#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxj n GLU 12 N 0.00 2.01 -2.54 -1.46 -0.58 -1.26 -4.83 120.64 111.98 1hxj n GLU 12 Ca 0.00 -1.54 -0.43 0.00 -0.42 0.00 0.00 57.16 54.77 1hxj n GLU 12 Cb 0.00 -1.41 -0.02 0.00 -0.57 0.00 0.00 31.44 29.44 1hxj n GLU 12 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1hxj s ILE 13 N -1.60 4.48 0.19 -3.67 1.01 -1.26 -4.90 121.20 115.45 1hxj s ILE 13 Ca 0.33 1.79 -0.31 0.00 0.00 0.00 0.00 60.65 62.46 1hxj s ILE 13 Cb 0.18 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 38.33 1hxj s ILE 13 CO 0.26 -0.16 0.87 -2.65 0.00 0.00 0.00 174.94 173.27 1hxj n PRO 14 N 6.44 0.61 -4.35 2.79 -0.02 -1.26 -5.02 135.00 134.20 1hxj n PRO 14 Ca 0.13 0.22 -0.26 0.00 -2.02 0.00 0.00 63.50 61.57 1hxj n PRO 14 Cb 0.45 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.31 1hxj n PRO 14 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1hxj s GLN 15 N -0.82 1.23 0.46 -0.52 -1.52 -1.26 -5.03 119.66 112.20 1hxj s GLN 15 Ca 0.69 -1.21 0.11 0.00 -1.95 0.00 0.00 55.36 53.00 1hxj s GLN 15 Cb -0.90 -1.56 1.03 0.00 -0.22 0.00 0.00 33.01 31.36 1hxj s GLN 15 CO 0.56 0.37 2.09 -0.09 -0.25 0.00 0.00 175.29 177.97 1hxj h ARG 16 N 4.07 0.32 0.00 2.91 9.65 -1.85 -0.55 114.38 128.92 1hxj h ARG 16 Ca -0.47 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1hxj h ARG 16 Cb 1.18 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1hxj h ARG 16 CO 0.40 0.21 0.00 -0.40 2.80 0.00 0.00 179.97 182.98 1hxj n ASP 17 N -4.50 0.00 0.20 -3.80 5.68 -1.14 -1.93 116.55 111.06 1hxj n ASP 17 Ca 0.01 -0.62 0.08 0.00 -0.50 0.00 0.00 54.79 53.76 1hxj n ASP 17 Cb 0.08 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.36 1hxj n ASP 17 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 1hxj h TRP 18 N 0.00 0.00 -3.22 2.11 4.06 -1.40 -3.45 115.95 114.04 1hxj h TRP 18 Ca 0.00 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.31 1hxj h TRP 18 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.02 1hxj h TRP 18 CO 0.00 0.27 -0.72 -0.06 -3.56 0.00 0.00 178.44 174.37 1hxj s PHE 19 N -3.38 2.71 0.80 0.49 0.40 -0.81 -5.01 117.98 113.19 1hxj s PHE 19 Ca 0.02 -0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 1hxj s PHE 19 Cb 0.09 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 42.24 1hxj s PHE 19 CO 0.67 0.48 0.47 -2.30 0.70 0.00 0.00 175.22 175.23 1hxj n PRO 20 N 0.29 0.10 -0.07 0.24 -0.02 -1.26 -4.86 135.00 129.42 1hxj n PRO 20 Ca -0.12 0.08 0.06 0.00 -2.02 0.00 0.00 63.50 61.50 1hxj n PRO 20 Cb 0.54 -1.83 0.42 0.00 -0.02 0.00 0.00 33.50 32.61 1hxj n PRO 20 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1hxj h SER 21 N -0.78 0.51 1.04 2.55 0.87 -1.95 -1.97 113.55 113.83 1hxj h SER 21 Ca -0.45 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1hxj h SER 21 Cb 1.33 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1hxj h SER 21 CO 0.39 0.35 -0.01 -0.67 -0.53 0.00 0.00 176.83 176.37 1hxj n ASP 22 N -4.47 0.08 -4.58 6.23 -0.08 -1.26 -4.91 116.55 107.56 1hxj n ASP 22 Ca 0.06 0.50 -0.37 0.00 -1.51 0.00 0.00 54.79 53.47 1hxj n ASP 22 Cb 0.16 -0.52 0.07 0.00 2.34 0.00 0.00 41.12 43.17 1hxj n ASP 22 