#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxj n SER 0 N 0.00 0.00 -0.56 0.00 3.41 -1.26 -4.69 113.62 110.52 1sxj n SER 0 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1sxj n SER 0 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1sxj n SER 0 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1sxj n LEU 2 N 0.00 0.05 -3.35 1.04 7.94 -0.50 -4.93 117.00 117.25 1sxj n LEU 2 Ca 0.00 0.14 -0.16 0.00 -1.11 0.00 0.00 56.01 54.89 1sxj n LEU 2 Cb 0.00 -0.11 -0.07 0.00 0.53 0.00 0.00 43.42 43.77 1sxj n LEU 2 CO 0.00 -0.19 -0.14 -0.70 -1.11 0.00 0.00 177.39 175.25 1sxj s GLU 3 N 0.12 0.64 0.13 1.96 2.12 -1.25 -1.37 118.70 121.06 1sxj s GLU 3 Ca 0.12 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.67 1sxj s GLU 3 Cb -0.16 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.52 1sxj s GLU 3 CO 0.08 -1.19 0.23 0.00 -0.54 0.00 0.00 175.26 173.84 1sxj s ALA 4 N 1.48 3.89 -0.35 6.30 0.00 -0.60 -1.98 121.76 130.51 1sxj s ALA 4 Ca 0.17 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 1sxj s ALA 4 Cb -0.15 -1.70 0.12 0.00 0.00 0.00 0.00 23.12 21.39 1sxj s ALA 4 CO -0.04 0.60 0.16 0.21 0.00 0.00 0.00 175.76 176.69 1sxj s LYS 5 N -3.03 0.72 0.03 0.00 2.20 0.35 -0.26 119.74 119.76 1sxj s LYS 5 Ca 0.34 -1.26 -0.36 0.00 -0.36 0.00 0.00 55.97 54.33 1sxj s LYS 5 Cb -0.11 -1.78 -0.14 0.00 -1.51 0.00 0.00 37.83 34.28 1sxj s LYS 5 CO 0.27 -1.08 1.60 1.19 -0.36 0.00 0.00 175.35 176.97 1sxj n PHE 6 N 4.43 2.05 -0.13 4.03 3.72 0.26 -0.67 117.46 131.16 1sxj n PHE 6 Ca 0.03 0.35 -0.04 0.00 -0.05 0.00 0.00 57.45 57.73 1sxj n PHE 6 Cb 0.39 -2.50 0.03 0.00 -0.94 0.00 0.00 39.48 36.46 1sxj n PHE 6 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1sxj h GLU 7 N 6.45 0.04 -4.92 -1.08 4.81 -1.83 -3.38 114.58 114.67 1sxj h GLU 7 Ca -0.47 -0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.15 1sxj h GLU 7 Cb 1.29 -0.01 -0.34 0.00 0.63 0.00 0.00 28.75 30.32 1sxj h GLU 7 CO 0.88 0.03 -0.85 -1.21 -0.73 0.00 0.00 179.01 177.13 1sxj s GLU 8 N -6.20 2.46 0.09 1.92 2.02 -1.26 -4.93 118.70 112.80 1sxj s GLU 8 Ca -0.14 -0.66 -0.25 0.00 0.02 0.00 0.00 54.97 53.95 1sxj s GLU 8 Cb 0.15 -2.00 -0.13 0.00 0.10 0.00 0.00 34.13 32.25 1sxj s GLU 8 CO 0.71 0.01 1.70 0.00 0.02 0.00 0.00 175.26 177.70 1sxj h ALA 9 N 7.20 -0.19 -1.05 5.21 0.00 -1.75 -2.43 119.26 126.24 1sxj h ALA 9 Ca -0.29 -0.03 0.31 0.00 0.00 0.00 0.00 54.91 54.90 1sxj h ALA 9 Cb 1.19 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1sxj h ALA 9 CO 0.50 -0.62 0.92 0.77 0.00 0.00 0.00 179.25 180.81 1sxj h SER 10 N -0.21 0.00 0.41 0.00 0.02 -1.88 -2.58 113.55 109.31 1sxj h SER 10 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1sxj h SER 10 Cb 0.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1sxj h SER 10 CO -0.02 0.00 -0.24 0.25 -1.14 0.00 0.00 176.83 175.67 1sxj h LEU 11 N 0.00 -0.61 -1.93 5.07 5.85 -1.87 -0.86 115.31 120.96 1sxj h LEU 11 Ca 0.50 0.03 0.26 0.00 0.84 0.00 0.00 57.88 59.52 1sxj h LEU 11 Cb 2.33 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 43.49 1sxj h LEU 11 CO -0.01 -0.38 0.66 0.15 -0.34 0.00 0.00 178.44 178.53 1sxj h PHE 12 N -0.61 0.07 0.50 1.25 3.57 -1.61 0.15 116.94 120.26 1sxj h PHE 12 Ca -0.06 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1sxj h PHE 12 Cb 0.49 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1sxj h PHE 12 CO 0.02 0.01 -0.24 -0.22 -2.23 0.00 0.00 178.31 175.65 1sxj h LYS 13 N 0.05 -0.65 -0.91 1.11 3.64 -1.55 -1.90 116.57 116.36 1sxj h LYS 13 Ca 0.45 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 60.05 1sxj h LYS 13 Cb 1.71 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 33.60 1sxj h LYS 13 CO -0.03 -0.37 0.59 0.00 -2.27 0.00 0.00 179.45 177.37 1sxj h ARG 14 N -1.10 0.57 -0.49 1.90 3.08 0.33 0.52 114.38 119.20 1sxj h ARG 14 Ca -0.07 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1sxj h ARG 14 Cb 0.58 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1sxj h ARG 14 CO 0.11 0.38 0.07 0.82 -1.07 0.00 0.00 179.97 180.28 1sxj h ILE 15 N 0.59 1.23 0.02 2.04 1.08 -0.71 -1.74 117.51 120.02 1sxj h ILE 15 Ca 0.48 -0.87 -0.30 0.00 -0.39 0.00 0.00 64.86 63.78 1sxj h ILE 15 Cb 0.93 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 1sxj h ILE 15 CO -0.22 0.31 -1.71 -0.29 -0.69 0.00 0.00 178.15 175.55 1sxj h ILE 16 N 0.73 0.87 0.00 -0.67 2.10 0.02 -3.21 117.51 117.35 1sxj h ILE 16 Ca 0.15 -2.68 0.00 0.00 1.08 0.00 0.00 64.86 63.41 1sxj h ILE 16 Cb 0.35 2.47 0.00 0.00 -1.09 0.00 0.00 36.82 38.55 1sxj h ILE 16 CO 0.01 0.59 0.00 0.47 -1.08 0.00 0.00 178.15 178.13 1sxj n ASP 17 N -3.15 0.57 0.29 2.19 9.92 0.16 -1.41 116.55 125.12 1sxj n ASP 17 Ca -0.18 0.65 0.18 0.00 -0.53 0.00 0.00 54.79 54.91 1sxj n ASP 17 Cb 1.05 -0.77 0.81 0.00 -0.64 0.00 0.00 41.12 41.56 1sxj n ASP 17 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1sxj h GLY 18 N 2.07 0.00 -0.62 0.44 0.00 -1.31 -3.35 103.07 100.29 1sxj h GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sxj h GLY 18 CO 0.00 0.00 -0.11 1.97 0.00 0.00 0.00 176.54 178.40 1sxj n PHE 19 N -3.15 0.00 1.78 5.60 -1.74 -0.92 -4.01 117.46 115.03 1sxj n PHE 19 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1sxj n PHE 19 Cb 0.25 0.13 0.00 0.00 1.52 0.00 0.00 39.48 41.38 1sxj n PHE 19 CO 0.00 0.00 0.00 0.36 -0.56 0.00 0.00 176.76 176.56 1sxj n LYS 20 N 0.00 0.97 -0.04 3.97 -0.00 -0.50 -2.88 118.16 119.67 1sxj n LYS 20 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1sxj n LYS 20 Cb 0.54 -1.07 -0.12 0.00 -0.00 0.00 0.00 35.03 34.38 1sxj n LYS 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1sxj n ASP 21 N -0.42 1.35 -0.01 -5.58 10.43 -1.26 -4.57 116.55 116.49 1sxj n ASP 21 Ca 0.00 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.44 1sxj n ASP 21 Cb 0.04 1.26 -0.12 0.00 1.84 0.00 0.00 41.12 44.13 1sxj n ASP 21 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sxj s VAL 23 N -3.07 1.68 -0.08 0.00 1.01 -1.14 -3.75 120.40 115.05 1sxj s VAL 23 Ca -0.04 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 1sxj s VAL 23 Cb 0.11 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1sxj s VAL 23 CO 0.70 0.41 -0.19 0.00 0.00 0.00 0.00 175.10 176.02 1sxj n GLN 24 N 2.38 0.28 -3.72 2.72 6.02 -1.26 -4.56 117.38 119.25 1sxj n GLN 24 Ca -0.16 0.11 -0.36 0.00 -0.01 0.00 0.00 57.00 56.59 1sxj n GLN 24 Cb 0.53 -0.96 -0.07 0.00 1.02 0.00 0.00 30.24 30.75 1sxj n GLN 24 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1sxj s LEU 25 N -6.97 4.27 -0.10 1.08 2.01 -1.26 -1.01 118.68 116.70 1sxj s LEU 25 Ca -0.16 0.37 -0.07 0.00 0.01 0.00 0.00 54.13 54.28 1sxj s LEU 25 Cb 0.02 -2.16 0.03 0.00 0.01 0.00 0.00 46.19 44.09 1sxj s LEU 25 CO 0.23 0.22 0.25 0.54 1.01 0.00 0.00 176.35 178.60 1sxj s VAL 26 N 0.02 -0.02 -0.26 -1.59 0.11 -1.26 -4.92 120.40 112.48 1sxj s VAL 26 Ca 0.12 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.04 1sxj s VAL 26 Cb -0.12 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1sxj s VAL 26 CO 0.01 0.03 0.57 0.20 -3.33 0.00 0.00 175.10 172.57 1sxj s ASN 27 N 0.62 6.50 -0.48 3.54 0.01 -1.26 -4.41 114.94 119.46 1sxj s ASN 27 Ca -0.04 0.60 -0.17 0.00 -0.71 0.00 0.00 52.86 52.54 1sxj s ASN 27 Cb -0.05 -2.31 0.06 0.00 0.41 0.00 0.00 41.25 39.36 1sxj s ASN 27 CO -0.04 -0.32 0.49 -0.36 -1.51 0.00 0.00 177.10 175.36 1sxj s PHE 28 N 2.39 3.16 -0.26 2.20 0.40 -0.66 -4.34 117.98 120.88 1sxj s PHE 28 Ca 0.23 -0.73 -0.29 0.00 -0.60 0.00 0.00 56.93 55.54 1sxj s PHE 28 Cb -0.16 -3.28 0.01 0.00 0.51 0.00 0.00 43.02 40.10 1sxj s PHE 28 CO 0.09 -0.88 1.03 -0.65 0.70 0.00 0.00 175.22 175.51 1sxj s GLN 29 N 2.06 4.20 -0.13 0.44 -1.52 0.32 -1.27 119.66 123.76 1sxj s GLN 29 Ca 0.09 1.25 -0.01 0.00 -1.95 0.00 0.00 55.36 54.73 1sxj s GLN 29 Cb -0.22 -3.67 -0.02 0.00 -0.22 0.00 0.00 33.01 28.88 1sxj s GLN 29 CO 0.09 -0.69 -0.07 0.00 -0.25 0.00 0.00 175.29 174.36 1sxj n LYS 31 N 3.20 0.26 0.01 0.00 5.02 -0.76 -1.68 118.16 124.22 1sxj n LYS 31 Ca -0.18 -1.14 -0.15 0.00 -2.02 0.00 0.00 58.31 54.82 1sxj n LYS 31 Cb 0.53 1.07 -0.09 0.00 -0.02 0.00 0.00 35.03 36.51 1sxj n LYS 31 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1sxj h GLU 32 N 0.00 -0.58 -0.57 1.97 5.08 -1.85 -3.08 114.58 115.54 1sxj h GLU 32 Ca -0.11 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1sxj h GLU 32 Cb 0.47 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1sxj h GLU 32 CO 0.14 -0.39 0.18 0.38 -1.00 0.00 0.00 179.01 178.33 1sxj h ASP 33 N -0.61 0.82 0.00 1.42 -0.00 -1.95 -3.47 116.42 112.64 1sxj h ASP 33 Ca 0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 57.03 56.86 1sxj h ASP 33 Cb 0.69 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 39.81 1sxj h ASP 33 CO -0.41 0.81 0.00 0.61 -0.00 