0.06 0.00 2.95 0.00 0.00 42.46 41.92 1uul s ILE 90 CO 0.61 0.18 1.21 -1.61 -1.79 0.00 0.00 174.94 173.55 1uul s GLU 91 N -2.37 3.40 0.23 0.37 2.02 -1.26 -2.44 118.70 118.64 1uul s GLU 91 Ca 0.34 1.87 -0.07 0.00 0.02 0.00 0.00 54.97 57.13 1uul s GLU 91 Cb -0.13 -2.22 0.35 0.00 0.10 0.00 0.00 34.13 32.23 1uul s GLU 91 CO 0.25 -0.88 1.75 0.00 0.02 0.00 0.00 175.26 176.41 1uul h ARG 92 N 1.56 0.47 0.00 1.61 3.08 -1.84 0.19 114.38 119.45 1uul h ARG 92 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1uul h ARG 92 Cb 1.27 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1uul h ARG 92 CO 0.58 0.31 0.00 0.36 -1.07 0.00 0.00 179.97 180.15 1uul n LYS 93 N -4.96 0.01 -0.22 0.04 2.85 -1.26 -0.47 118.16 114.15 1uul n LYS 93 Ca 0.11 0.41 0.09 0.00 -1.05 0.00 0.00 58.31 57.88 1uul n LYS 93 Cb 0.32 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.38 1uul n LYS 93 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1uul n ARG 94 N -1.44 1.83 -0.53 -1.58 1.74 -0.12 -4.94 116.66 111.63 1uul n ARG 94 Ca 0.01 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.39 1uul n ARG 94 Cb 0.02 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 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 -1.13 0.74 3.43 -0.13 0.00 0.38 -4.93 105.19 103.55 1uul n GLY 95 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.98 0.10 -0.02 0.00 0.48 -4.86 105.19 97.53 1uul n GLY 96 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1uul n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uul n LEU 97 N 0.00 0.34 0.00 0.99 4.32 -0.93 -3.95 117.00 117.77 1uul n LEU 97 Ca 0.15 -0.01 0.04 0.00 -0.02 0.00 0.00 56.01 56.16 1uul n LEU 97 Cb 0.52 0.34 -0.01 0.00 -1.62 0.00 0.00 43.42 42.65 1uul n LEU 97 CO 0.37 0.55 -0.05 0.61 -1.22 0.00 0.00 177.39 177.65 1uul n GLY 98 N 1.81 -1.46 3.68 -0.72 0.00 -1.02 -4.70 105.19 102.78 1uul n GLY 98 Ca -0.34 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1uul n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uul n GLN 99 N -1.95 1.98 -4.24 1.61 6.02 -1.26 -4.70 117.38 114.83 1uul n GLN 99 Ca 0.00 0.69 -0.28 0.00 -0.01 0.00 0.00 57.00 57.40 1uul n GLN 99 Cb 0.13 -2.26 -0.09 0.00 1.02 0.00 0.00 30.24 29.04 1uul n GLN 99 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1uul s MET 100 N -1.87 2.15 -0.00 -1.09 -1.94 -1.26 -5.01 119.30 110.27 1uul s MET 100 Ca 0.57 -1.11 0.11 0.00 -1.71 0.00 0.00 55.69 53.54 1uul s MET 100 Cb -0.58 -2.27 0.31 0.00 2.01 0.00 0.00 34.83 34.30 1uul s MET 100 CO 0.61 0.48 1.26 0.09 -0.01 0.00 0.00 175.02 177.45 1uul n ASN 101 N 0.37 2.95 -4.01 3.03 5.03 -1.26 -4.51 115.26 116.86 1uul n ASN 101 Ca -0.12 -2.03 -0.19 0.00 0.87 0.00 0.00 54.58 53.12 1uul n ASN 101 Cb 0.54 -0.24 -0.15 0.00 -1.02 0.00 0.00 39.78 38.91 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 -1.05 0.71 0.62 2.41 1.10 -1.26 -4.89 121.20 118.85 1uul s ILE 102 Ca 0.24 -0.37 -0.15 0.00 -0.51 0.00 0.00 60.65 59.86 1uul s ILE 102 Cb 0.13 -0.61 -0.02 0.00 0.15 0.00 0.00 42.46 42.10 1uul s ILE 102 CO 0.16 0.21 1.07 -2.84 -2.11 0.00 0.00 174.94 171.43 1uul s PRO 103 N -0.10 3.14 -0.21 3.50 0.02 -1.26 -4.35 135.00 135.74 1uul s PRO 103 Ca 0.02 1.26 -0.01 0.00 0.02 0.00 0.00 61.00 62.28 1uul s PRO 103 Cb -0.05 -2.00 0.06 0.00 0.02 0.00 0.00 34.50 32.53 1uul s PRO 103 CO -0.00 -0.96 -0.02 0.42 -0.33 0.00 0.00 177.00 176.11 1uul s ILE 104 N -2.44 1.04 0.55 2.83 1.01 -0.57 -2.51 121.20 121.11 1uul s ILE 104 Ca 0.64 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 1uul s ILE 104 Cb -0.17 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1uul s ILE 104 CO 0.39 -0.11 1.18 -0.76 0.00 0.00 0.00 174.94 175.64 1uul s LEU 105 N 1.63 3.75 -0.61 2.97 1.43 -0.11 -0.93 118.68 126.81 1uul s LEU 105 Ca -0.03 2.