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1hxj n PHE 23 N -1.57 0.43 -5.06 -0.67 7.35 -0.74 -5.00 117.46 112.19 1hxj n PHE 23 Ca 0.07 0.41 -0.32 0.00 -0.76 0.00 0.00 57.45 56.85 1hxj n PHE 23 Cb 0.35 -2.07 -0.15 0.00 0.35 0.00 0.00 39.48 37.95 1hxj n PHE 23 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1hxj s THR 24 N -1.68 2.49 -0.09 -2.13 2.01 -0.48 -5.00 115.64 110.76 1hxj s THR 24 Ca 0.74 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.86 1hxj s THR 24 Cb -0.39 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.17 1hxj s THR 24 CO 0.50 0.56 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.51 1hxj s PHE 25 N 0.00 1.58 0.00 4.92 0.08 -1.26 -0.48 117.98 122.83 1hxj s PHE 25 Ca -0.07 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1hxj s PHE 25 Cb -0.15 -1.19 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 1hxj s PHE 25 CO 0.05 -0.38 0.00 0.41 -0.10 0.00 0.00 175.22 175.20 1hxj n GLY 26 N 4.18 3.96 3.15 4.36 0.00 -0.26 0.10 105.19 120.68 1hxj n GLY 26 Ca -0.19 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 1hxj n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxj s ALA 27 N -1.51 0.84 0.05 4.61 0.00 -1.21 -1.94 121.76 122.60 1hxj s ALA 27 Ca 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.64 1hxj s ALA 27 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1hxj s ALA 27 CO 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 175.76 175.41 1hxj s ALA 28 N -3.76 0.49 0.34 0.00 0.00 -0.60 -1.00 121.76 117.23 1hxj s ALA 28 Ca 0.12 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 1hxj s ALA 28 Cb 0.06 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1hxj s ALA 28 CO -0.05 -0.18 0.53 0.95 0.00 0.00 0.00 175.76 177.01 1hxj s THR 29 N -2.36 0.00 0.05 0.00 -4.23 -0.15 -0.48 115.64 108.47 1hxj s THR 29 Ca -0.04 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1hxj s THR 29 Cb -0.03 -2.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 1hxj s THR 29 CO -0.03 0.00 -0.07 -0.94 -0.54 0.00 0.00 174.62 173.04 1hxj s SER 30 N -3.17 0.82 0.08 3.99 1.04 -1.26 -3.77 113.70 111.43 1hxj s SER 30 Ca 0.26 -0.68 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 1hxj s SER 30 Cb -0.01 0.07 -0.11 0.00 0.10 0.00 0.00 66.02 66.07 1hxj s SER 30 CO 0.17 -0.30 1.42 0.00 0.98 0.00 0.00 173.24 175.50 1hxj h ALA 31 N 4.07 -0.89 -0.04 5.32 0.00 -1.90 -2.66 119.26 123.17 1hxj h ALA 31 Ca -0.35 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1hxj h ALA 31 Cb 1.19 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 1hxj h ALA 31 CO 0.48 -0.99 0.03 -0.92 0.00 0.00 0.00 179.25 177.85 1hxj h TYR 32 N -0.57 0.05 -0.02 0.00 3.20 -1.94 -0.90 116.97 116.80 1hxj h TYR 32 Ca -0.00 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 1hxj h TYR 32 Cb 0.57 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1hxj h TYR 32 CO -0.42 0.03 -0.66 1.96 -1.64 0.00 0.00 178.16 177.43 1hxj h GLN 33 N 0.06 0.08 0.00 1.82 4.20 -1.77 -3.40 115.11 116.10 1hxj h GLN 33 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1hxj h GLN 33 Cb -0.01 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1hxj