0.00 0.00 179.24 180.25 1sxj n GLY 34 N -0.71 -0.68 3.39 7.15 0.00 -1.17 -0.76 105.19 112.42 1sxj n GLY 34 Ca 0.03 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1sxj n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sxj s ILE 35 N -3.64 3.15 -0.00 -0.61 1.01 0.97 -1.82 121.20 120.25 1sxj s ILE 35 Ca 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1sxj s ILE 35 Cb 0.00 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1sxj s ILE 35 CO 0.00 0.53 -0.17 -0.51 0.00 0.00 0.00 174.94 174.78 1sxj s ILE 36 N 0.28 1.35 -0.29 2.92 2.07 -0.31 0.13 121.20 127.36 1sxj s ILE 36 Ca -0.09 -0.79 -0.15 0.00 -1.41 0.00 0.00 60.65 58.22 1sxj s ILE 36 Cb -0.15 -1.13 0.10 0.00 0.13 0.00 0.00 42.46 41.40 1sxj s ILE 36 CO 0.05 0.33 0.71 0.00 -1.91 0.00 0.00 174.94 174.13 1sxj s ALA 37 N -0.47 -1.98 0.07 1.50 0.00 -1.11 -0.52 121.76 119.25 1sxj s ALA 37 Ca 0.06 2.38 0.08 0.00 0.00 0.00 0.00 51.96 54.48 1sxj s ALA 37 Cb -0.07 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1sxj s ALA 37 CO -0.00 -0.52 -0.22 1.14 0.00 0.00 0.00 175.76 176.15 1sxj s GLN 38 N 1.94 1.39 -0.18 0.00 -2.07 -1.26 0.93 119.66 120.40 1sxj s GLN 38 Ca -0.09 -1.06 -0.14 0.00 -1.82 0.00 0.00 55.36 52.25 1sxj s GLN 38 Cb -0.07 -1.58 0.05 0.00 -1.09 0.00 0.00 33.01 30.32 1sxj s GLN 38 CO -0.19 0.39 0.48 0.00 -1.32 0.00 0.00 175.29 174.65 1sxj s ALA 39 N -0.91 -1.20 0.37 2.60 0.00 0.12 -4.59 121.76 118.15 1sxj s ALA 39 Ca 0.08 1.50 -0.14 0.00 0.00 0.00 0.00 51.96 53.40 1sxj s ALA 39 Cb -0.09 -0.88 -0.08 0.00 0.00 0.00 0.00 23.12 22.06 1sxj s ALA 39 CO 0.03 -0.25 0.77 0.08 0.00 0.00 0.00 175.76 176.38 1sxj s VAL 40 N 0.72 4.70 0.92 0.00 1.01 -1.26 -0.48 120.40 126.01 1sxj s VAL 40 Ca -0.04 0.85 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 1sxj s VAL 40 Cb -0.05 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.81 1sxj s VAL 40 CO -0.05 -0.34 1.09 -0.62 0.00 0.00 0.00 175.10 175.18 1sxj s ASP 41 N -2.64 3.15 0.23 3.32 3.68 0.83 -4.88 116.67 120.35 1sxj s ASP 41 Ca 0.54 1.67 0.01 0.00 2.13 0.00 0.00 52.55 56.90 1sxj s ASP 41 Cb -0.10 -2.32 0.23 0.00 -1.45 0.00 0.00 42.92 39.28 1sxj s ASP 41 CO 0.23 -2.87 1.58 -0.78 0.13 0.00 0.00 175.17 173.46 1sxj h ASP 42 N -1.71 0.48 -0.00 -0.34 -0.00 -1.90 -2.22 116.42 110.73 1sxj h ASP 42 Ca -0.49 -0.24 0.00 0.00 -0.00 0.00 0.00 57.03 56.30 1sxj h ASP 42 Cb 1.28 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 40.47 1sxj h ASP 42 CO 0.51 0.89 -0.00 -1.54 -0.00 0.00 0.00 179.24 179.10 1sxj n SER 43 N -3.98 0.97 -3.55 2.28 3.41 -1.26 -4.93 113.62 106.57 1sxj n SER 43 Ca -0.02 -1.32 -0.25 0.00 -0.26 0.00 0.00 58.87 57.03 1sxj n SER 43 Cb 0.56 -0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.57 1sxj n SER 43 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sxj n ARG 44 N -0.24 -7.21 -0.02 4.33 1.74 -0.84 -4.89 116.66 109.53 1sxj n ARG 44 Ca 0.21 0.81 -0.02 0.00 -0.77 0.00 0.00 57.85 58.08 1sxj n ARG 44 Cb 0.27 -5.82 -0.03 0.00 -1.02 0.00 0.00 32.46 25.86 1sxj n ARG 44 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sxj n VAL 45 N -4.90 0.25 -4.81 1.55 0.31 -1.26 -4.92 118.33 104.55 1sxj n VAL 45 Ca -0.00 -0.15 -0.33 0.00 -0.01 0.00 0.00 64.34 63.85 1sxj n VAL 45 Cb 0.56 -0.88 -0.15 0.00 -0.91 0.00 0.00 33.84 32.46 1sxj n VAL 45 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1sxj s LEU 46 N -4.35 2.47 -0.16 7.52 2.96 -1.26 -1.62 118.68 124.24 1sxj s LEU 46 Ca -0.02 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 1sxj s LEU 46 Cb 0.01 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1sxj s LEU 46 CO 0.15 0.14 0.06 -0.22 -1.32 0.00 0.00 176.35 175.15 1sxj s LEU 47 N 0.50 3.83 -0.15 -0.68 2.96 0.71 -0.12 118.68 125.73 1sxj s LEU 47 Ca -0.11 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1sxj s LEU 47 Cb -0.16 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1sxj s LEU 47 CO 0.05 0.23 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.48 1sxj s VAL 48 N 0.01 2.83 -0.07 1.68 1.01 0.37 -0.39 120.40 125.84 1sxj s VAL 48 Ca 0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1sxj s VAL 48 Cb -0.12 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1sxj s VAL 48 CO 0.01 0.52 -0.17 -0.55 0.00 0.00 0.00 175.10 174.91 1sxj s SER 49 N 0.65 2.22 0.35 3.32 0.15 -0.28 0.12 113.70 120.22 1sxj s SER 49 Ca -0.08 -0.38 0.09 0.00 0.70 0.00 0.00 55.95 56.28 1sxj s SER 49 Cb -0.16 -0.92 -0.06 0.00 -1.71 0.00 0.00 66.02 63.17 1sxj s SER 49 CO 0.02 0.10 -0.00 -0.22 1.20 0.00 0.00 173.24 174.34 1sxj s LEU 50 N 0.42 2.93 -0.30 3.45 2.96 0.26 -0.60 118.68 127.81 1sxj s LEU 50 Ca -0.13 -1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 52.68 1sxj s LEU 50 Cb -0.15 -1.25 0.19 0.00 0.50 0.00 0.00 46.19 45.48 1sxj s LEU 50 CO 0.05 -0.26 0.70 -0.70 -1.32 0.00 0.00 176.35 174.82 1sxj s GLU 51 N -3.70 0.48 -0.33 1.98 2.12 -0.86 -2.74 118.70 115.64 1sxj s GLU 51 Ca 0.35 0.82 -0.05 0.00 0.36 0.00 0.00 54.97 56.44 1sxj s GLU 51 Cb 0.01 0.45 0.04 0.00 0.26 0.00 0.00 34.13 34.89 1sxj s GLU 51 CO 0.19 -0.55 0.07 0.42 -0.54 0.00 0.00 175.26 174.85 1sxj s ILE 52 N 2.88 3.57 0.44 -3.70 -1.09 0.34 -1.83 121.20 121.80 1sxj s ILE 52 Ca 0.16 -1.19 -0.21 0.00 -2.23 0.00 0.00 60.65 57.17 1sxj s ILE 52 Cb -0.13 -3.02 -0.10 0.00 -1.58 0.00 0.00 42.46 37.62 1sxj s ILE 52 CO -0.19 -0.15 0.97 -0.83 -1.23 0.00 0.00 174.94 173.51 1sxj s GLY 53 N 1.36 2.44 0.00 6.18 0.00 0.55 -0.02 107.32 117.83 1sxj s GLY 53 Ca -0.03 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1sxj s GLY 53 CO 0.02 0.76 0.63 1.55 0.00 0.00 0.00 173.10 176.06 1sxj n VAL 54 N -0.65 0.76 0.69 1.40 3.14 0.06 -1.76 118.33 121.97 1sxj n VAL 54 Ca 0.07 0.24 0.07 0.00 -2.96 0.00 0.00 64.34 61.76 1sxj n VAL 54 Cb 0.53 -1.24 0.19 0.00 -1.06 0.00 0.00 33.84 32.26 1sxj n VAL 54 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1sxj n GLU 55 N -1.13 1.96 0.00 1.45 4.07 -1.26 -3.71 120.64 122.01 1sxj n GLU 55 Ca 0.00 -1.49 0.09 0.00 -0.06 0.00 0.00 57.16 55.70 1sxj n GLU 55 Cb 0.05 -1.33 0.04 0.00 -0.06 0.00 0.00 31.44 30.15 1sxj n GLU 55 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sxj n ALA 56 N 0.71 2.84 -2.88 4.31 0.00 -0.72 -4.86 120.51 119.91 1sxj n ALA 56 Ca 0.14 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 1sxj n ALA 56 Cb 0.35 -0.61 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 1sxj n ALA 56 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sxj s PHE 57 N -1.75 2.81 -0.62 0.00 0.40 -1.24 -2.68 117.98 114.89 1sxj s PHE 57 Ca 0.18 -0.44 0.12 0.00 -0.60 0.00 0.00 56.93 56.19 1sxj s PHE 57 Cb 0.15 -1.79 0.62 0.00 0.51 0.00 0.00 43.02 42.51 1sxj s PHE 57 CO 0.33 -0.06 1.38 0.94 0.70 0.00 0.00 175.22 178.51 1sxj n GLN 58 N 3.12 0.07 -3.65 0.44 7.27 0.16 -4.49 117.38 120.31 1sxj n GLN 58 Ca -0.18 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.42 1sxj n GLN 58 Cb 0.53 -1.72 -0.06 0.00 2.41 0.00 0.00 30.24 31.39 1sxj n GLN 58 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1sxj s GLU 59 N -3.26 0.19 -0.08 3.69 2.12 -1.25 -5.00 118.70 115.11 1sxj s GLU 59 Ca -0.00 0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.64 1sxj s GLU 59 Cb 0.04 0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.50 1sxj s GLU 59 CO 0.14 -0.04 0.03 -0.47 -0.54 0.00 0.00 175.26 174.38 1sxj s TYR 60 N 1.16 0.42 0.00 5.30 5.04 -1.26 -0.50 117.35 127.52 1sxj s TYR 60 Ca -0.08 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 1sxj s TYR 60 Cb -0.03 -0.69 0.00 0.00 0.35 0.00 0.00 41.96 41.60 1sxj s TYR 60 CO -0.12 -0.31 0.00 0.54 -1.34 0.00 0.00 175.55 174.32 1sxj n ARG 61 N 5.21 0.00 -2.55 4.97 1.74 -0.84 -4.98 116.66 120.21 1sxj n ARG 61 Ca -0.06 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.01 1sxj n ARG 61 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1sxj n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sxj n ASP 63 N 0.35 0.00 -4.93 0.00 8.00 -1.26 -4.46 116.55 114.25 1sxj n ASP 63 Ca 0.03 0.27 -0.25 0.00 0.71 0.00 0.00 54.79 55.55 1sxj n ASP 63 Cb 0.10 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1sxj n ASP 63 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1sxj s HIS 64 N -0.55 3.23 -0.07 1.24 3.76 -1.26 -4.74 115.29 116.90 1sxj s HIS 64 Ca 0.00 0.52 -0.30 0.00 -0.15 0.00 0.00 55.06 55.13 1sxj s HIS 64 Cb 0.00 -2.