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.42 1uul s LEU 105 Cb -0.18 -4.53 0.15 0.00 0.03 0.00 0.00 46.19 41.67 1uul s LEU 105 CO -0.07 -1.37 0.39 0.00 0.23 0.00 0.00 176.35 175.53 1uul s ALA 106 N -1.63 3.55 -0.97 4.21 0.00 -0.51 -2.66 121.76 123.76 1uul s ALA 106 Ca 0.74 -3.44 -0.16 0.00 0.00 0.00 0.00 51.96 49.10 1uul s ALA 106 Cb -0.28 -2.34 0.17 0.00 0.00 0.00 0.00 23.12 20.67 1uul s ALA 106 CO 0.32 -2.07 1.08 0.16 0.00 0.00 0.00 175.76 175.25 1uul s ASP 107 N -0.28 6.80 0.47 0.00 -4.77 -0.12 -4.62 116.67 114.14 1uul s ASP 107 Ca 0.19 -2.50 0.20 0.00 -3.30 0.00 0.00 52.55 47.14 1uul s ASP 107 Cb -0.19 -2.33 1.15 0.00 -1.09 0.00 0.00 42.92 40.46 1uul s ASP 107 CO -0.05 -0.82 2.00 0.11 0.70 0.00 0.00 175.17 177.12 1uul h LYS 108 N 8.10 0.00 0.00 2.11 1.57 -1.82 -0.65 116.57 125.88 1uul h LYS 108 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1uul h LYS 108 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1uul h LYS 108 CO 1.03 0.18 -0.33 1.79 -0.57 0.00 0.00 179.45 181.55 1uul h THR 109 N 0.00 0.00 -0.01 -0.16 1.35 -1.90 -3.47 112.91 108.71 1uul h THR 109 Ca -0.00 -0.98 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 1uul h THR 109 Cb 0.37 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1uul h THR 109 CO 0.02 0.00 -0.01 0.29 -0.25 0.00 0.00 175.52 175.58 1uul n LYS 110 N -2.94 -0.98 -0.23 4.72 5.02 -0.25 -4.91 118.16 118.60 1uul n LYS 110 Ca 0.03 0.26 -0.06 0.00 -2.02 0.00 0.00 58.31 56.53 1uul n LYS 110 Cb 0.53 -4.01 0.09 0.00 -0.02 0.00 0.00 35.03 31.63 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 1.03 1.09 -0.99 0.00 2.04 -1.91 -0.13 117.51 118.63 1uul h ILE 112 Ca 0.22 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.50 1uul h ILE 112 Cb 0.31 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 1uul h ILE 112 CO -0.00 0.16 0.63 0.24 0.00 0.00 0.00 178.15 179.18 1uul h MET 113 N -0.43 1.04 -0.24 2.37 2.86 -1.93 -0.82 114.93 117.79 1uul h MET 113 Ca -0.01 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1uul h MET 113 Cb 0.36 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1uul h MET 113 CO 0.02 0.69 0.11 0.87 1.06 0.00 0.00 176.91 179.66 1uul h LYS 114 N 1.07 0.23 -0.72 1.72 1.57 -1.06 -1.37 116.57 118.02 1uul h LYS 114 Ca 0.46 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.35 1uul h LYS 114 Cb 0.33 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.50 1uul h LYS 114 CO -0.21 0.16 0.27 0.77 -0.57 0.00 0.00 179.45 179.87 1uul h SER 115 N 0.24 0.25 -0.16 0.86 0.02 0.35 -1.22 113.55 113.90 1uul h SER 115 Ca 0.10 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1uul h SER 115 Cb 0.04 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1uul h SER 115 CO -0.08 0.11 0.00 -1.22 -1.14 0.00 0.00 176.83 174.50 1uul n TYR 116 N -5.01 0.20 -2.43 3.45 4.02 -0.65 -2.97 117.16 113.77 1uul n TYR 116 Ca 0.13 -0.10 -0.13 0.00 -0.01 0.00 0.00 57.90 57.79 1uul n TYR 116 Cb 0.38 0.00 0.01 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 1.09 -0.10 0.24 2.72 0.00 -0.46 -4.76 105.19 103.93 1uul n GLY 117 Ca 0.16 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.01 1.83 -2.80 1.61 0.24 -0.77 -4.73 118.33 109.71 1uul n VAL 118 Ca -0.11 -2.36 -0.41 0.00 -2.04 0.00 0.00 64.34 59.42 1uul n