h GLN 33 CO -0.00 0.71 -0.92 0.44 -0.67 0.00 0.00 178.83 178.38 1hxj n ILE 34 N -3.78 0.00 0.12 2.54 -5.35 -1.02 -2.16 119.36 109.70 1hxj n ILE 34 Ca -0.02 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.33 1hxj n ILE 34 Cb 0.65 -0.40 -0.07 0.00 -1.74 0.00 0.00 39.64 38.08 1hxj n ILE 34 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1hxj h GLU 35 N 0.00 -0.27 0.00 6.28 5.08 -1.39 -0.34 114.58 123.94 1hxj h GLU 35 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1hxj h GLU 35 Cb 0.58 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1hxj h GLU 35 CO 0.00 -0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.24 1hxj n GLY 36 N -1.23 -0.58 4.37 -3.84 0.00 -1.17 -1.36 105.19 101.39 1hxj n GLY 36 Ca -0.08 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 1hxj n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxj n ALA 37 N 4.18 -1.70 0.01 4.61 0.00 -1.03 -4.78 120.51 121.80 1hxj n ALA 37 Ca 0.00 -0.34 0.17 0.00 0.00 0.00 0.00 53.44 53.27 1hxj n ALA 37 Cb 0.00 -1.41 0.65 0.00 0.00 0.00 0.00 19.45 18.69 1hxj n ALA 37 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1hxj h TRP 38 N -1.42 0.09 0.00 0.00 5.08 -1.85 -2.74 115.95 115.11 1hxj h TRP 38 Ca -0.63 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.31 1hxj h TRP 38 Cb 1.38 -0.03 -0.07 0.00 -3.00 0.00 0.00 29.16 27.44 1hxj h TRP 38 CO 0.58 0.04 -0.44 0.27 -1.28 0.00 0.00 178.44 177.61 1hxj n ASN 39 N -4.42 1.29 -4.87 0.11 2.04 -1.26 -4.69 115.26 103.47 1hxj n ASN 39 Ca 0.08 -2.75 -0.32 0.00 -0.44 0.00 0.00 54.58 51.16 1hxj n ASN 39 Cb 0.51 -0.36 -0.05 0.00 -2.53 0.00 0.00 39.78 37.34 1hxj n ASN 39 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1hxj s GLU 40 N -1.60 3.84 -1.43 -3.83 2.02 -1.04 -4.42 118.70 112.24 1hxj s GLU 40 Ca 0.25 0.37 -0.01 0.00 0.02 0.00 0.00 54.97 55.60 1hxj s GLU 40 Cb 0.24 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.91 1hxj s GLU 40 CO -0.04 0.24 0.41 -0.25 0.02 0.00 0.00 175.26 175.64 1hxj n ASP 41 N -0.35 -0.38 0.00 -0.19 8.00 -1.26 -2.04 116.55 120.32 1hxj n ASP 41 Ca 0.01 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1hxj n ASP 41 Cb 0.53 -2.94 0.00 0.00 -0.02 0.00 0.00 41.12 38.69 1hxj n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hxj n GLY 42 N -2.00 1.25 3.71 0.44 0.00 -1.26 -4.70 105.19 102.64 1hxj n GLY 42 Ca -0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1hxj n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hxj n LYS 43 N -2.00 2.47 -2.47 1.61 4.81 -0.87 -4.71 118.16 117.00 1hxj n LYS 43 Ca 0.00 0.88 -0.27 0.00 -0.87 0.00 0.00 58.31 58.05 1hxj n LYS 43 Cb 0.00 -2.63 0.01 0.00 0.02 0.00 0.00 35.03 32.43 1hxj n LYS 43 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1hxj s GLY 44 N 0.57 1.55 0.36 3.14 0.00 -0.20 -4.61 107.32 108.13 1hxj s GLY 44 Ca 0.68 -0.54 -0.27 0.00 0.00 0.00 0.00 44.72 44.59 1hxj s GLY 44 CO 0.46 -0.33 1.21 1.85 0.00 0.00 0.00 173.10 176.29 1hxj s GLU 45 N -4.88 4.23 0.41 2.90 2.12 -1.26 -4.63 118.70 117.58 1hxj s GLU 45 Ca 0.51 1.98 0.08 0.00 0.36 0.00 0.00 54.97 57.89 1hxj s GLU 45 Cb -0.10 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1hxj