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.02 1sxj s HIS 64 CO 0.00 -0.72 1.26 -2.14 -0.85 0.00 0.00 174.74 172.30 1sxj s PRO 65 N -4.88 4.31 0.02 8.40 0.02 -1.26 -4.78 135.00 136.83 1sxj s PRO 65 Ca 0.53 1.74 0.04 0.00 0.02 0.00 0.00 61.00 63.33 1sxj s PRO 65 Cb -0.10 -3.62 -0.02 0.00 0.02 0.00 0.00 34.50 30.78 1sxj s PRO 65 CO 0.43 -0.54 -0.13 0.54 -0.33 0.00 0.00 177.00 176.97 1sxj s VAL 66 N 2.58 1.06 -0.24 3.83 0.11 -0.68 -4.98 120.40 122.09 1sxj s VAL 66 Ca 0.58 -0.82 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 1sxj s VAL 66 Cb -0.26 -0.94 -0.05 0.00 -1.53 0.00 0.00 36.38 33.61 1sxj s VAL 66 CO 0.21 0.11 0.20 -0.89 -3.33 0.00 0.00 175.10 171.41 1sxj s THR 67 N -0.63 5.33 -0.73 5.04 2.01 -1.26 -0.99 115.64 124.40 1sxj s THR 67 Ca 0.03 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 1sxj s THR 67 Cb -0.07 -3.54 0.18 0.00 0.01 0.00 0.00 72.50 69.09 1sxj s THR 67 CO 0.01 0.31 0.56 -0.76 -0.69 0.00 0.00 174.62 174.04 1sxj s LEU 68 N 1.25 5.21 0.43 4.42 2.01 -0.40 -4.93 118.68 126.67 1sxj s LEU 68 Ca 0.09 -3.34 -0.22 0.00 0.01 0.00 0.00 54.13 50.67 1sxj s LEU 68 Cb -0.14 -1.82 -0.10 0.00 0.01 0.00 0.00 46.19 44.14 1sxj s LEU 68 CO 0.06 -0.25 0.98 -0.83 1.01 0.00 0.00 176.35 177.33 1sxj s GLY 69 N -0.03 2.51 -0.21 -3.19 0.00 -1.26 -1.65 107.32 103.48 1sxj s GLY 69 Ca 0.22 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.46 1sxj s GLY 69 CO -0.08 0.83 -0.11 -0.35 0.00 0.00 0.00 173.10 173.39 1sxj s ASP 71 N -1.99 3.54 0.58 1.64 2.15 -1.26 -4.53 116.67 116.80 1sxj s ASP 71 Ca 0.62 -0.95 0.28 0.00 0.43 0.00 0.00 52.55 52.92 1sxj s ASP 71 Cb -0.14 -1.28 1.60 0.00 -0.30 0.00 0.00 42.92 42.80 1sxj s ASP 71 CO 0.18 -0.15 2.06 -0.07 -0.17 0.00 0.00 175.17 177.02 1sxj h LEU 72 N 7.95 0.00 -0.17 -1.34 3.38 -1.38 -0.85 115.31 122.89 1sxj h LEU 72 Ca -0.27 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.51 1sxj h LEU 72 Cb 1.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1sxj h LEU 72 CO 0.48 0.00 -0.62 0.74 0.09 0.00 0.00 178.44 179.12 1sxj h THR 73 N 0.00 1.30 0.54 0.22 2.02 -1.88 0.16 112.91 115.27 1sxj h THR 73 Ca 0.12 -1.85 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 1sxj h THR 73 Cb 0.62 1.95 0.01 0.00 -1.74 0.00 0.00 68.15 68.99 1sxj h THR 73 CO -0.00 0.58 -0.26 0.28 0.37 0.00 0.00 175.52 176.49 1sxj h SER 74 N 0.44 -0.62 -1.06 4.18 0.02 -1.71 -2.40 113.55 112.41 1sxj h SER 74 Ca -0.03 -0.01 0.28 0.00 -0.84 0.00 0.00 61.79 61.19 1sxj h SER 74 Cb 1.25 0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.87 1sxj h SER 74 CO 0.13 -0.21 0.70 0.25 -1.14 0.00 0.00 176.83 176.56 1sxj h LEU 75 N -1.16 0.35 -0.74 5.07 5.85 -1.27 0.44 115.31 123.86 1sxj h LEU 75 Ca -0.07 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1sxj h LEU 75 Cb 0.59 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1sxj h LEU 75 CO 0.12 0.07 -0.40 -1.28 -0.34 0.00 0.00 178.44 176.61 1sxj h SER 76 N 0.31 0.52 -0.57 1.25 0.87 -0.88 -1.68 113.55 113.37 1sxj h SER 76 Ca 0.58 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1sxj h SER 76 Cb 1.64 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 1sxj h SER 76 CO -0.24 0.86 0.19 0.11 -0.53 0.00 0.00 176.83 177.23 1sxj h LYS 77 N 0.41 0.87 0.67 2.24 1.57 0.40 -2.53 116.57 120.20 1sxj h LYS 77 Ca 0.04 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1sxj h LYS 77 Cb 0.88 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.07 1sxj h LYS 77 CO 0.07 0.78 -0.32 0.82 -0.57 0.00 0.00 179.45 180.23 1sxj h ILE 78 N 0.79 0.19 -0.94 1.86 2.04 -1.20 -2.95 117.51 117.30 1sxj h ILE 78 Ca 0.18 -0.25 0.27 0.00 1.00 0.00 0.00 64.86 66.06 1sxj h ILE 78 Cb 0.26 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1sxj h ILE 78 CO -0.01 0.02 0.69 -0.07 0.00 0.00 0.00 178.15 178.78 1sxj h LEU 79 N -1.11 0.00 -2.73 1.44 3.38 -1.32 0.56 115.31 115.52 1sxj h LEU 79 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1sxj h LEU 79 Cb 0.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1sxj h LEU 79 CO 0.15 0.00 0.01 -0.09 0.09 0.00 0.00 178.44 178.60 1sxj h ARG 80 N 0.00 0.00 0.57 1.13 2.43 -1.26 -3.06 114.38 114.18 1sxj h ARG 80 Ca 0.45 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 1sxj h ARG 80 Cb 1.82 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.37 1sxj h ARG 80 CO -0.00 0.00 -0.27 0.00 -1.51 0.00 0.00 179.97 178.18 1sxj n GLY 82 N -0.75 -1.29 0.00 0.00 0.00 -1.16 -5.00 105.19 97.00 1sxj n GLY 82 Ca -0.09 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1sxj n GLY 82 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxj n ASN 83 N 1.76 0.00 0.00 1.61 3.02 -1.26 -5.03 115.26 115.36 1sxj n ASN 83 Ca 0.17 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1sxj n ASN 83 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1sxj n ASN 83 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sxj n ASN 84 N -2.96 0.00 -3.96 6.41 3.02 -1.26 -3.88 115.26 112.62 1sxj n ASN 84 Ca 0.00 0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 54.56 1sxj n ASN 84 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1sxj n ASN 84 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sxj n THR 85 N -0.38 0.54 -3.79 3.41 -1.04 -1.26 -4.77 114.28 107.00 1sxj n THR 85 Ca 0.00 -0.51 -0.13 0.00 -2.04 0.00 0.00 64.05 61.37 1sxj n THR 85 Cb 0.00 -2.07 -0.12 0.00 -1.82 0.00 0.00 70.33 66.31 1sxj n THR 85 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1sxj s ASP 86 N 7.05 -0.21 -0.71 8.00 1.01 -1.25 -4.41 116.67 126.15 1sxj s ASP 86 Ca 0.71 0.41 -0.09 0.00 0.71 0.00 0.00 52.55 54.29 1sxj s ASP 86 Cb 0.07 0.39 0.18 0.00 1.01 0.00 0.00 42.92 44.58 1sxj s ASP 86 CO 0.24 -0.09 0.59 0.42 0.21 0.00 0.00 175.17 176.54 1sxj s THR 87 N 0.37 4.65 0.11 -1.27 -4.23 -0.88 -3.60 115.64 110.78 1sxj s THR 87 Ca -0.02 -2.64 -0.31 0.00 -1.18 0.00 0.00 61.69 57.54 1sxj s THR 87 Cb -0.04 -3.94 -0.09 0.00 1.34 0.00 0.00 72.50 69.77 1sxj s THR 87 CO -0.02 -0.94 1.68 -0.22 -0.54 0.00 0.00 174.62 174.58 1sxj s LEU 88 N 0.16 4.37 -0.18 4.79 2.96 -1.25 -3.70 118.68 125.83 1sxj s LEU 88 Ca 0.16 2.59 0.01 0.00 -0.22 0.00 0.00 54.13 56.67 1sxj s LEU 88 Cb -0.16 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.99 1sxj s LEU 88 CO -0.06 -0.90 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.03 1sxj s THR 89 N 2.29 1.84 0.16 3.68 2.01 -0.52 -0.57 115.64 124.52 1sxj s THR 89 Ca 0.75 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1sxj s THR 89 Cb -0.42 -1.75 -0.07 0.00 0.01 0.00 0.00 72.50 70.26 1sxj s THR 89 CO 0.33 0.39 0.98 -0.76 -0.69 0.00 0.00 174.62 174.86 1sxj s LEU 90 N 1.35 4.54 -0.02 4.42 1.02 0.65 -1.64 118.68 128.99 1sxj s LEU 90 Ca 0.02 1.89 -0.00 0.00 0.02 0.00 0.00 54.13 56.06 1sxj s LEU 90 Cb -0.14 -3.60 0.03 0.00 0.02 0.00 0.00 46.19 42.50 1sxj s LEU 90 CO -0.11 -0.03 0.03 -0.63 0.02 0.00 0.00 176.35 175.63 1sxj s ILE 91 N -0.36 -0.06 -0.04 -0.59 1.01 -0.21 -1.55 121.20 119.40 1sxj s ILE 91 Ca 0.46 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 1sxj s ILE 91 Cb -0.25 -0.08 0.03 0.00 0.01 0.00 0.00 42.46 42.17 1sxj s ILE 91 CO 0.31 0.09 0.08 0.00 0.00 0.00 0.00 174.94 175.42 1sxj s ALA 92 N 1.11 -0.06 1.00 9.38 0.00 -0.47 -0.31 121.76 132.41 1sxj s ALA 92 Ca -0.09 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1sxj s ALA 92 Cb -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1sxj s ALA 92 CO -0.03 -0.13 0.00 -0.25 0.00 0.00 0.00 175.76 175.35 1sxj n ASP 93 N 4.19 0.00 -4.73 0.00 8.00 -1.26 -1.40 116.55 121.34 1sxj n ASP 93 Ca -0.27 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 1sxj n ASP 93 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 1sxj n ASP 93 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1sxj s ASN 94 N -1.02 6.81 -1.31 -2.24 0.01 -1.26 -4.15 114.94 111.79 1sxj s ASN 94 Ca 0.00 0.97 -0.13 0.00 -0.71 0.00 0.00 52.86 52.99 1sxj s ASN 94 Cb 0.00 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.34 1sxj s ASN 94 CO 0.00 0.00 0.52 0.41 -1.51 0.00 0.00 177.10 176.52 1sxj n THR 95 N 3.47 -3.56 -1.06 1.60 -1.04 -1.26 -4.85 114.28 107.58 1sxj n THR 95 Ca -0.06 -0.66 -0.35 0.00 -2.04 0.00 0.00 64.05 60.94 1sxj n THR 95 Cb 0.51 -2.87 0.08 0.00 -1.82 0.00 0.00 70.33 66.24 1sxj n THR 95 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1sxj n PRO 96 N -4.49 0.04 0.00 -2.82 -0.02 -1.26 -4.94 135.00 121.51 1sxj n PRO 96 Ca -0.21 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1sxj n PRO 96 Cb 0.64 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1sxj n PRO 96 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sxj n ASP 97 N -0.20 2.45 0.00 2.55 10.43 -1.26 -4.98 116.55 125.55 1sxj n ASP 97 Ca 0.07 -0.19 0.00 0.00 2.57 0.00 0.00 54.79 57.25 1sxj n ASP 97 Cb 0.52 0.86 0.00 0.00 1.84 0.00 0.00 41.12 44.34 1sxj n ASP 97 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 1sxj n SER 98 N -1.11 0.00 -3.62 -2.24 2.88 -1.26 -1.41 113.62 106.86 1sxj n SER 98 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1sxj n SER 98 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1sxj n SER 98 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1sxj