VAL 118 Cb 0.60 -0.18 -0.04 0.00 -1.47 0.00 0.00 33.84 32.75 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 -2.76 4.45 -0.55 1.34 0.20 -1.25 -0.85 118.68 119.26 1uul s LEU 119 Ca 0.32 1.65 -0.16 0.00 0.69 0.00 0.00 54.13 56.62 1uul s LEU 119 Cb 0.29 -3.47 0.13 0.00 -0.43 0.00 0.00 46.19 42.70 1uul s LEU 119 CO 0.00 -0.10 0.52 -1.59 -0.29 0.00 0.00 176.35 174.90 1uul s LYS 120 N 0.28 3.01 0.44 1.98 -2.85 0.12 -4.90 119.74 117.82 1uul s LYS 120 Ca 0.46 -1.69 0.24 0.00 -1.00 0.00 0.00 55.97 53.97 1uul s LYS 120 Cb -0.22 -4.30 1.24 0.00 -2.06 0.00 0.00 37.83 32.49 1uul s LYS 120 CO 0.27 -1.35 1.77 0.93 0.10 0.00 0.00 175.35 177.07 1uul h GLU 121 N 8.89 0.27 0.00 1.78 4.39 -1.95 0.48 114.58 128.43 1uul h GLU 121 Ca -0.29 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.33 1uul h GLU 121 Cb 1.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1uul h GLU 121 CO 1.04 0.18 -0.32 1.05 -1.16 0.00 0.00 179.01 179.79 1uul h GLU 122 N 0.27 0.00 0.00 2.33 4.11 -1.96 -3.32 114.58 116.02 1uul h GLU 122 Ca 0.60 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 60.02 1uul h GLU 122 Cb 1.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 1uul h GLU 122 CO -0.23 0.32 -1.35 -0.25 0.07 0.00 0.00 179.01 177.56 1uul n ASP 123 N -3.63 3.27 0.00 3.06 8.00 -0.01 -5.01 116.55 122.23 1uul n ASP 123 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1uul n ASP 123 Cb 0.44 1.31 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 1uul n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uul n GLY 124 N 2.10 0.70 3.51 0.44 0.00 -0.25 -5.04 105.19 106.64 1uul n GLY 124 Ca -0.02 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1uul n GLY 124 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uul s VAL 125 N -2.00 1.57 0.06 1.61 -7.23 -1.24 -4.88 120.40 108.29 1uul s VAL 125 Ca 0.00 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.03 1uul s VAL 125 Cb 0.00 -2.82 -0.06 0.00 0.56 0.00 0.00 36.38 34.06 1uul s VAL 125 CO 0.00 -0.04 0.41 0.00 -0.31 0.00 0.00 175.10 175.16 1uul s ALA 126 N -3.03 3.71 0.89 1.32 0.00 -1.26 0.14 121.76 123.53 1uul s ALA 126 Ca 0.35 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1uul s ALA 126 Cb 0.08 -2.32 0.13 0.00 0.00 0.00 0.00 23.12 21.01 1uul s ALA 126 CO 0.16 0.53 1.14 0.71 0.00 0.00 0.00 175.76 178.30 1uul s TYR 127 N -1.30 2.59 -1.11 0.00 1.51 -0.03 -2.82 117.35 116.18 1uul s TYR 127 Ca 0.30 0.88 -0.18 0.00 -1.01 0.00 0.00 57.07 57.06 1uul s TYR 127 Cb -0.15 -3.37 -0.06 0.00 -0.11 0.00 0.00 41.96 38.27 1uul s TYR 127 CO 0.17 -2.25 2.08 0.54 -1.11 0.00 0.00 175.55 174.98 1uul n ARG 128 N -3.69 2.17 -3.14 -0.62 1.74 -0.91 -4.36 116.66 107.84 1uul n ARG 128 Ca 0.07 -2.21 -0.39 0.00 -0.77 0.00 0.00 57.85 54.54 1uul n ARG 128 Cb 0.59 -3.10 -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 4.11 2.77 -0.03 -0.13 0.00 -1.25 -1.34 107.32 111.45 1uul s GLY 129 Ca 0.52 0.17 0.01 0.00 0.00 0.00 0.00 44.72 45.43 1uul s GLY 129 CO 0.02 0.66 -0.04 -2.27 0.00 0.00 0.00 173.10 171.47 1uul s LEU 130 N -1.02 1.52 0.01 0.66 0.20 0.18 -0.21 118.68 120.02 1uul s LEU 130 Ca 0.32 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 55.08 1uul s LEU 130 Cb -0.21 -0.34 -0.01 0.00 -0.43 0.00 0.00 46.19 45.20 1uul s LEU 130 CO 0.22 -0.02 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.78 1uul s PHE 131 N 0.59 0.97 -0.31 5.38 0.40 0.25 -0.83 117.98 124.43 1uul s PHE 131 Ca -0.07 -0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1uul s PHE 131 Cb -0.10 -0.61 0.02 0.00 0.51 0.00 0.00 43.02 42.83 1uul s PHE 131 CO -0.00 -0.01 0.10 0.42 0.70 0.00 0.00 175.22 176.42 1uul s ILE 132 N -0.46 3.96 -0.12 0.64 1.01 -0.76 -1.19 121.20 124.28 1uul s ILE 132 Ca 0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1uul s ILE 132 Cb -0.05 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1uul s ILE 132 CO 0.00 -0.01 0.01 -0.63 0.00 0.00 0.00 174.94 174.30 1uul s ILE 133 N 1.48 4.32 0.57 2.92 1.01 0.12 -0.82 121.20 130.80 1uul s ILE 133 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1uul s ILE 133 Cb -0.18 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.47 1uul s ILE 133 CO 0.03 0.56 0.82 1.51 0.00 0.00 0.00 174.94 177.85 1uul s ASP 134 N -0.38 5.26 0.58 3.58 1.47 -0.58 -0.57 116.67 126.02 1uul s ASP 134 Ca 0.07 0.17 0.31 0.00 1.18 0.00 0.00 52.55 54.29 1uul s ASP 134 Cb -0.12 -1.05 1.41 0.00 -0.34 0.00 0.00 42.92 42.82 1uul s ASP 134 CO 0.02 -1.18 1.76 -0.65 0.68 0.00 0.00 175.17 175.80 1uul h PRO 135 N -0.05 0.00 -0.29 2.11 0.11 -1.78 0.90 132.00 133.00 1uul h PRO 135 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1uul h PRO 135 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1uul h PRO 135 CO 0.55 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.97 1uul n LYS 136 N -3.80 1.90 -2.27 1.05 5.02 -1.26 -1.77 118.16 117.02 1uul n LYS 136 Ca 0.17 -1.37 -0.08 0.00 -2.02 0.00 0.00 58.31 55.01 1uul n LYS 136 Cb 1.04 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 1uul n LYS 136 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1uul n GLN 137 N 0.60 -1.03 -4.19 1.97 6.02 0.31 -4.98 117.38 116.08 1uul n GLN 137 Ca 0.15 0.39 -0.33 0.00 -0.01 0.00 0.00 57.00 57.20 1uul n GLN 137 Cb 0.36 -4.27 -0.08 0.00 1.02 0.00 0.00 30.24 27.27 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 -2.71 5.48 0.09 1.08 0.01 -1.25 -0.76 114.94 116.89 1uul s ASN 138 Ca 0.04 0.13 -0.31 0.00 -0.71 0.00 0.00 52.86 52.00 1uul s ASN 138 Cb -0.02 -1.55 -0.08 0.00 0.41 0.00 0.00 41.25 40.02 1uul s ASN 138 CO 0.04 0.30 1.43 -0.22 -1.51 0.00 0.00 177.10 177.15 1uul s LEU 139 N -1.47 4.36 0.00 0.60 2.96 -0.47 -1.53 118.68 123.13 1uul s LEU 139 Ca 0.19 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 1uul s LEU 139 Cb -0.12 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1uul s LEU 139 CO 0.10 -0.70 0.11 0.54 -1.32 0.00 0.00 176.35 175.08 1uul n ARG 140 N 4.40 2.34 -3.67 1.98 1.74 0.00 -0.39 116.66 123.06 1uul n ARG 140 Ca 0.12 -0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 57.00 1uul n ARG 140 Cb 0.42 -0.47 -0.09 0.00 -1.02 0.00 0.00 32.46 31.30 1uul n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1uul s GLN 141 N -0.36 0.59 -0.05 5.56 -0.44 -1.21 -4.96 119.66 118.78 1uul s GLN 141 Ca 0.00 0.95 0.06 0.00 -2.50 0.00 0.00 55.36 53.88 1uul s GLN 141 Cb 0.00 0.13 -0.01 0.00 -1.64 0.00 0.00 33.01 31.49 1uul s GLN 141 CO 0.00 -0.13 -0.24 0.42 0.50 0.00 0.00 175.29 175.84 1uul s ILE 142 N 1.19 1.97 -0.07 -2.34 1.01 -1.26 -1.82 121.20 119.88 1uul s ILE 142 Ca -0.07 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 1uul s ILE 142 Cb -0.06 -1.67 0.04 0.00 0.01 0.00 0.00 42.46 40.79 1uul s ILE 142 CO -0.12 0.55 0.12 -0.89 0.00 0.00 0.00 174.94 174.61 1uul s THR 143 N -0.18 -0.18 -0.14 2.92 2.01 -0.01 -5.00 115.64 115.05 1uul s THR 143 Ca -0.02 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 1uul s THR 143 Cb -0.13 -0.23 0.04 0.00 0.01 0.00 0.00 72.50 72.18 1uul s THR 143 CO 0.03 0.14 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.39 