s GLU 45 CO 0.46 -0.21 0.27 -1.54 -0.54 0.00 0.00 175.26 173.70 1hxj s SER 46 N -0.85 4.75 0.43 -1.70 1.04 -1.26 -0.37 113.70 115.74 1hxj s SER 46 Ca 0.52 -0.89 0.12 0.00 0.48 0.00 0.00 55.95 56.19 1hxj s SER 46 Cb -0.34 -0.56 1.00 0.00 0.10 0.00 0.00 66.02 66.22 1hxj s SER 46 CO 0.44 -0.57 2.00 -0.55 0.98 0.00 0.00 173.24 175.55 1hxj h ASN 47 N 1.25 0.38 0.58 7.02 -1.07 -0.18 -1.62 115.58 121.95 1hxj h ASN 47 Ca -0.42 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 55.71 1hxj h ASN 47 Cb 1.26 -0.08 -0.00 0.00 -2.07 0.00 0.00 38.32 37.43 1hxj h ASN 47 CO 0.63 0.24 -1.06 -0.50 0.07 0.00 0.00 177.43 176.82 1hxj h TRP 48 N 0.43 0.43 -0.02 4.14 4.06 -1.87 -0.97 115.95 122.15 1hxj h TRP 48 Ca 0.24 -0.27 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1hxj h TRP 48 Cb 0.39 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1hxj h TRP 48 CO -0.00 1.15 -0.01 -0.44 -3.56 0.00 0.00 178.44 175.58 1hxj h ASP 49 N 0.11 -0.02 -0.10 -3.49 3.32 -1.79 -1.40 116.42 113.05 1hxj h ASP 49 Ca -0.09 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.00 1hxj h ASP 49 Cb 1.74 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 41.27 1hxj h ASP 49 CO 0.17 -0.01 -0.09 -0.74 -1.72 0.00 0.00 179.24 176.85 1hxj h HIS 50 N -0.00 -0.23 -0.15 4.55 2.76 -1.31 -1.06 115.15 119.70 1hxj h HIS 50 Ca 0.01 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1hxj h HIS 50 Cb 0.02 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1hxj h HIS 50 CO -0.09 -0.14 0.08 0.35 -1.30 0.00 0.00 177.93 176.82 1hxj h PHE 51 N -0.11 0.21 -0.59 5.26 3.57 -1.06 -0.33 116.94 123.89 1hxj h PHE 51 Ca 0.07 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1hxj h PHE 51 Cb 0.22 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1hxj h PHE 51 CO -0.21 0.22 -0.02 0.00 -2.23 0.00 0.00 178.31 176.07 1hxj h HIS 53 N 0.95 0.61 0.16 0.00 3.86 -1.12 -3.06 115.15 116.55 1hxj h HIS 53 Ca 0.17 -0.21 -0.31 0.00 -1.16 0.00 0.00 60.37 58.86 1hxj h HIS 53 Cb 0.58 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.94 1hxj h HIS 53 CO 0.04 0.91 -1.43 -0.91 0.86 0.00 0.00 177.93 177.40 1hxj h ASN 54 N 0.38 0.54 -2.21 2.45 -0.26 -0.92 -3.41 115.58 112.15 1hxj h ASN 54 Ca 0.01 -0.63 -0.58 0.00 -0.56 0.00 0.00 56.30 54.54 1hxj h ASN 54 Cb 1.04 -0.17 -0.40 0.00 -1.06 0.00 0.00 38.32 37.72 1hxj h ASN 54 CO 0.09 1.51 -0.83 1.41 -1.06 0.00 0.00 177.43 178.55 1hxj n HIS 55 N -3.56 1.59 0.28 1.19 8.25 0.89 -4.90 115.22 118.96 1hxj n HIS 55 Ca -0.14 -3.86 0.12 0.00 -0.26 0.00 0.00 57.72 53.59 1hxj n HIS 55 Cb 1.05 -0.41 0.80 0.00 1.12 0.00 0.00 29.99 32.56 1hxj n HIS 55 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1hxj h PRO 56 N 4.34 0.00 0.00 -0.41 0.11 -1.75 -0.71 132.00 133.58 1hxj h PRO 56 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1hxj h PRO 56 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1hxj h PRO 56 CO 0.63 0.03 0.00 -0.85 -0.21 0.00 0.00 178.00 177.60 1hxj n GLU 57 N -4.03 0.04 -0.07 1.05 0.00 -1.26 -1.86 120.64 114.51 1hxj n GLU 57 Ca -0.03 0.19 0.12 0.00 0.00 0.00 0.00 57.16 57.44 1hxj n GLU 57 Cb 0.11 -1.50 0.30 0.00 0.00 0.00 0.00 