s ILE 99 N -1.36 0.00 0.01 2.46 1.10 -0.59 -4.66 121.20 118.16 1sxj s ILE 99 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 1sxj s ILE 99 Cb 0.00 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.57 1sxj s ILE 99 CO 0.00 0.00 0.05 -0.63 -2.11 0.00 0.00 174.94 172.25 1sxj s ILE 100 N 0.01 4.46 -0.31 2.00 1.01 0.58 0.17 121.20 129.12 1sxj s ILE 100 Ca 0.02 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1sxj s ILE 100 Cb -0.04 -3.04 0.10 0.00 0.01 0.00 0.00 42.46 39.48 1sxj s ILE 100 CO -0.04 0.32 0.07 -0.76 0.00 0.00 0.00 174.94 174.54 1sxj s LEU 101 N -1.78 2.89 -0.35 2.97 1.02 0.79 -1.05 118.68 123.18 1sxj s LEU 101 Ca 0.23 -1.72 -0.21 0.00 0.02 0.00 0.00 54.13 52.45 1sxj s LEU 101 Cb -0.12 -1.08 0.00 0.00 0.02 0.00 0.00 46.19 45.02 1sxj s LEU 101 CO 0.14 -0.39 0.64 -0.22 0.02 0.00 0.00 176.35 176.54 1sxj s LEU 102 N 1.42 4.23 -0.86 1.79 2.96 -0.65 -1.71 118.68 125.86 1sxj s LEU 102 Ca 0.09 0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.10 1sxj s LEU 102 Cb -0.18 -2.80 0.22 0.00 0.50 0.00 0.00 46.19 43.93 1sxj s LEU 102 CO -0.19 -0.58 0.79 -0.36 -1.32 0.00 0.00 176.35 174.69 1sxj s PHE 103 N 2.71 3.82 0.71 5.38 0.40 0.15 -1.44 117.98 129.70 1sxj s PHE 103 Ca 0.25 -2.29 -0.05 0.00 -0.60 0.00 0.00 56.93 54.24 1sxj s PHE 103 Cb -0.14 -3.70 0.09 0.00 0.51 0.00 0.00 43.02 39.77 1sxj s PHE 103 CO 0.14 -0.95 1.00 -1.21 0.70 0.00 0.00 175.22 174.91 1sxj s GLU 104 N -0.24 1.92 0.03 0.44 2.02 -1.24 -1.95 118.70 119.68 1sxj s GLU 104 Ca 0.21 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1sxj s GLU 104 Cb -0.11 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 1sxj s GLU 104 CO -0.08 -1.34 -0.04 0.34 0.02 0.00 0.00 175.26 174.16 1sxj s ASP 105 N -4.61 0.38 0.13 -0.19 -1.08 -1.20 -2.07 116.67 108.04 1sxj s ASP 105 Ca 0.63 -0.63 -0.31 0.00 -0.52 0.00 0.00 52.55 51.72 1sxj s ASP 105 Cb -0.08 0.12 -0.09 0.00 -1.46 0.00 0.00 42.92 41.40 1sxj s ASP 105 CO 0.44 -0.36 1.52 0.74 0.52 0.00 0.00 175.17 178.03 1sxj h THR 106 N 4.25 0.00 -1.75 1.71 2.02 -1.92 -3.18 112.91 114.04 1sxj h THR 106 Ca -0.33 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.39 1sxj h THR 106 Cb 1.19 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1sxj h THR 106 CO 0.47 0.00 1.29 -0.54 0.37 0.00 0.00 175.52 177.11 1sxj s LYS 107 N -5.49 2.53 0.00 6.66 -0.14 -1.26 -4.80 119.74 117.24 1sxj s LYS 107 Ca -0.13 0.60 0.00 0.00 -1.36 0.00 0.00 55.97 55.08 1sxj s LYS 107 Cb 0.09 -4.50 0.00 0.00 -1.68 0.00 0.00 37.83 31.74 1sxj s LYS 107 CO 0.59 -2.92 0.00 1.63 -0.76 0.00 0.00 175.35 173.89 1sxj n LYS 108 N 9.12 0.00 -0.10 1.68 5.02 -1.20 -2.42 118.16 130.25 1sxj n LYS 108 Ca 0.25 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.66 1sxj n LYS 108 Cb 0.52 -1.01 0.21 0.00 -0.02 0.00 0.00 35.03 34.73 1sxj n LYS 108 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1sxj n ASP 109 N 0.51 3.00 -3.62 4.39 9.92 -1.26 -4.82 116.55 124.67 1sxj n ASP 109 Ca 0.00 -1.94 -0.24 0.00 -0.53 0.00 0.00 54.79 52.08 1sxj n ASP 109 Cb 0.00 -0.14 -0.17 0.00 -0.64 0.00 0.00 41.12 40.17 1sxj n ASP 109 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1sxj s ARG 110 N -1.72 0.03 -0.04 -1.24 0.52 -1.02 -5.13 118.95 110.34 1sxj s ARG 110 Ca 0.35 0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.64 1sxj s ARG 110 Cb 0.21 -1.45 0.00 0.00 0.52 0.00 0.00 34.95 34.24 1sxj s ARG 110 CO 0.31 -0.58 -0.14 0.42 0.02 0.00 0.00 175.30 175.34 1sxj s ILE 111 N 2.15 1.16 -0.18 1.52 1.09 -1.26 -3.21 121.20 122.47 1sxj s ILE 111 Ca 0.03 -0.55 -0.04 0.00 -1.10 0.00 0.00 60.65 58.98 1sxj s ILE 111 Cb -0.15 -1.02 0.06 0.00 -1.06 0.00 0.00 42.46 40.29 1sxj s ILE 111 CO -0.07 0.35 0.07 0.00 -0.10 0.00 0.00 174.94 175.19 1sxj s ALA 112 N 0.22 0.62 -0.09 9.38 0.00 -0.82 -5.02 121.76 126.05 1sxj s ALA 112 Ca -0.06 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1sxj s ALA 112 Cb -0.11 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1sxj s ALA 112 CO 0.02 -1.20 -0.17 -1.83 0.00 0.00 0.00 175.76 172.58 1sxj s GLU 113 N 2.04 2.96 0.03 0.00 -1.05 -1.26 0.30 118.70 121.72 1sxj s GLU 113 Ca 0.01 -0.75 0.08 0.00 -0.15 0.00 0.00 54.97 54.17 1sxj s GLU 113 Cb -0.16 -2.44 -0.03 0.00 -0.44 0.00 0.00 34.13 31.05 1sxj s GLU 113 CO -0.10 0.36 -0.24 0.71 0.95 0.00 0.00 175.26 176.93 1sxj s TYR 114 N -0.05 2.39 -0.05 4.83 1.51 -0.69 -4.95 117.35 120.34 1sxj s TYR 114 Ca -0.04 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1sxj s TYR 114 Cb -0.14 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1sxj s TYR 114 CO 0.04 0.13 0.04 0.45 -1.11 0.00 0.00 175.55 175.10 1sxj s SER 115 N -1.18 5.45 -0.15 2.29 0.15 -1.26 -0.15 113.70 118.84 1sxj s SER 115 Ca 0.12 0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 1sxj s SER 115 Cb -0.10 -1.54 0.05 0.00 -1.71 0.00 0.00 66.02 62.71 1sxj s SER 115 CO 0.02 0.33 0.02 -0.22 1.20 0.00 0.00 173.24 174.59 1sxj s LEU 116 N -1.28 0.99 0.10 3.45 0.20 0.13 -4.92 118.68 117.33 1sxj s LEU 116 Ca 0.17 -0.57 -0.31 0.00 0.69 0.00 0.00 54.13 54.12 1sxj s LEU 116 Cb -0.12 -0.55 -0.09 0.00 -0.43 0.00 0.00 46.19 45.00 1sxj s LEU 116 CO 0.07 -0.26 1.72 -0.54 -0.29 0.00 0.00 176.35 177.06 1sxj s LYS 117 N 1.89 4.17 0.00 1.98 1.02 -1.26 -1.54 119.74 126.00 1sxj s LYS 117 Ca 0.01 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1sxj s LYS 117 Cb -0.15 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.58 1sxj s LYS 117 CO -0.07 -0.78 0.00 1.28 -0.92 0.00 0.00 175.35 174.86 1sxj n LEU 118 N 5.58 0.00 -3.68 3.17 4.77 -0.50 -4.81 117.00 121.53 1sxj n LEU 118 Ca 0.17 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.86 1sxj n LEU 118 Cb 0.39 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.33 1sxj n LEU 118 CO 0.64 -0.05 -0.34 -0.62 -1.33 0.00 0.00 177.39 175.69 1sxj s ASP 120 N -1.19 3.28 -0.17 -1.43 -1.08 -1.26 -4.91 116.67 109.91 1sxj s ASP 120 Ca 0.00 -1.11 -0.01 0.00 -0.52 0.00 0.00 52.55 50.90 1sxj s ASP 120 Cb 0.00 -0.57 -0.01 0.00 -1.46 0.00 0.00 42.92 40.88 1sxj s ASP 120 CO 0.00 -0.37 -0.11 -0.63 0.52 0.00 0.00 175.17 174.58 1sxj s ILE 121 N 1.88 3.01 -1.17 4.11 1.01 -1.26 -5.03 121.20 123.76 1sxj s ILE 121 Ca 0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 1sxj s ILE 121 Cb -0.17 -2.31 0.24 0.00 0.01 0.00 0.00 42.46 40.24 1sxj s ILE 121 CO -0.19 0.49 1.57 0.47 0.00 0.00 0.00 174.94 177.27 1sxj n ASP 122 N 4.18 5.74 -4.68 3.58 8.00 -1.26 -5.01 116.55 127.10 1sxj n ASP 122 Ca -0.19 -3.22 -0.42 0.00 0.71 0.00 0.00 54.79 51.67 1sxj n ASP 122 Cb 0.52 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.20 1sxj n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sxj s ALA 123 N -1.08 3.67 -1.18 2.24 0.00 -1.26 -4.91 121.76 119.23 1sxj s ALA 123 Ca 0.35 1.18 -0.20 0.00 0.00 0.00 0.00 51.96 53.29 1sxj s ALA 123 Cb 0.04 -3.71 0.04 0.00 0.00 0.00 0.00 23.12 19.49 1sxj s ALA 123 CO 0.04 -1.18 1.69 0.34 0.00 0.00 0.00 175.76 176.65 1sxj s ASP 124 N 2.68 6.45 -0.02 0.00 -1.08 -1.26 -4.93 116.67 118.51 1sxj s ASP 124 Ca 0.75 -1.98 -0.31 0.00 -0.52 0.00 0.00 52.55 50.49 1sxj s ASP 124 Cb -0.39 -2.58 -0.10 0.00 -1.46 0.00 0.00 42.92 38.39 1sxj s ASP 124 CO 0.32 -1.56 1.96 0.33 0.52 0.00 0.00 175.17 176.74 1sxj n PHE 125 N 9.49 2.43 -3.69 -5.34 7.35 -1.26 -4.96 117.46 121.47 1sxj n PHE 125 Ca 0.43 -0.24 -0.26 0.00 -0.76 0.00 0.00 57.45 56.62 1sxj n PHE 125 Cb 0.48 -2.76 -0.03 0.00 0.35 0.00 0.00 39.48 37.52 1sxj n PHE 125 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1sxj s LEU 126 N 4.54 4.21 -1.03 -2.13 1.43 -1.26 -5.05 118.68 119.38 1sxj s LEU 126 Ca 0.91 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.27 1sxj s LEU 126 Cb -0.52 -3.15 0.26 0.00 0.03 0.00 0.00 46.19 42.81 1sxj s LEU 126 CO 0.45 -0.08 1.01 -0.54 0.23 0.00 0.00 176.35 177.42 1sxj s LYS 127 N -3.55 4.02 0.00 1.70 1.02 -1.26 -5.03 119.74 116.64 1sxj s LYS 127 Ca 0.38 -2.98 -0.30 0.00 0.02 0.00 0.00 55.97 53.08 1sxj s LYS 127 Cb -0.11 -4.52 -0.05 0.00 -0.52 0.00 0.00 37.83 32.64 1sxj s LYS 127 CO 0.30 -1.26 1.28 0.42 -0.92 0.00 0.00 175.35 175.17 1sxj s ILE 128 N -0.81 3.96 -0.06 2.17 1.09 -1.26 -5.01 121.20 121.27 1sxj s ILE 128 Ca 0.27 1.35 0.02 0.00 -1.10 0.00 0.00 60.65 61.19 1sxj s ILE 128 Cb -0.10 -3.87 0.01 0.00 -1.06 0.00 0.00 42.46 37.45 1sxj s ILE 128 CO -0.08 0.03 -0.12 -1.61 -0.10 0.00 0.00 174.94 173.05 1sxj s GLU 129 N 1.93 1.70 -0.20 2.79 2.02 -1.26 -5.09 118.70 120.59 1sxj s GLU 129 Ca 0.60 -0.42 -0.32 0.00 0.02 0.00 0.00 54.97 54.85 1sxj s GLU 129 Cb -0.29 -1.40 -0.09 0.00 0.10 0.00 0.00 34.13 32.44 1sxj s GLU 129 CO 0.26 0.03 2.08 0.39 0.02 0.00 0.00 175.26 178.04 1sxj n GLU 130 N 3.79 1.82 -3.68 1.61 1.02 -1.26 -4.95 120.64 118.99 1sxj n GLU 130 Ca -0.23 0.58 -0.22 0.00 -0.02 0.00 0.00 57.16 57.27 1sxj n GLU 130 Cb 0.52 -2.