1uul s VAL 144 N 2.03 0.81 -0.04 3.82 1.01 -1.26 0.52 120.40 127.29 1uul s VAL 144 Ca 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1uul s VAL 144 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1uul s VAL 144 CO -0.05 0.12 0.16 0.20 0.00 0.00 0.00 175.10 175.53 1uul s ASN 145 N 1.77 6.34 0.82 3.32 0.02 -0.45 -4.95 114.94 121.81 1uul s ASN 145 Ca 0.02 0.38 -0.12 0.00 -1.02 0.00 0.00 52.86 52.12 1uul s ASN 145 Cb -0.15 -2.01 0.09 0.00 0.02 0.00 0.00 41.25 39.21 1uul s ASN 145 CO -0.07 0.31 1.16 -0.62 0.02 0.00 0.00 177.10 177.90 1uul s ASP 146 N -1.64 3.66 0.28 -1.22 2.15 -1.26 -2.15 116.67 116.49 1uul s ASP 146 Ca 0.23 2.20 0.02 0.00 0.43 0.00 0.00 52.55 55.43 1uul s ASP 146 Cb -0.12 -2.57 0.62 0.00 -0.30 0.00 0.00 42.92 40.54 1uul s ASP 146 CO 0.14 -2.61 1.76 -0.07 -0.17 0.00 0.00 175.17 174.22 1uul h LEU 147 N -1.14 0.61 -2.06 -1.34 3.38 -1.97 -2.95 115.31 109.84 1uul h LEU 147 Ca -0.45 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1uul h LEU 147 Cb 1.27 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1uul h LEU 147 CO 0.46 0.23 -0.02 -0.65 0.09 0.00 0.00 178.44 178.56 1uul h PRO 148 N 0.67 0.00 -5.31 1.13 0.11 -2.04 -3.43 132.00 123.12 1uul h PRO 148 Ca 0.51 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.97 1uul h PRO 148 Cb 0.76 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.61 1uul h PRO 148 CO -0.38 0.02 -0.75 0.08 -0.21 0.00 0.00 178.00 176.76 1uul s VAL 149 N -3.90 3.19 0.67 3.15 1.01 -1.12 -5.00 120.40 118.41 1uul s VAL 149 Ca -0.02 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1uul s VAL 149 Cb 0.11 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1uul s VAL 149 CO 0.50 0.52 1.03 -0.83 0.00 0.00 0.00 175.10 176.32 1uul s GLY 150 N 0.36 1.62 0.72 4.51 0.00 -1.26 -4.73 107.32 108.54 1uul s GLY 150 Ca -0.10 -0.53 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 1uul s GLY 150 CO 0.05 -0.18 1.00 0.50 0.00 0.00 0.00 173.10 174.47 1uul s ARG 151 N -5.24 1.71 -0.22 2.90 0.52 -1.26 -5.08 118.95 112.27 1uul s ARG 151 Ca 0.57 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1uul s ARG 151 Cb -0.11 -2.29 0.03 0.00 0.52 0.00 0.00 34.95 33.10 1uul s ARG 151 CO 0.49 -1.44 -0.13 0.34 0.02 0.00 0.00 175.30 174.57 1uul s ASP 152 N -4.70 3.83 0.26 0.23 2.15 -1.26 -5.00 116.67 112.17 1uul s ASP 152 Ca 0.66 -0.85 -0.04 0.00 0.43 0.00 0.00 52.55 52.75 1uul s ASP 152 Cb -0.06 -1.57 0.30 0.00 -0.30 0.00 0.00 42.92 41.30 1uul s ASP 152 CO 0.44 -0.08 1.86 0.58 -0.17 0.00 0.00 175.17 177.81 1uul h VAL 153 N 6.15 1.24 -0.28 1.11 2.07 -1.98 -2.15 116.25 122.41 1uul h VAL 153 Ca -0.36 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1uul h VAL 153 Cb 1.11 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1uul h VAL 153 CO 0.58 0.28 0.06 0.44 0.02 0.00 0.00 177.57 178.95 1uul h ASP 154 N 1.09 0.36 0.18 0.57 3.32 -1.99 -1.67 116.42 118.29 1uul h ASP 154 Ca 0.27 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 1uul h ASP 154 Cb 0.10 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1uul h ASP 154 CO -0.04 0.38 -0.56 -0.08 -1.72 0.00 0.00 179.24 177.22 1uul h GLU 155 N 0.39 0.40 -0.50 3.56 4.57 -1.82 0.14 114.58 121.32 1uul h GLU 155 Ca 0.09 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 1uul h GLU 155 Cb 0.18 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1uul h GLU 155 CO -0.00 0.85 0.09 0.00 -1.18 0.00 0.00 179.01 178.77 1uul h ALA 156 N 1.09 0.66 -0.34 2.92 0.00 -1.10 -0.92 119.26 121.57 1uul h ALA 156 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1uul h ALA 156 Cb 1.