31.44 30.36 1hxj n GLU 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1hxj n ARG 58 N -1.46 2.05 -4.40 3.44 5.12 -0.27 -4.77 116.66 116.37 1hxj n ARG 58 Ca 0.05 -1.56 -0.34 0.00 -1.93 0.00 0.00 57.85 54.07 1hxj n ARG 58 Cb 0.19 -1.46 -0.14 0.00 -1.16 0.00 0.00 32.46 29.90 1hxj n ARG 58 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1hxj s ILE 59 N -1.82 3.39 0.27 0.55 -1.09 -0.78 -4.79 121.20 116.94 1hxj s ILE 59 Ca 0.34 -0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 58.16 1hxj s ILE 59 Cb 0.20 -2.48 0.43 0.00 -1.58 0.00 0.00 42.46 39.04 1hxj s ILE 59 CO 0.30 0.48 1.57 0.25 -1.23 0.00 0.00 174.94 176.31 1hxj h LEU 60 N 7.14 -0.87 -3.16 2.97 6.46 -0.80 0.15 115.31 127.20 1hxj h LEU 60 Ca -0.32 0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1hxj h LEU 60 Cb 1.19 0.59 0.00 0.00 -0.73 0.00 0.00 40.66 41.71 1hxj h LEU 60 CO 0.59 -0.32 0.00 -0.90 -0.62 0.00 0.00 178.44 177.19 1hxj n ASP 61 N -5.60 4.38 -1.51 1.25 5.75 -1.26 -4.95 116.55 114.61 1hxj n ASP 61 Ca 0.16 -2.53 -0.18 0.00 -0.01 0.00 0.00 54.79 52.22 1hxj n ASP 61 Cb 0.50 -0.52 -0.07 0.00 -1.03 0.00 0.00 41.12 39.99 1hxj n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hxj n GLY 62 N 0.65 1.51 3.54 6.12 0.00 0.51 -4.99 105.19 112.54 1hxj n GLY 62 Ca 0.23 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1hxj n GLY 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hxj n SER 63 N -1.05 1.33 -3.59 1.61 3.41 -1.26 -4.87 113.62 109.19 1hxj n SER 63 Ca -0.19 -2.09 -0.13 0.00 -0.26 0.00 0.00 58.87 56.20 1hxj n SER 63 Cb 0.61 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1hxj n SER 63 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hxj s ASN 64 N -4.65 0.53 -0.57 4.04 6.03 -1.26 -4.88 114.94 114.18 1hxj s ASN 64 Ca 0.60 -1.31 0.01 0.00 -1.03 0.00 0.00 52.86 51.12 1hxj s ASN 64 Cb -0.04 0.60 0.44 0.00 -3.03 0.00 0.00 41.25 39.23 1hxj s ASN 64 CO 0.39 -1.19 1.74 -0.24 -2.03 0.00 0.00 177.10 175.77 1hxj n SER 65 N -0.96 6.71 0.06 3.54 2.88 -1.26 -4.63 113.62 119.96 1hxj n SER 65 Ca 0.00 -3.78 0.05 0.00 -1.33 0.00 0.00 58.87 53.81 1hxj n SER 65 Cb 0.62 -0.77 0.47 0.00 -0.75 0.00 0.00 64.21 63.77 1hxj n SER 65 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1hxj h ASP 66 N 2.21 0.36 0.00 -3.46 5.19 -1.94 -3.32 116.42 115.47 1hxj h ASP 66 Ca 0.52 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.81 1hxj h ASP 66 Cb 0.93 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 1hxj h ASP 66 CO 1.29 0.27 -1.38 -0.38 -3.12 0.00 0.00 179.24 175.92 1hxj n ILE 67 N -4.48 0.39 0.00 0.35 5.41 -1.26 -2.48 119.36 117.28 1hxj n ILE 67 Ca 0.02 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1hxj n ILE 67 Cb 0.07 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 1hxj n ILE 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hxj n GLY 68 N 3.08 2.64 0.54 7.39 0.00 -1.25 0.82 105.19 118.42 1hxj n GLY 68 Ca -0.12 0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1hxj n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxj n ALA 69 N 11.10 2.16 -4.15 4.61 0.00 -0.27 -4.88 120.51 129.08 1hxj n ALA 69 Ca 0.00 -1.13 -0.34 0.00 0.00 