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.12 1sxj n GLU 130 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sxj s LEU 131 N 6.37 3.20 -0.55 -4.62 1.43 -1.26 -5.08 118.68 118.17 1sxj s LEU 131 Ca 1.00 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 53.08 1sxj s LEU 131 Cb -0.62 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 43.96 1sxj s LEU 131 CO 0.45 -0.76 0.47 -1.10 0.23 0.00 0.00 176.35 175.64 1sxj s GLN 132 N -4.16 2.85 0.39 1.70 -0.21 -1.26 -5.07 119.66 113.90 1sxj s GLN 132 Ca 0.45 -1.83 -0.23 0.00 0.02 0.00 0.00 55.36 53.76 1sxj s GLN 132 Cb -0.02 -4.16 -0.10 0.00 1.00 0.00 0.00 33.01 29.73 1sxj s GLN 132 CO 0.26 -1.27 0.96 0.71 -2.12 0.00 0.00 175.29 173.83 1sxj s TYR 133 N 1.31 3.44 0.45 0.91 1.51 -1.26 -4.96 117.35 118.75 1sxj s TYR 133 Ca 0.06 1.68 0.11 0.00 -1.01 0.00 0.00 57.07 57.91 1sxj s TYR 133 Cb -0.26 -2.91 1.00 0.00 -0.11 0.00 0.00 41.96 39.68 1sxj s TYR 133 CO 0.00 -0.05 2.08 -0.44 -1.11 0.00 0.00 175.55 176.03 1sxj h ASP 134 N 2.43 0.27 -4.77 2.29 3.32 -1.52 -3.44 116.42 115.00 1sxj h ASP 134 Ca -0.48 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.39 1sxj h ASP 134 Cb 1.19 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.45 1sxj h ASP 134 CO 0.63 0.22 -0.60 -0.44 -1.72 0.00 0.00 179.24 177.33 1sxj s SER 135 N -6.85 0.09 -0.31 6.45 0.01 -0.64 -1.31 113.70 111.14 1sxj s SER 135 Ca -0.07 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 1sxj s SER 135 Cb 0.17 0.16 0.12 0.00 0.21 0.00 0.00 66.02 66.68 1sxj s SER 135 CO 0.71 -0.28 0.22 -0.89 0.41 0.00 0.00 173.24 173.40 1sxj s THR 136 N -1.17 -0.16 0.23 1.44 2.01 -1.13 -1.09 115.64 115.76 1sxj s THR 136 Ca -0.13 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.04 1sxj s THR 136 Cb -0.07 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.50 1sxj s THR 136 CO 0.00 -0.68 0.28 0.00 -0.69 0.00 0.00 174.62 173.53 1sxj n LEU 137 N 4.95 0.00 -3.63 4.42 -0.00 -0.31 -1.56 117.00 120.87 1sxj n LEU 137 Ca 0.00 -1.04 -0.08 0.00 -0.00 0.00 0.00 56.01 54.89 1sxj n LEU 137 Cb 0.43 -0.13 -0.07 0.00 -0.00 0.00 0.00 43.42 43.65 1sxj n LEU 137 CO 0.05 -0.53 0.81 -0.55 -0.00 0.00 0.00 177.39 177.17 1sxj s SER 138 N -2.40 -0.37 0.23 1.45 0.15 -1.26 -2.37 113.70 109.13 1sxj s SER 138 Ca 0.21 0.68 -0.22 0.00 0.70 0.00 0.00 55.95 57.31 1sxj s SER 138 Cb -0.02 0.67 0.04 0.00 -1.71 0.00 0.00 66.02 65.00 1sxj s SER 138 CO 0.13 -0.15 0.78 -1.48 1.20 0.00 0.00 173.24 173.72 1sxj s LEU 139 N -0.01 -0.27 0.25 3.45 2.34 -1.02 -1.66 118.68 121.77 1sxj s LEU 139 Ca 0.03 -0.48 -0.31 0.00 0.06 0.00 0.00 54.13 53.43 1sxj s LEU 139 Cb -0.04 2.54 -0.13 0.00 -0.56 0.00 0.00 46.19 48.00 1sxj s LEU 139 CO -0.07 -1.17 1.52 -2.65 -1.06 0.00 0.00 176.35 172.92 1sxj n PRO 140 N -0.45 2.35 0.02 1.48 -0.02 -1.26 0.00 135.00 137.13 1sxj n PRO 140 Ca -0.06 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1sxj n PRO 140 Cb 0.60 -2.57 0.31 0.00 -0.02 0.00 0.00 33.50 31.82 1sxj n PRO 140 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1sxj h SER 141 N 4.84 0.45 0.22 2.55 4.64 -0.89 -1.94 113.55 123.42 1sxj h SER 141 Ca -0.46 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.75 1sxj h SER 141 Cb 1.25 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1sxj h SER 141 CO 0.80 0.53 -0.14 0.77 -0.87 0.00 0.00 176.83 177.93 1sxj h SER 142 N 0.46 0.00 0.03 4.97 4.64 -1.89 -1.07 113.55 120.68 1sxj h SER 142 Ca 0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 1sxj h SER 142 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1sxj h SER 142 CO 0.01 0.14 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.45 1sxj h GLU 143 N 0.00 0.17 -0.72 4.77 5.08 -1.74 -2.69 114.58 119.45 1sxj h GLU 143 Ca -0.00 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1sxj h GLU 143 Cb 0.29 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1sxj h GLU 143 CO 0.02 1.03 0.47 0.35 -1.00 0.00 0.00 179.01 179.88 1sxj h PHE 144 N -0.59 0.76 0.84 4.33 3.57 -1.23 -0.50 116.94 124.11 1sxj h PHE 144 Ca -0.05 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1sxj h PHE 144 Cb 1.17 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.67 1sxj h PHE 144 CO 0.21 0.40 -0.40 0.77 -2.23 0.00 0.00 178.31 177.06 1sxj h SER 145 N 0.75 -0.95 -0.53 0.41 0.02 -1.23 -0.62 113.55 111.39 1sxj h SER 145 Ca 0.31 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.40 1sxj h SER 145 Cb 0.26 0.25 -0.10 0.00 0.14 0.00 0.00 62.40 62.95 1sxj h SER 145 CO -0.10 -0.66 -0.14 0.50 -1.14 0.00 0.00 176.83 175.29 1sxj h LYS 146 N -1.16 -0.01 -0.18 3.45 1.63 -1.08 0.28 116.57 119.50 1sxj h LYS 146 Ca -0.11 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.73 1sxj h LYS 146 Cb 0.86 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.44 1sxj h LYS 146 CO 0.19 -0.01 -0.14 0.82 -3.45 0.00 0.00 179.45 176.86 1sxj h ILE 147 N -0.01 0.60 -0.56 2.00 2.04 -1.05 0.19 117.51 120.71 1sxj h ILE 147 Ca 0.25 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.08 1sxj h ILE 147 Cb 0.39 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1sxj h ILE 147 CO -0.55 0.00 0.20 0.58 0.00 0.00 0.00 178.15 178.39 1sxj h VAL 148 N -0.15 1.23 -0.48 1.67 2.07 0.03 -1.79 116.25 118.82 1sxj h VAL 148 Ca 0.11 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1sxj h VAL 148 Cb 0.31 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1sxj h VAL 148 CO -0.27 0.28 0.10 0.03 0.02 0.00 0.00 177.57 177.73 1sxj h ARG 149 N 0.77 0.78 0.82 1.57 3.08 -0.12 -2.22 114.38 119.05 1sxj h ARG 149 Ca 0.18 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1sxj h ARG 149 Cb 0.23 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1sxj h ARG 149 CO -0.01 0.78 -0.47 -0.44 -1.07 0.00 0.00 179.97 178.75 1sxj h ASP 150 N 0.66 -1.18 -0.66 7.04 3.32 -0.42 -3.14 116.42 122.03 1sxj h ASP 150 Ca 0.15 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.32 1sxj h ASP 150 Cb 0.36 0.34 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 1sxj h ASP 150 CO 0.01 -0.75 0.44 -0.07 -1.72 0.00 0.00 179.24 177.15 1sxj h LEU 151 N -1.20 0.60 -2.26 1.55 -0.00 -1.38 -2.31 115.31 110.31 1sxj h LEU 151 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1sxj h LEU 151 Cb 0.95 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 1sxj h LEU 151 CO 0.13 0.40 0.02 0.77 -0.00 0.00 0.00 178.44 179.76 1sxj h SER 152 N 0.69 0.00 1.44 -0.43 4.64 -1.34 0.13 113.55 118.68 1sxj h SER 152 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1sxj h SER 152 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1sxj h SER 152 CO -0.09 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.43 1sxj h GLN 153 N 0.00 0.00 0.01 4.77 4.20 -1.48 -3.33 115.11 119.28 1sxj h GLN 153 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 1sxj h GLN 153 Cb 0.04 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.76 1sxj h GLN 153 CO 0.00 0.00 -2.40 1.28 -0.67 0.00 0.00 178.83 177.04 1sxj n LEU 154 N -2.37 2.19 -3.98 1.46 4.32 0.43 -5.05 117.00 113.99 1sxj n LEU 154 Ca 0.05 -0.06 -0.08 0.00 -0.02 0.00 0.00 56.01 55.89 1sxj n LEU 154 Cb 0.42 -0.56 -0.08 0.00 -1.62 0.00 0.00 43.42 41.57 1sxj n LEU 154 CO 0.30 0.81 -0.19 -0.55 -1.22 0.00 0.00 177.39 176.53 1sxj s SER 155 N -6.31 0.25 0.00 -1.43 0.15 -1.11 -3.68 113.70 101.57 1sxj s SER 155 Ca -0.27 -0.86 0.28 0.00 0.70 0.00 0.00 55.95 55.80 1sxj s SER 155 Cb 0.08 0.30 1.07 0.00 -1.71 0.00 0.00 66.02 65.76 1sxj s SER 155 CO 0.68 -0.71 1.79 0.47 1.20 0.00 0.00 173.24 176.66 1sxj n ASP 156 N -0.03 0.27 -4.12 5.45 8.00 -1.26 -4.54 116.55 120.32 1sxj n ASP 156 Ca -0.12 -0.06 -0.23 0.00 0.71 0.00 0.00 54.79 55.09 1sxj n ASP 156 Cb 0.62 -0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.40 1sxj n ASP 156 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1sxj s SER 157 N -2.81 1.73 -0.15 -2.24 0.01 -1.26 -0.26 113.70 108.72 1sxj s SER 157 Ca 0.19 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1sxj s SER 157 Cb 0.19 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.25 1sxj s SER 157 CO 0.55 0.18 -0.13 -0.63 0.41 0.00 0.00 173.24 173.62 1sxj s ILE 158 N -0.36 1.50 -0.18 1.44 1.09 -0.17 -4.44 121.20 120.09 1sxj s ILE 158 Ca 0.06 -0.62 -0.18 0.00 -1.10 0.00 0.00 60.65 58.81 1sxj s ILE 158 Cb -0.06 -1.44 -0.04 0.00 -1.06 0.00 0.00 42.46 39.87 1sxj s ILE 158 CO -0.01 0.42 0.48 0.21 -0.10 0.00 0.00 174.94 175.94 1sxj s ASN 159 N 1.51 6.57 0.40 3.58 2.47 0.10 -1.28 114.94 128.29 1sxj s ASN 159 Ca 0.04 0.67 0.08 0.00 0.42 0.00 0.00 52.86 54.08 1sxj s ASN 159 Cb -0.13 -2.28 -0.03 0.00 -1.45 0.00 0.00 41.25 37.37 1sxj s ASN 159 CO -0.10 -0.11 0.33 -0.63 -3.72 0.00 0.00 177.10 172.88 1sxj s ILE 