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1uul h ALA 156 CO 0.10 0.38 0.19 1.25 0.00 0.00 0.00 179.25 181.17 1uul h LEU 157 N 0.69 0.42 -0.48 0.00 6.46 -0.86 -0.08 115.31 121.45 1uul h LEU 157 Ca 0.15 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1uul h LEU 157 Cb 0.38 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 1uul h LEU 157 CO 0.01 0.37 0.25 -0.09 -0.62 0.00 0.00 178.44 178.36 1uul h ARG 158 N 0.43 0.48 -0.36 1.25 2.43 -0.56 -1.55 114.38 116.49 1uul h ARG 158 Ca 0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1uul h ARG 158 Cb 0.04 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1uul h ARG 158 CO -0.02 0.31 0.18 -0.07 -1.51 0.00 0.00 179.97 178.87 1uul h LEU 159 N 0.49 0.47 -0.09 3.80 3.38 -0.37 -0.35 115.31 122.65 1uul h LEU 159 Ca 0.21 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1uul h LEU 159 Cb 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1uul h LEU 159 CO -0.14 0.45 -0.05 0.58 0.09 0.00 0.00 178.44 179.36 1uul h VAL 160 N 0.45 0.83 -1.01 1.22 2.07 -0.81 -0.74 116.25 118.26 1uul h VAL 160 Ca 0.12 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1uul h VAL 160 Cb 0.10 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 1uul h VAL 160 CO -0.02 0.00 0.66 0.11 0.02 0.00 0.00 177.57 178.34 1uul h LYS 161 N -0.06 1.22 -0.42 1.57 1.57 -1.07 0.24 116.57 119.62 1uul h LYS 161 Ca 0.05 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1uul h LYS 161 Cb 0.13 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1uul h LYS 161 CO -0.12 0.81 0.14 0.00 -0.57 0.00 0.00 179.45 179.71 1uul h ALA 162 N 1.42 0.56 -0.31 3.86 0.00 -0.27 0.13 119.26 124.64 1uul h ALA 162 Ca 0.41 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1uul h ALA 162 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1uul h ALA 162 CO -0.13 0.19 -0.11 0.74 0.00 0.00 0.00 179.25 179.94 1uul h PHE 163 N 0.54 0.55 -0.19 0.00 -1.00 -0.49 -0.02 116.94 116.33 1uul h PHE 163 Ca 0.14 -0.08 -0.10 0.00 2.81 0.00 0.00 57.97 60.73 1uul h PHE 163 Cb 0.25 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1uul h PHE 163 CO 0.01 0.61 -0.32 1.96 -1.61 0.00 0.00 178.31 178.96 1uul h GLN 164 N 0.48 0.40 -0.33 1.51 4.20 -0.34 -1.60 115.11 119.43 1uul h GLN 164 Ca 0.09 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.46 1uul h GLN 164 Cb 0.48 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1uul h GLN 164 CO 0.03 0.68 -0.47 0.35 -0.67 0.00 0.00 178.83 178.75 1uul h PHE 165 N 0.34 1.11 -0.42 2.96 3.04 0.25 -2.87 116.94 121.35 1uul h PHE 165 Ca 0.04 -0.37 -0.13 0.00 3.98 0.00 0.00 57.97 61.49 1uul h PHE 165 Cb 0.74 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1uul h PHE 165 CO 0.02 1.20 -0.26 0.28 -2.02 0.00 0.00 178.31 177.53 1uul h VAL 166 N 0.71 1.28 0.00 1.41 2.07 -0.85 -2.43 116.25 118.44 1uul h VAL 166 Ca 0.04 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1uul h VAL 166 Cb 1.07 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1uul h VAL 166 CO 0.11 0.48 0.00 -0.62 0.02 0.00 0.00 177.57 177.56 1uul n GLU 167 N -4.15 0.06 -0.03 1.57 1.02 -0.62 -2.31 120.64 116.18 1uul n GLU 167 Ca -0.01 0.21 0.02 0.00 -0.02 0.00 0.00 57.16 57.36 1uul n GLU 167 Cb 0.47 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.44 0.96 0.00 3.49 4.81 -1.03 -4.73 118.16 120.22 1uul n LYS 168 Ca 0.05 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1uul n LYS 168 Cb 0.16 