0.00 0.00 53.44 51.97 1hxj n ALA 69 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 1hxj n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1hxj n ASN 70 N 0.35 -2.98 0.07 0.00 4.05 0.24 -4.83 115.26 112.16 1hxj n ASN 70 Ca 0.10 -0.99 0.11 0.00 0.45 0.00 0.00 54.58 54.25 1hxj n ASN 70 Cb 0.40 -2.92 0.44 0.00 1.23 0.00 0.00 39.78 38.94 1hxj n ASN 70 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1hxj n SER 71 N -2.73 0.40 0.05 1.20 7.64 -0.43 -1.49 113.62 118.26 1hxj n SER 71 Ca 0.01 0.58 0.01 0.00 1.01 0.00 0.00 58.87 60.47 1hxj n SER 71 Cb 0.53 -0.67 0.32 0.00 -1.01 0.00 0.00 64.21 63.38 1hxj n SER 71 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1hxj h TYR 72 N 0.00 0.43 0.00 1.43 3.20 -1.46 -1.17 116.97 119.40 1hxj h TYR 72 Ca 0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1hxj h TYR 72 Cb 0.42 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1hxj h TYR 72 CO 0.00 0.49 -1.47 0.72 -1.64 0.00 0.00 178.16 176.26 1hxj n HIS 73 N -4.26 0.00 -0.60 -3.82 8.25 -1.06 -4.60 115.22 109.13 1hxj n HIS 73 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1hxj n HIS 73 Cb 0.27 -0.27 0.18 0.00 1.12 0.00 0.00 29.99 31.29 1hxj n HIS 73 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1hxj n MET 74 N -1.87 2.74 0.02 -0.41 2.81 -0.56 -4.72 117.12 115.12 1hxj n MET 74 Ca -0.01 -2.39 0.20 0.00 -1.81 0.00 0.00 57.70 53.69 1hxj n MET 74 Cb 0.38 -1.51 0.69 0.00 -0.71 0.00 0.00 33.22 32.07 1hxj n MET 74 CO 0.00 0.00 0.00 0.10 1.51 0.00 0.00 175.97 177.58 1hxj h TYR 75 N 1.50 0.00 -0.10 2.03 -0.00 -1.46 -0.53 116.97 118.40 1hxj h TYR 75 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 1hxj h TYR 75 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.76 1hxj h TYR 75 CO 0.29 0.00 -0.13 0.87 -0.00 0.00 0.00 178.16 179.19 1hxj h LYS 76 N 0.00 0.15 -0.05 0.10 1.57 -1.87 0.87 116.57 117.34 1hxj h LYS 76 Ca 0.24 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.77 1hxj h LYS 76 Cb 0.97 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1hxj h LYS 76 CO -0.00 0.29 -0.87 1.15 -0.57 0.00 0.00 179.45 179.45 1hxj h THR 77 N 0.14 1.35 -0.42 -0.16 2.02 -1.48 -1.92 112.91 112.45 1hxj h THR 77 Ca 0.03 -2.24 0.02 0.00 0.77 0.00 0.00 66.41 64.99 1hxj h THR 77 Cb 0.33 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 1hxj h THR 77 CO 0.02 0.68 0.25 0.44 0.37 0.00 0.00 175.52 177.28 1hxj h ASP 78 N 0.33 0.40 -0.34 4.18 3.32 -0.94 -1.46 116.42 121.91 1hxj h ASP 78 Ca -0.07 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 1hxj h ASP 78 Cb 1.49 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 1hxj h ASP 78 CO 0.16 0.29 -0.14 0.58 -1.72 0.00 0.00 179.24 178.41 1hxj h VAL 79 N 0.50 1.26 -0.42 -1.35 2.07 -0.84 -1.90 116.25 115.57 1hxj h VAL 79 Ca 0.16 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1hxj h VAL 79 Cb 0.01 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1hxj h VAL 79 CO -0.07 0.41 0.18 -0.09 0.02 0.00 0.00 177.57 178.02 1hxj h ARG 80 N 0.71 0.62 -0.54 1.57 2.43 -0.88 -0.55 114.38 117.74 1hxj h ARG 80 Ca 0.11 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1hxj h ARG 80 Cb 0.63 