160 N 1.28 2.77 -0.30 -5.21 1.01 0.24 0.11 121.20 121.10 1sxj s ILE 160 Ca 0.23 -1.40 -0.14 0.00 0.00 0.00 0.00 60.65 59.34 1sxj s ILE 160 Cb -0.15 -3.03 0.18 0.00 0.01 0.00 0.00 42.46 39.48 1sxj s ILE 160 CO 0.09 -0.04 1.14 -0.63 0.00 0.00 0.00 174.94 175.51 1sxj s ILE 162 N -2.46 -0.07 -0.07 2.92 -1.09 -0.65 -2.57 121.20 117.21 1sxj s ILE 162 Ca 0.46 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.91 1sxj s ILE 162 Cb -0.03 -0.04 0.01 0.00 -1.58 0.00 0.00 42.46 40.82 1sxj s ILE 162 CO 0.27 0.00 -0.15 -0.89 -1.23 0.00 0.00 174.94 172.93 1sxj s THR 163 N 2.55 1.37 -1.27 2.92 2.01 -1.06 -2.68 115.64 119.49 1sxj s THR 163 Ca 0.24 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.54 1sxj s THR 163 Cb 0.02 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 1sxj s THR 163 CO -0.20 0.41 0.66 0.29 -0.69 0.00 0.00 174.62 175.09 1sxj n LYS 164 N 3.64 -3.11 -3.63 4.92 4.76 -1.26 -2.83 118.16 120.64 1sxj n LYS 164 Ca -0.21 0.52 -0.20 0.00 -2.87 0.00 0.00 58.31 55.55 1sxj n LYS 164 Cb 0.52 -4.69 0.00 0.00 -1.84 0.00 0.00 35.03 29.03 1sxj n LYS 164 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1sxj n GLU 165 N -4.22 -1.45 -3.64 1.97 1.02 -1.26 -4.99 120.64 108.06 1sxj n GLU 165 Ca -0.23 0.90 -0.07 0.00 -0.02 0.00 0.00 57.16 57.74 1sxj n GLU 165 Cb 0.65 -3.12 -0.07 0.00 -0.02 0.00 0.00 31.44 28.88 1sxj n GLU 165 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1sxj s THR 166 N -3.02 0.00 -0.28 2.62 2.01 -1.13 -4.71 115.64 111.14 1sxj s THR 166 Ca 0.02 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 1sxj s THR 166 Cb -0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1sxj s THR 166 CO 0.87 0.00 0.32 -0.63 -0.69 0.00 0.00 174.62 174.49 1sxj s ILE 167 N 1.45 5.21 -0.10 1.82 1.09 -0.72 -2.57 121.20 127.37 1sxj s ILE 167 Ca -0.09 0.42 -0.00 0.00 -1.10 0.00 0.00 60.65 59.88 1sxj s ILE 167 Cb -0.05 -3.66 0.02 0.00 -1.06 0.00 0.00 42.46 37.71 1sxj s ILE 167 CO -0.17 0.16 -0.08 -0.75 -0.10 0.00 0.00 174.94 174.00 1sxj s LYS 168 N 1.98 1.51 -0.16 2.79 2.20 -1.26 -0.49 119.74 126.32 1sxj s LYS 168 Ca 0.13 -0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.44 1sxj s LYS 168 Cb -0.16 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.60 1sxj s LYS 168 CO 0.10 -0.23 -0.04 -0.06 -0.36 0.00 0.00 175.35 174.77 1sxj s PHE 169 N 1.57 3.02 0.07 4.03 0.40 0.71 -4.36 117.98 123.41 1sxj s PHE 169 Ca 0.02 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1sxj s PHE 169 Cb -0.13 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1sxj s PHE 169 CO -0.07 -0.06 -0.17 0.08 0.70 0.00 0.00 175.22 175.71 1sxj s VAL 170 N 0.43 1.33 -0.11 -0.44 1.01 0.12 -1.00 120.40 121.72 1sxj s VAL 170 Ca -0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 1sxj s VAL 170 Cb -0.14 -1.22 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1sxj s VAL 170 CO 0.03 -0.08 0.07 0.00 0.00 0.00 0.00 175.10 175.11 1sxj s ALA 171 N -1.09 0.42 -0.34 5.51 0.00 0.83 0.02 121.76 127.11 1sxj s ALA 171 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 1sxj s ALA 171 Cb -0.09 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.23 1sxj s ALA 171 CO 0.02 -0.84 0.08 0.34 0.00 0.00 0.00 175.76 175.37 1sxj s ASP 172 N 2.11 5.12 0.00 0.00 -1.08 -1.26 0.10 116.67 121.66 1sxj s ASP 172 Ca 0.03 -1.42 0.00 0.00 -0.52 0.00 0.00 52.55 50.64 1sxj s ASP 172 Cb -0.14 -1.79 0.00 0.00 -1.46 0.00 0.00 42.92 39.53 1sxj s ASP 172 CO -0.06 -0.35 0.00 0.61 0.52 0.00 0.00 175.17 175.89 1sxj n GLY 173 N 4.68 4.24 0.13 2.66 0.00 -0.04 -4.80 105.19 112.07 1sxj n GLY 173 Ca -0.10 -1.95 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 1sxj n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxj n ASP 174 N 0.00 2.03 0.20 1.61 8.00 -1.26 -4.21 116.55 122.92 1sxj n ASP 174 Ca 0.00 0.08 0.05 0.00 0.71 0.00 0.00 54.79 55.63 1sxj n ASP 174 Cb 0.00 -0.66 0.42 0.00 -0.02 0.00 0.00 41.12 40.87 1sxj n ASP 174 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1sxj h ILE 175 N 0.04 1.05 0.00 0.53 3.07 -1.97 -3.48 117.51 116.75 1sxj h ILE 175 Ca -0.48 -1.18 0.00 0.00 1.55 0.00 0.00 64.86 64.74 1sxj h ILE 175 Cb 1.99 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 40.21 1sxj h ILE 175 CO 0.02 0.32 0.00 0.61 -1.05 0.00 0.00 178.15 178.05 1sxj n GLY 176 N -0.37 -0.79 3.47 0.16 0.00 -1.26 -5.17 105.19 101.23 1sxj n GLY 176 Ca -0.02 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1sxj n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxj s SER 177 N -4.00 3.11 -0.05 1.61 1.04 -1.26 -0.86 113.70 113.29 1sxj s SER 177 Ca 0.00 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.22 1sxj s SER 177 Cb 0.00 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.91 1sxj s SER 177 CO 0.00 -0.30 0.01 -0.83 0.98 0.00 0.00 173.24 173.10 1sxj s GLY 178 N -3.51 0.37 -0.06 7.32 0.00 0.29 -4.97 107.32 106.76 1sxj s GLY 178 Ca 0.31 0.01 0.02 0.00 0.00 0.00 0.00 44.72 45.06 1sxj s GLY 178 CO 0.14 1.03 -0.12 -0.56 0.00 0.00 0.00 173.10 173.59 1sxj s SER 179 N 1.75 1.75 -0.04 1.64 0.01 -1.26 -0.12 113.70 117.43 1sxj s SER 179 Ca 0.01 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1sxj s SER 179 Cb -0.13 -0.75 0.01 0.00 0.21 0.00 0.00 66.02 65.37 1sxj s SER 179 CO -0.04 0.05 -0.08 -0.69 0.41 0.00 0.00 173.24 172.89 1sxj s VAL 180 N 0.55 0.75 -0.03 3.43 1.01 -0.18 -5.01 120.40 120.93 1sxj s VAL 180 Ca -0.12 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1sxj s VAL 180 Cb -0.15 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1sxj s VAL 180 CO 0.03 0.26 -0.06 -0.63 0.00 0.00 0.00 175.10 174.70 1sxj s ILE 181 N 0.58 0.56 -0.05 2.22 1.01 -1.26 -0.21 121.20 124.05 1sxj s ILE 181 Ca -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1sxj s ILE 181 Cb -0.12 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.82 1sxj s ILE 181 CO 0.01 0.20 -0.10 0.27 0.00 0.00 0.00 174.94 175.32 1sxj s ILE 182 N 0.39 0.94 -0.15 2.92 -4.36 0.36 -5.01 121.20 116.28 1sxj s ILE 182 Ca -0.05 -0.39 -0.07 0.00 -0.26 0.00 0.00 60.65 59.87 1sxj s ILE 182 Cb -0.09 -0.86 -0.04 0.00 1.25 0.00 0.00 42.46 42.72 1sxj s ILE 182 CO 0.00 0.30 0.11 -0.54 0.24 0.00 0.00 174.94 175.05 1sxj s LYS 183 N 0.51 3.72 0.61 0.37 -0.14 -1.26 -1.76 119.74 121.79 1sxj s LYS 183 Ca -0.10 -0.23 -0.18 0.00 -1.36 0.00 0.00 55.97 54.11 1sxj s LYS 183 Cb -0.13 -3.22 -0.05 0.00 -1.68 0.00 0.00 37.83 32.75 1sxj s LYS 183 CO 0.02 0.53 0.85 -2.30 -0.76 0.00 0.00 175.35 173.69 1sxj n PRO 184 N 2.75 0.74 -3.76 -1.68 -0.02 -1.26 -4.86 135.00 126.91 1sxj n PRO 184 Ca -0.18 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1sxj n PRO 184 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1sxj n PRO 184 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1sxj s PHE 185 N -1.60 -0.02 -0.21 6.00 -0.71 -0.24 -4.95 117.98 116.25 1sxj s PHE 185 Ca 0.74 -0.16 -0.04 0.00 -1.04 0.00 0.00 56.93 56.44 1sxj s PHE 185 Cb -0.41 0.59 0.09 0.00 -1.21 0.00 0.00 43.02 42.08 1sxj s PHE 185 CO 0.49 -0.45 0.22 0.08 -1.34 0.00 0.00 175.22 174.21 1sxj s VAL 186 N -2.43 -0.31 0.47 -2.49 1.01 -1.26 -2.36 120.40 113.03 1sxj s VAL 186 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1sxj s VAL 186 Cb 0.02 -0.70 0.09 0.00 0.00 0.00 0.00 36.38 35.79 1sxj s VAL 186 CO -0.01 -0.23 0.64 -0.67 0.00 0.00 0.00 175.10 174.83 1sxj n ASP 187 N 5.32 0.76 0.00 3.32 2.03 -1.26 -5.06 116.55 121.66 1sxj n ASP 187 Ca -0.05 -1.67 0.00 0.00 0.52 0.00 0.00 54.79 53.59 1sxj n ASP 187 Cb 0.49 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1sxj n ASP 187 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1sxj n GLU 189 N -2.20 0.00 -3.46 -0.67 0.00 -1.26 -1.89 120.64 111.16 1sxj n GLU 189 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.99 1sxj n GLU 189 Cb 0.37 -0.03 -0.12 0.00 0.00 0.00 0.00 31.44 31.66 1sxj n GLU 189 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1sxj s HIS 190 N 0.00 0.53 0.56 4.31 5.04 -1.26 -5.01 115.29 119.46 1sxj s HIS 190 Ca 0.00 -1.41 0.29 0.00 -1.54 0.00 0.00 55.06 52.39 1sxj s HIS 190 Cb 0.00 -0.84 1.47 0.00 0.04 0.00 0.00 32.58 33.24 1sxj s HIS 190 CO 0.00 -0.85 1.93 -1.35 -2.34 0.00 0.00 174.74 172.13 1sxj h PRO 191 N 7.22 0.00 0.00 2.88 0.11 -1.79 -1.65 132.00 138.77 1sxj h PRO 191 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1sxj h PRO 191 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1sxj h PRO 191 CO 0.28 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.46 1sxj n GLU 192 N -4.04 0.10 -0.40 1.05 1.02 -1.26 -2.74 120.64 114.37 1sxj n GLU 192 Ca 0.11 0.29 0.10 0.00 -0.02 0.00 0.00 57.16 57.64 1sxj n GLU 192 Cb 0.72 -1.68 0.30 0.00 -0.02 0.00 0.00 31.44 30.76 1sxj n GLU 192 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1sxj