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 33.88 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 -2.16 0.00 -0.72 5.64 8.25 -0.94 -4.99 115.22 120.30 1uul n HIS 169 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1uul n HIS 169 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 0.66 0.72 3.92 -1.41 0.00 -0.98 -4.98 105.19 103.13 1uul n GLY 170 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.36 3.57 0.01 1.61 2.02 -1.26 -4.58 118.70 119.71 1uul s GLU 171 Ca 0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 1uul s GLU 171 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1uul s GLU 171 CO 0.00 0.06 0.19 0.08 0.02 0.00 0.00 175.26 175.62 1uul s VAL 172 N -2.35 5.41 -0.33 2.63 1.01 0.11 -4.44 120.40 122.43 1uul s VAL 172 Ca 0.44 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 1uul s VAL 172 Cb -0.10 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1uul s VAL 172 CO 0.36 0.26 0.29 0.00 0.00 0.00 0.00 175.10 176.01 1uul n PRO 174 N 5.21 -3.96 -2.23 0.00 -0.02 -1.26 -4.89 135.00 127.85 1uul n PRO 174 Ca -0.11 -1.26 -0.40 0.00 -2.02 0.00 0.00 63.50 59.71 1uul n PRO 174 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 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 -2.33 3.41 0.00 3.55 0.00 -1.26 -2.90 121.76 122.23 1uul s ALA 175 Ca 0.56 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1uul s ALA 175 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1uul s ALA 175 CO 0.46 -0.51 0.00 0.09 0.00 0.00 0.00 175.76 175.79 1uul n ASN 176 N 0.75 -4.48 -4.52 0.00 3.02 -1.26 -4.93 115.26 103.84 1uul n ASN 176 Ca 0.01 0.00 -0.56 0.00 -0.03 0.00 0.00 54.58 53.99 1uul n ASN 176 Cb 0.43 -2.24 -0.07 0.00 -0.61 0.00 0.00 39.78 37.29 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 -2.38 0.82 -4.22 3.10 -0.00 -1.14 -4.99 117.44 108.63 1uul n TRP 177 Ca 0.00 0.94 -0.18 0.00 -0.00 0.00 0.00 57.50 58.26 1uul n TRP 177 Cb 0.28 -2.15 -0.11 0.00 -0.00 0.00 0.00 31.31 29.33 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 0.05 0.96 0.09 5.87 1.02 -1.26 -5.01 119.74 121.46 1uul s LYS 178 Ca 0.87 -1.17 -0.36 0.00 0.02 0.00 0.00 55.97 55.34 1uul s LYS 178 Cb -1.16 -0.85 -0.16 0.00 -0.52 0.00 0.00 37.83 35.14 1uul s LYS 178 CO 0.54 0.17 1.40 -2.30 -0.92 0.00 0.00 175.35 174.24 1uul n PRO 179 N 0.71 1.35 0.00 -1.68 -0.02 -1.26 -1.31 135.00 132.80 1uul n PRO 179 Ca -0.17 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1uul n PRO 179 Cb 0.56 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 2.74 1.84 3.82 -1.23 0.00 -1.26 -5.07 105.19 106.04 1uul n GLY 180 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.55 5.26 -0.10 1.61 1.01 -0.42 -4.98 116.67 117.49 1uul s ASP 181 Ca 0.00 1.49 -0.30 0.00 0.71 0.00 0.00 52.55 54.46 1uul s ASP 181 Cb 0.00 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1uul s ASP 181 CO 0.00 -1.51 1.34 -0.54 0.21 0.00 0.00 175.17 174.67 1uul s LYS 182 N -5.10 4.25 0.49 8.23 1.02 -1.26 -4.96 119.74 122.41 1uul s LYS 182 Ca 0.58 1.80 0.08 0.00 0.02 0.00 0.00 55.97 58.45 1uul s LYS 182 Cb -0.14 -3.73 0.02 0.00 -0.52 0.00 0.00 37.83 33.47 1uul s LYS 182 CO 0.55 -0.66 0.50 0.95 -0.92 0.00 0.00 175.35 175.77 1uul s THR 183 N 3.17 2.28 0.26 2.17 -4.23 -1.26 -4.66 115.64 113.38 1uul s THR 183 Ca 0.59 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1uul s THR 183 Cb -0.26 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1uul s THR 183 CO 0.20 0.00 0.16 0.00 -0.54 0.00 0.00 174.62 174.44 1uul s MET 184 N -4.32 1.43 -0.12 