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1hxj h ARG 80 CO 0.04 0.56 0.10 -0.07 -1.51 0.00 0.00 179.97 179.09 1hxj h LEU 81 N 0.54 0.86 -0.79 3.80 3.38 -1.17 0.14 115.31 122.06 1hxj h LEU 81 Ca 0.14 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1hxj h LEU 81 Cb 0.16 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1hxj h LEU 81 CO -0.01 0.89 0.48 -0.07 0.09 0.00 0.00 178.44 179.82 1hxj h LEU 82 N 0.78 0.75 -0.12 1.67 3.38 -1.12 -0.15 115.31 120.50 1hxj h LEU 82 Ca 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1hxj h LEU 82 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1hxj h LEU 82 CO 0.01 0.48 0.03 0.50 0.09 0.00 0.00 178.44 179.55 1hxj h LYS 83 N 0.88 0.20 -0.91 1.13 1.63 -0.46 -2.41 116.57 116.63 1hxj h LYS 83 Ca 0.34 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 60.15 1hxj h LYS 83 Cb 0.16 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.70 1hxj h LYS 83 CO -0.17 0.35 0.60 0.93 -3.45 0.00 0.00 179.45 177.71 1hxj h GLU 84 N 0.00 1.05 0.00 1.90 5.08 -0.18 -0.58 114.58 121.86 1hxj h GLU 84 Ca 0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1hxj h GLU 84 Cb 0.24 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1hxj h GLU 84 CO -0.00 0.69 0.00 -1.33 -1.00 0.00 0.00 179.01 177.37 1hxj n MET 85 N -4.47 0.17 -2.32 2.33 2.81 -0.12 -4.90 117.12 110.62 1hxj n MET 85 Ca 0.13 0.09 -0.11 0.00 -1.81 0.00 0.00 57.70 55.99 1hxj n MET 85 Cb 0.16 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 1hxj n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hxj n GLY 86 N 0.77 -0.07 3.77 3.03 0.00 -0.22 -3.94 105.19 108.52 1hxj n GLY 86 Ca 0.08 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1hxj n GLY 86 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hxj s MET 87 N -4.70 4.24 0.20 1.61 -1.94 -0.94 -4.82 119.30 112.95 1hxj s MET 87 Ca 0.04 2.12 0.12 0.00 -1.71 0.00 0.00 55.69 56.26 1hxj s MET 87 Cb -0.02 -2.95 -0.05 0.00 2.01 0.00 0.00 34.83 33.82 1hxj s MET 87 CO 0.05 -0.25 1.32 -0.44 -0.01 0.00 0.00 175.02 175.68 1hxj h ASP 88 N 3.13 0.00 -5.30 3.03 3.32 -0.68 -3.44 116.42 116.48 1hxj h ASP 88 Ca -0.49 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 1hxj h ASP 88 Cb 1.23 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.68 1hxj h ASP 88 CO 0.64 0.70 -0.22 0.00 -1.72 0.00 0.00 179.24 178.64 1hxj s ALA 89 N -2.86 0.02 -0.06 3.45 0.00 -1.10 -1.21 121.76 119.99 1hxj s ALA 89 Ca 0.02 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 1hxj s ALA 89 Cb 0.08 1.11 0.04 0.00 0.00 0.00 0.00 23.12 24.35 1hxj s ALA 89 CO 0.78 -0.79 0.12 -0.47 0.00 0.00 0.00 175.76 175.40 1hxj s TYR 90 N -4.04 -0.08 -0.25 0.00 5.04 -0.35 -3.32 117.35 114.36 1hxj s TYR 90 Ca 0.25 0.45 -0.10 0.00 -2.44 0.00 0.00 57.07 55.22 1hxj s TYR 90 Cb 0.01 -0.32 -0.05 0.00 0.35 0.00 0.00 41.96 41.95 1hxj s TYR 90 CO 0.09 -0.22 0.15 0.50 -1.34 0.00 0.00 175.55 174.72 1hxj s ARG 91 N 2.07 3.99 0.19 4.97 3.52 -0.17 -1.23 118.95 132.29 1hxj s ARG 91 Ca 0.02 -0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.26 1hxj s ARG 91 Cb -0.12 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1hxj s ARG 91 