n THR 193 N -1.87 1.24 -3.10 2.62 -2.24 -0.62 -4.42 114.28 105.89 1sxj n THR 193 Ca 0.03 -1.07 -0.36 0.00 -2.27 0.00 0.00 64.05 60.38 1sxj n THR 193 Cb 0.24 0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1sxj n THR 193 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sxj s SER 194 N -1.01 7.07 -0.28 3.42 1.04 -1.11 -4.87 113.70 117.97 1sxj s SER 194 Ca 0.45 1.42 -0.10 0.00 0.48 0.00 0.00 55.95 58.20 1sxj s SER 194 Cb 0.25 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 1sxj s SER 194 CO 0.28 0.05 0.15 -0.63 0.98 0.00 0.00 173.24 174.07 1sxj s ILE 195 N -1.49 4.85 0.57 -1.02 -1.09 -0.99 -4.54 121.20 117.49 1sxj s ILE 195 Ca 0.42 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.77 1sxj s ILE 195 Cb -0.17 -3.35 0.11 0.00 -1.58 0.00 0.00 42.46 37.46 1sxj s ILE 195 CO 0.21 0.21 0.78 0.29 -1.23 0.00 0.00 174.94 175.21 1sxj n LYS 196 N 5.01 0.24 0.00 2.79 4.76 -0.66 -1.08 118.16 129.22 1sxj n LYS 196 Ca -0.14 -2.42 0.00 0.00 -2.87 0.00 0.00 58.31 52.87 1sxj n LYS 196 Cb 0.51 -0.43 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 1sxj n LYS 196 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1sxj n LEU 197 N 0.00 0.00 -4.66 -0.35 7.94 -1.26 -4.00 117.00 114.67 1sxj n LEU 197 Ca 0.14 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.75 1sxj n LEU 197 Cb 0.50 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.37 1sxj n LEU 197 CO 0.33 0.00 -0.35 -1.61 -1.11 0.00 0.00 177.39 174.66 1sxj s GLU 198 N 0.00 2.43 0.00 1.96 2.02 -0.60 -4.98 118.70 119.53 1sxj s GLU 198 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1sxj s GLU 198 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1sxj s GLU 198 CO 0.00 0.50 0.00 -0.25 0.02 0.00 0.00 175.26 175.53 1sxj n ASP 200 N 0.32 0.00 -3.57 -0.19 8.00 -0.43 -2.82 116.55 117.86 1sxj n ASP 200 Ca -0.11 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.23 1sxj n ASP 200 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 1sxj n ASP 200 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1sxj s GLN 201 N -0.02 0.96 0.84 -1.24 -1.52 -0.95 -5.06 119.66 112.67 1sxj s GLN 201 Ca 0.00 0.57 -0.12 0.00 -1.95 0.00 0.00 55.36 53.86 1sxj s GLN 201 Cb 0.00 0.46 0.10 0.00 -0.22 0.00 0.00 33.01 33.35 1sxj s GLN 201 CO 0.00 -0.23 1.17 -2.14 -0.25 0.00 0.00 175.29 173.84 1sxj s PRO 202 N -0.52 1.48 -0.09 2.91 0.02 -1.26 -4.36 135.00 133.18 1sxj s PRO 202 Ca -0.06 1.64 -0.04 0.00 0.02 0.00 0.00 61.00 62.55 1sxj s PRO 202 Cb -0.02 -1.77 0.04 0.00 0.02 0.00 0.00 34.50 32.77 1sxj s PRO 202 CO 0.06 -2.31 0.20 0.14 -0.33 0.00 0.00 177.00 174.76 1sxj s VAL 203 N -2.38 -0.04 -0.35 3.83 -7.23 -1.09 -4.86 120.40 108.27 1sxj s VAL 203 Ca 0.70 0.16 -0.00 0.00 -1.81 0.00 0.00 61.98 61.03 1sxj s VAL 203 Cb -0.25 -0.31 0.12 0.00 0.56 0.00 0.00 36.38 36.49 1sxj s VAL 203 CO 0.53 0.07 0.16 -0.62 -0.31 0.00 0.00 175.10 174.93 1sxj s ASP 204 N 1.22 3.66 0.19 4.85 2.15 -1.26 -1.63 116.67 125.85 1sxj s ASP 204 Ca -0.09 -1.98 0.10 0.00 0.43 0.00 0.00 52.55 51.01 1sxj s ASP 204 Cb -0.11 -0.76 -0.04 0.00 -0.30 0.00 0.00 42.92 41.71 1sxj s ASP 204 CO -0.07 -0.36 -0.21 -0.76 -0.17 0.00 0.00 175.17 173.60 1sxj s LEU 205 N 1.22 2.46 -0.08 -1.34 1.43 -1.06 -5.01 118.68 116.30 1sxj s LEU 205 Ca 0.13 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1sxj s LEU 205 Cb -0.20 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.04 1sxj s LEU 205 CO -0.14 0.03 -0.15 -0.89 0.23 0.00 0.00 176.35 175.42 1sxj s THR 206 N -1.98 1.40 0.18 5.49 2.01 -1.26 -0.59 115.64 120.88 1sxj s THR 206 Ca 0.19 -0.62 0.10 0.00 0.31 0.00 0.00 61.69 61.67 1sxj s THR 206 Cb -0.06 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1sxj s THR 206 CO 0.09 0.41 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.91 1sxj s PHE 207 N 0.66 2.49 0.04 4.92 0.08 -0.41 -1.54 117.98 124.22 1sxj s PHE 207 Ca -0.14 -0.28 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 1sxj s PHE 207 Cb -0.16 -1.24 -0.07 0.00 -0.57 0.00 0.00 43.02 40.99 1sxj s PHE 207 CO 0.04 0.49 1.44 0.20 -0.10 0.00 0.00 175.22 177.29 1sxj s GLY 208 N -2.67 1.83 0.40 4.36 0.00 -1.26 -1.00 107.32 108.99 1sxj s GLY 208 Ca 0.22 0.99 0.13 0.00 0.00 0.00 0.00 44.72 46.07 1sxj s GLY 208 CO 0.12 2.54 1.91 0.00 0.00 0.00 0.00 173.10 177.68 1sxj h ALA 209 N 7.70 2.02 -0.90 3.20 0.00 -0.93 -1.84 119.26 128.51 1sxj h ALA 209 Ca -0.40 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1sxj h ALA 209 Cb 1.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1sxj h ALA 209 CO 0.90 -0.23 0.49 -0.22 0.00 0.00 0.00 179.25 180.20 1sxj h LYS 210 N 0.50 1.26 0.00 0.00 3.64 -1.90 -1.63 116.57 118.44 1sxj h LYS 210 Ca 0.39 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1sxj h LYS 210 Cb 0.78 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1sxj h LYS 210 CO -0.14 0.92 -0.40 1.88 -2.27 0.00 0.00 179.45 179.45 1sxj h TYR 211 N 1.27 0.00 0.08 1.91 0.05 -1.73 -2.76 116.97 115.78 1sxj h TYR 211 Ca 0.32 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.84 1sxj h TYR 211 Cb 0.03 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.78 1sxj h TYR 211 CO 0.01 0.40 -1.12 -0.07 -1.05 0.00 0.00 178.16 176.32 1sxj h LEU 212 N 0.00 0.60 -2.28 3.88 3.38 -1.34 -1.63 115.31 117.92 1sxj h LEU 212 Ca -0.00 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1sxj h LEU 212 Cb 1.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1sxj h LEU 212 CO 0.05 1.38 -0.05 -0.07 0.09 0.00 0.00 178.44 179.84 1sxj h LEU 213 N 0.19 0.00 0.05 1.67 3.38 -1.19 -0.83 115.31 118.59 1sxj h LEU 213 Ca -0.13 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.52 1sxj h LEU 213 Cb 1.80 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.51 1sxj h LEU 213 CO 0.20 0.05 -1.81 -0.78 0.09 0.00 0.00 178.44 176.19 1sxj h ASP 214 N 0.00 0.17 0.11 -0.43 1.82 -1.32 -3.37 116.42 113.39 1sxj h ASP 214 Ca -0.00 -0.37 -0.18 0.00 -0.39 0.00 0.00 57.03 56.09 1sxj h ASP 214 Cb 0.20 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.15 1sxj h ASP 214 CO 0.01 1.33 -0.65 0.40 -1.61 0.00 0.00 179.24 178.71 1sxj h ILE 215 N 0.03 1.34 0.00 2.25 2.04 -0.70 -2.95 117.51 119.51 1sxj h ILE 215 Ca -0.33 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.56 1sxj h ILE 215 Cb 2.02 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1sxj h ILE 215 CO 0.09 0.60 0.00 2.30 0.00 0.00 0.00 178.15 181.14 1sxj n ILE 216 N -3.90 1.02 0.78 -0.67 -5.35 -0.37 -1.46 119.36 109.41 1sxj n ILE 216 Ca -0.04 0.25 0.11 0.00 -0.27 0.00 0.00 62.75 62.81 1sxj n ILE 216 Cb 0.66 -1.18 0.49 0.00 -1.74 0.00 0.00 39.64 37.88 1sxj n ILE 216 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1sxj n LYS 217 N -1.30 0.02 -0.01 6.28 5.02 -1.12 -2.00 118.16 125.06 1sxj n LYS 217 Ca 0.02 0.11 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1sxj n LYS 217 Cb 0.04 -1.52 0.63 0.00 -0.02 0.00 0.00 35.03 34.16 1sxj n LYS 217 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sxj n GLY 218 N 0.89 -0.87 2.17 0.72 0.00 -0.53 -4.29 105.19 103.29 1sxj n GLY 218 Ca 0.05 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1sxj n GLY 218 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxj n SER 219 N -0.72 6.68 0.00 1.61 7.64 -0.85 -2.22 113.62 125.76 1sxj n SER 219 Ca 0.17 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.55 1sxj n SER 219 Cb 0.11 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 1sxj n SER 219 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1sxj n SER 220 N 3.05 0.00 -0.09 6.43 3.41 -1.26 -4.89 113.62 120.27 1sxj n SER 220 Ca 0.58 -0.90 -0.12 0.00 -0.26 0.00 0.00 58.87 58.17 1sxj n SER 220 Cb 0.57 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 1sxj n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sxj n LEU 221 N 0.00 2.61 -3.91 1.04 4.77 -0.94 -4.99 117.00 115.57 1sxj n LEU 221 Ca 0.00 -0.09 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 1sxj n LEU 221 Cb 0.22 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 1sxj n LEU 221 CO 0.00 0.75 -0.39 -0.55 -1.33 0.00 0.00 177.39 175.87 1sxj s SER 222 N -5.64 0.51 0.00 -1.43 0.15 -1.26 -4.75 113.70 101.28 1sxj s SER 222 Ca -0.22 -0.07 0.19 0.00 0.70 0.00 0.00 55.95 56.55 1sxj s SER 222 Cb 0.06 -0.13 0.93 0.00 -1.71 0.00 0.00 66.02 65.17 1sxj s SER 222 CO 0.44 0.01 1.58 0.47 1.20 0.00 0.00 173.24 176.93 1sxj n ASP 223 N 3.34 0.00 -4.20 5.45 8.00 -1.26 -4.52 116.55 123.36 1sxj n ASP 223 Ca -0.17 0.08 -0.17 0.00 0.71 0.00 0.00 54.79 55.24 1sxj n ASP 223 Cb 0.56 -0.31 -0.11 0.00 -0.02 0.00 0.00 41.12 41.23 1sxj n ASP 223 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sxj s ARG 224 N -2.63 0.92 -0.08 -1.24 0.52 -1.26 -0.30 118.95 114.88 1sxj s ARG 224 Ca 0.17 -1.12 