3.99 0.00 -1.05 -4.94 119.30 114.28 1uul s MET 184 Ca 0.48 -1.79 -0.06 0.00 0.00 0.00 0.00 55.69 54.32 1uul s MET 184 Cb -0.04 0.13 -0.04 0.00 0.00 0.00 0.00 34.83 34.88 1uul s MET 184 CO 0.29 -0.45 0.11 0.15 0.00 0.00 0.00 175.02 175.12 1uul s LYS 185 N -3.92 3.44 0.00 3.16 1.02 -1.26 0.05 119.74 122.23 1uul s LYS 185 Ca 0.38 -0.21 -0.01 0.00 0.02 0.00 0.00 55.97 56.15 1uul s LYS 185 Cb 0.06 -3.13 -0.06 0.00 -0.52 0.00 0.00 37.83 34.17 1uul s LYS 185 CO 0.17 0.69 1.39 -0.35 -0.92 0.00 0.00 175.35 176.33 1uul n PRO 186 N 2.24 0.67 -4.16 -1.68 -0.05 -1.26 -4.21 135.00 126.54 1uul n PRO 186 Ca -0.19 -0.23 -0.16 0.00 -0.05 0.00 0.00 63.50 62.87 1uul n PRO 186 Cb 0.54 -1.51 -0.14 0.00 -0.05 0.00 0.00 33.50 32.34 1uul n PRO 186 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1uul s ASP 187 N 2.29 0.62 0.08 3.54 -1.08 -1.26 -5.08 116.67 115.78 1uul s ASP 187 Ca 0.15 -0.10 -0.21 0.00 -0.52 0.00 0.00 52.55 51.87 1uul s ASP 187 Cb 0.07 -0.07 -0.08 0.00 -1.46 0.00 0.00 42.92 41.39 1uul s ASP 187 CO 0.00 0.06 1.35 -0.65 0.52 0.00 0.00 175.17 176.44 1uul h PRO 188 N 5.99 -0.33 0.00 4.34 0.11 -1.99 -2.14 132.00 137.98 1uul h PRO 188 Ca -0.28 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1uul h PRO 188 Cb 1.19 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1uul h PRO 188 CO 0.50 -0.22 0.00 0.39 -0.21 0.00 0.00 178.00 178.46 1uul n GLU 189 N -4.37 0.00 0.00 1.05 1.02 -1.26 -2.95 120.64 114.14 1uul n GLU 189 Ca -0.03 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1uul n GLU 189 Cb 0.23 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1uul n GLU 189 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uul n LYS 190 N -1.64 0.00 -0.00 3.49 5.02 -1.23 0.96 118.16 124.76 1uul n LYS 190 Ca 0.00 0.06 0.09 0.00 -2.02 0.00 0.00 58.31 56.45 1uul n LYS 190 Cb 0.00 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.18 1uul n LYS 190 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1uul n SER 191 N -0.89 0.95 0.28 4.39 3.41 -0.80 -4.37 113.62 116.58 1uul n SER 191 Ca 0.00 -0.97 0.14 0.00 -0.26 0.00 0.00 58.87 57.77 1uul n SER 191 Cb 0.21 1.00 0.83 0.00 -0.26 0.00 0.00 64.21 65.99 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 0.51 -0.96 116.57 122.24 1uul h LYS 192 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1uul h LYS 192 Cb 0.47 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1uul h LYS 192 CO 0.00 0.05 -0.23 1.49 -1.08 0.00 0.00 179.45 179.67 1uul h GLU 193 N 0.00 0.00 0.19 3.15 4.81 -1.76 -2.69 114.58 118.27 1uul h GLU 193 Ca -0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 1uul h GLU 193 Cb 0.12 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.52 1uul h GLU 193 CO 0.01 0.23 -1.41 -0.92 -0.73 0.00 0.00 179.01 176.19 1uul h TYR 194 N 0.00 0.72 0.00 0.92 3.20 -1.47 -3.27 116.97 117.08 1uul h TYR 194 Ca -0.00 -0.53 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1uul h TYR 194 Cb 0.74 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1uul h TYR 194 CO 0.00 1.44 0.00 1.19 -1.64 0.00 0.00 178.16 179.15 1uul n PHE 195 N -3.61 0.00 -1.97 -3.82 3.72 -1.11 -3.60 117.46 107.07 1uul n PHE 195 Ca -0.14 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 1uul n PHE 195 Cb 1.07 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 1uul n PHE 195 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uul n GLY 196 N 0.42 4.35 0.00 1.37 0.00 -1.03 -5.11 105.19 105.20 1uul n GLY 196 Ca 0.07 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32