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 1sxj s ARG 224 Cb 0.12 -0.80 0.02 0.00 0.52 0.00 0.00 34.95 34.81 1sxj s ARG 224 CO 0.29 0.16 -0.11 0.54 0.02 0.00 0.00 175.30 176.20 1sxj s VAL 225 N -1.91 1.10 -0.05 3.52 0.11 0.10 -4.44 120.40 118.83 1sxj s VAL 225 Ca 0.04 -0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 58.51 1sxj s VAL 225 Cb -0.06 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 1sxj s VAL 225 CO 0.02 0.36 0.45 -0.83 -3.33 0.00 0.00 175.10 171.77 1sxj s GLY 226 N 1.02 2.45 -0.10 6.54 0.00 0.10 -2.43 107.32 114.90 1sxj s GLY 226 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1sxj s GLY 226 CO -0.01 0.48 -0.08 -0.42 0.00 0.00 0.00 173.10 173.08 1sxj s ILE 227 N -0.23 1.00 -0.19 0.90 1.09 -1.00 -0.16 121.20 122.60 1sxj s ILE 227 Ca 0.25 -0.30 -0.00 0.00 -1.10 0.00 0.00 60.65 59.50 1sxj s ILE 227 Cb -0.16 -1.00 0.01 0.00 -1.06 0.00 0.00 42.46 40.25 1sxj s ILE 227 CO 0.12 0.36 -0.15 -0.13 -0.10 0.00 0.00 174.94 175.03 1sxj s ARG 228 N 1.49 3.05 0.03 2.79 0.52 -0.56 -1.16 118.95 125.12 1sxj s ARG 228 Ca 0.01 -0.80 0.08 0.00 -0.52 0.00 0.00 55.73 54.50 1sxj s ARG 228 Cb -0.13 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 1sxj s ARG 228 CO -0.06 -0.23 -0.23 -0.51 0.02 0.00 0.00 175.30 174.30 1sxj s LEU 229 N 1.33 2.31 -0.18 2.53 1.43 -0.25 -1.93 118.68 123.91 1sxj s LEU 229 Ca 0.05 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.55 1sxj s LEU 229 Cb -0.14 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 44.77 1sxj s LEU 229 CO -0.10 0.27 0.43 -0.55 0.23 0.00 0.00 176.35 176.63 1sxj s SER 230 N -1.17 -0.54 0.60 2.29 0.15 -1.26 -1.33 113.70 112.44 1sxj s SER 230 Ca 0.12 0.93 0.29 0.00 0.70 0.00 0.00 55.95 57.99 1sxj s SER 230 Cb -0.10 0.81 1.29 0.00 -1.71 0.00 0.00 66.02 66.31 1sxj s SER 230 CO 0.02 -0.20 1.68 0.77 1.20 0.00 0.00 173.24 176.72 1sxj h SER 231 N 7.10 0.00 -1.61 5.45 4.64 -1.95 -2.56 113.55 124.62 1sxj h SER 231 Ca -0.36 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.38 1sxj h SER 231 Cb 1.19 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.86 1sxj h SER 231 CO 0.29 0.00 -0.75 -0.62 -0.87 0.00 0.00 176.83 174.88 1sxj n GLU 232 N -3.53 3.26 -3.62 4.77 1.02 -1.26 -5.04 120.64 116.24 1sxj n GLU 232 Ca 0.14 -4.49 -0.03 0.00 -0.02 0.00 0.00 57.16 52.76 1sxj n GLU 232 Cb 1.00 -2.19 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1sxj n GLU 232 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sxj s ALA 233 N -3.50 -2.14 0.50 0.62 0.00 -0.97 -5.15 121.76 111.13 1sxj s ALA 233 Ca 0.47 1.79 -0.23 0.00 0.00 0.00 0.00 51.96 53.99 1sxj s ALA 233 Cb 0.38 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 1sxj s ALA 233 CO -0.17 -0.51 1.27 -2.14 0.00 0.00 0.00 175.76 174.21 1sxj s PRO 234 N -2.01 3.46 0.80 0.00 0.02 -1.26 -4.54 135.00 131.47 1sxj s PRO 234 Ca 0.10 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 63.05 1sxj s PRO 234 Cb -0.01 -2.36 0.07 0.00 0.02 0.00 0.00 34.50 32.23 1sxj s PRO 234 CO -0.04 -0.87 1.11 0.00 -0.33 0.00 0.00 177.00 176.87 1sxj s ALA 235 N -1.40 2.07 -0.20 -1.55 0.00 0.62 -4.70 121.76 116.60 1sxj s ALA 235 Ca 0.67 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 1sxj s ALA 235 Cb -0.35 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.49 1sxj s ALA 235 CO 0.42 -1.99 -0.02 -1.17 0.00 0.00 0.00 175.76 173.01 1sxj s LEU 236 N -5.99 1.76 -0.20 0.00 0.20 -0.81 -1.43 118.68 112.21 1sxj s LEU 236 Ca 0.63 -0.88 -0.06 0.00 0.69 0.00 0.00 54.13 54.52 1sxj s LEU 236 Cb -0.19 -0.88 -0.03 0.00 -0.43 0.00 0.00 46.19 44.66 1sxj s LEU 236 CO 0.55 -0.25 0.02 -0.36 -0.29 0.00 0.00 176.35 176.02 1sxj s PHE 237 N 1.64 3.09 0.00 5.38 0.40 0.03 -1.50 117.98 127.03 1sxj s PHE 237 Ca -0.02 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 1sxj s PHE 237 Cb -0.17 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.26 1sxj s PHE 237 CO -0.07 -0.13 -0.12 -1.14 0.70 0.00 0.00 175.22 174.46 1sxj s GLN 238 N 0.83 0.91 -0.09 0.44 0.74 0.78 0.35 119.66 123.62 1sxj s GLN 238 Ca 0.01 -0.50 0.03 0.00 0.05 0.00 0.00 55.36 54.95 1sxj s GLN 238 Cb -0.14 -0.88 -0.01 0.00 1.10 0.00 0.00 33.01 33.08 1sxj s GLN 238 CO 0.02 0.24 -0.21 -0.06 -0.55 0.00 0.00 175.29 174.73 1sxj s PHE 239 N -0.45 2.60 -0.07 1.67 0.08 -0.70 -0.72 117.98 120.39 1sxj s PHE 239 Ca 0.03 -0.78 -0.18 0.00 0.12 0.00 0.00 56.93 56.12 1sxj s PHE 239 Cb -0.05 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 1sxj s PHE 239 CO -0.00 -0.26 0.47 -0.51 -0.10 0.00 0.00 175.22 174.82 1sxj s ASP 240 N 0.12 6.75 -0.06 1.36 -0.00 -1.26 -1.58 116.67 122.00 1sxj s ASP 240 Ca -0.10 0.90 0.04 0.00 -0.00 0.00 0.00 52.55 53.38 1sxj s ASP 240 Cb -0.16 -2.29 -0.02 0.00 -0.00 0.00 0.00 42.92 40.45 1sxj s ASP 240 CO 0.06 0.09 -0.17 -0.76 -0.00 0.00 0.00 175.17 174.40 1sxj s LEU 241 N 0.10 2.58 0.49 1.23 1.43 -0.33 -4.24 118.68 119.94 1sxj s LEU 241 Ca 0.26 -0.29 0.27 0.00 -1.03 0.00 0.00 54.13 53.35 1sxj s LEU 241 Cb -0.16 -1.52 0.94 0.00 0.03 0.00 0.00 46.19 45.48 1sxj s LEU 241 CO 0.12 0.30 1.13 0.29 0.23 0.00 0.00 176.35 178.42 1sxj n LYS 242 N 2.62 0.01 -1.41 1.70 5.02 -1.26 0.63 118.16 125.47 1sxj n LYS 242 Ca -0.17 0.86 0.04 0.00 -2.02 0.00 0.00 58.31 57.02 1sxj n LYS 242 Cb 0.52 -2.10 0.04 0.00 -0.02 0.00 0.00 35.03 33.48 1sxj n LYS 242 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1sxj n SER 243 N -3.09 1.11 0.00 4.39 7.64 -1.26 -4.98 113.62 117.43 1sxj n SER 243 Ca 0.24 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1sxj n SER 243 Cb 1.38 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1sxj n SER 243 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sxj n GLY 244 N 0.27 -0.76 3.60 0.23 0.00 0.20 0.20 105.19 108.94 1sxj n GLY 244 Ca 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 1sxj n GLY 244 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sxj s PHE 245 N -4.00 -0.11 -0.26 1.61 -0.12 -0.76 -1.18 117.98 113.16 1sxj s PHE 245 Ca 0.00 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.94 1sxj s PHE 245 Cb 0.00 0.52 0.07 0.00 -0.63 0.00 0.00 43.02 42.98 1sxj s PHE 245 CO 0.00 -0.20 -0.02 -1.17 -0.05 0.00 0.00 175.22 173.78 1sxj s LEU 246 N -2.29 2.88 0.09 -1.99 2.96 -0.61 -2.04 118.68 117.67 1sxj s LEU 246 Ca 0.10 -1.40 0.07 0.00 -0.22 0.00 0.00 54.13 52.68 1sxj s LEU 246 Cb -0.00 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 1sxj s LEU 246 CO -0.04 -0.28 -0.11 0.00 -1.32 0.00 0.00 176.35 174.60 1sxj s GLN 247 N 1.34 2.15 -0.06 1.98 -2.07 0.23 -1.72 119.66 121.52 1sxj s GLN 247 Ca -0.01 -0.99 0.05 0.00 -1.82 0.00 0.00 55.36 52.59 1sxj s GLN 247 Cb -0.19 -2.31 -0.01 0.00 -1.09 0.00 0.00 33.01 29.42 1sxj s GLN 247 CO -0.09 0.52 -0.22 -0.06 -1.32 0.00 0.00 175.29 174.12 1sxj s PHE 248 N -1.15 2.18 -0.31 9.60 0.40 0.16 -1.13 117.98 127.73 1sxj s PHE 248 Ca 0.20 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.83 1sxj s PHE 248 Cb -0.11 -1.45 0.05 0.00 0.51 0.00 0.00 43.02 42.03 1sxj s PHE 248 CO 0.12 -0.23 0.02 -0.06 0.70 0.00 0.00 175.22 175.77 1sxj s PHE 249 N -0.01 3.29 -0.25 0.36 0.40 0.48 -0.79 117.98 121.46 1sxj s PHE 249 Ca -0.06 -1.90 -0.08 0.00 -0.60 0.00 0.00 56.93 54.30 1sxj s PHE 249 Cb -0.14 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 1sxj s PHE 249 CO 0.04 -0.81 0.09 -1.17 0.70 0.00 0.00 175.22 174.07 1sxj s LEU 250 N 1.25 3.60 0.26 -0.37 0.20 -0.52 -0.21 118.68 122.90 1sxj s LEU 250 Ca -0.04 -0.13 -0.30 0.00 0.69 0.00 0.00 54.13 54.36 1sxj s LEU 250 Cb -0.20 -1.97 -0.09 0.00 -0.43 0.00 0.00 46.19 43.50 1sxj s LEU 250 CO -0.01 -0.01 1.04 0.00 -0.29 0.00 0.00 176.35 177.08 1sxj s ALA 251 N 1.46 3.38 1.09 5.97 0.00 -0.64 -0.28 121.76 132.74 1sxj s ALA 251 Ca 0.06 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.63 1sxj s ALA 251 Cb -0.15 -3.29 0.25 0.00 0.00 0.00 0.00 23.12 19.94 1sxj s ALA 251 CO 0.05 -0.03 1.26 -2.14 0.00 0.00 0.00 175.76 174.90 1sxj s PRO 252 N -1.32 -0.34 0.53 0.00 0.02 -1.26 -4.79 135.00 127.84 1sxj s PRO 252 Ca 0.43 -0.37 0.06 0.00 0.02 0.00 0.00 61.00 61.14 1sxj s PRO 252 Cb -0.30 -1.73 0.09 0.00 0.02 0.00 0.00 34.50 32.59 1sxj s PRO 252 CO 0.38 -3.07 0.73 1.63 -0.33 0.00 0.00 177.00 176.33 1sxj n LYS 253 N -4.24 0.46 -2.64 5.54 5.02 -0.59 -5.00 118.16 116.72 1sxj n LYS 253 Ca 0.16 -2.55 -0.34 0.00 -2.02 0.00 0.00 58.31 53.56 1sxj n LYS 253 Cb 0.59 -0.31 -0.05 0.00 -0.02 0.00 0.00 35.03 35.24 1sxj n LYS 253 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sxj s PHE 254 N -2.21 3.12 -2.32 2.13 0.08 -1.26 -4.89 117.98 112.63 1sxj s PHE 254 Ca 0.53 1.59 0.29 0.00 0.12 0.00 0.00 56.93 59.46 1sxj s PHE 254 Cb -0.04 -2.98 1.36 0.00 -0.57 0.00 0.00 43.02 40.79 1sxj s PHE 254 CO 0.34 -0.57 1.92 0.09 -0.10 0.00 0.00 175.22 176.91