CO -0.05 -0.00 0.20 -0.59 -0.81 0.00 0.00 175.30 174.06 1hxj s PHE 92 N 1.22 0.83 0.31 5.12 -0.12 -1.00 -0.98 117.98 123.36 1hxj s PHE 92 Ca 0.07 -1.13 0.10 0.00 -0.05 0.00 0.00 56.93 55.93 1hxj s PHE 92 Cb -0.14 -0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 41.87 1hxj s PHE 92 CO 0.06 -0.69 -0.11 -1.54 -0.05 0.00 0.00 175.22 172.88 1hxj s SER 93 N -3.08 3.86 -0.17 1.98 1.04 -1.25 -0.80 113.70 115.28 1hxj s SER 93 Ca 0.29 -1.02 -0.07 0.00 0.48 0.00 0.00 55.95 55.63 1hxj s SER 93 Cb 0.05 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 1hxj s SER 93 CO 0.07 -0.08 0.06 -0.63 0.98 0.00 0.00 173.24 173.64 1hxj s ILE 94 N -2.52 4.75 -0.47 -1.02 1.01 -0.62 -4.14 121.20 118.19 1hxj s ILE 94 Ca 0.32 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.63 1hxj s ILE 94 Cb -0.02 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.33 1hxj s ILE 94 CO 0.17 0.47 1.34 -0.55 0.00 0.00 0.00 174.94 176.38 1hxj s SER 95 N 0.26 6.36 0.16 3.58 0.15 -1.26 -4.68 113.70 118.26 1hxj s SER 95 Ca 0.04 0.59 -0.23 0.00 0.70 0.00 0.00 55.95 57.05 1hxj s SER 95 Cb -0.12 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.69 1hxj s SER 95 CO 0.00 -1.46 1.61 -0.25 1.20 0.00 0.00 173.24 174.35 1hxj h TRP 96 N 10.42 -0.78 0.00 3.44 2.91 -1.83 -1.06 115.95 129.04 1hxj h TRP 96 Ca -0.26 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1hxj h TRP 96 Cb 1.09 0.39 0.00 0.00 -0.51 0.00 0.00 29.16 30.13 1hxj h TRP 96 CO 0.99 -0.36 0.00 -0.35 -1.03 0.00 0.00 178.44 177.69 1hxj n PRO 97 N -5.40 0.18 0.06 2.65 -0.04 -1.26 -0.71 135.00 130.48 1hxj n PRO 97 Ca 0.00 0.44 -0.07 0.00 -0.04 0.00 0.00 63.50 63.84 1hxj n PRO 97 Cb 0.32 -1.86 -0.11 0.00 -0.04 0.00 0.00 33.50 31.80 1hxj n PRO 97 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1hxj h ARG 98 N 0.00 0.00 0.08 0.54 2.43 -1.47 -0.46 114.38 115.50 1hxj h ARG 98 Ca 0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 1hxj h ARG 98 Cb 0.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1hxj h ARG 98 CO 0.00 0.93 -1.09 0.82 -1.51 0.00 0.00 179.97 179.12 1hxj h ILE 99 N 0.00 1.19 -3.04 1.20 1.08 -0.91 -3.37 117.51 113.67 1hxj h ILE 99 Ca -0.03 -2.37 -0.62 0.00 -0.39 0.00 0.00 64.86 61.45 1hxj h ILE 99 Cb 1.77 2.80 -0.40 0.00 -3.07 0.00 0.00 36.82 37.92 1hxj h ILE 99 CO 0.12 0.63 -0.72 -0.76 -0.69 0.00 0.00 178.15 176.73 1hxj s LEU 100 N -7.75 3.10 0.49 1.44 1.43 0.12 -0.29 118.68 117.21 1hxj s LEU 100 Ca -0.20 -2.82 0.29 0.00 -1.03 0.00 0.00 54.13 50.37 1hxj s LEU 100 Cb 0.03 -1.16 1.38 0.00 0.03 0.00 0.00 46.19 46.46 1hxj s LEU 100 CO 0.73 -0.24 1.80 -0.65 0.23 0.00 0.00 176.35 178.22 1hxj h PRO 101 N 6.52 0.14 -0.46 1.29 0.11 -1.70 0.35 132.00 138.26 1hxj h PRO 101 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1hxj h PRO 101 Cb 0.91 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1hxj h PRO 101 CO 0.53 0.09 0.00 1.63 -0.21 0.00 0.00 178.00 180.05 1hxj n LYS 102 N -4.36 2.56 -0.72 1.05 5.02 -1.26 -4.42 118.16 116.02 1hxj n LYS 102 Ca 0.25 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.31 1hxj n LYS 102 Cb 1.08 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 1hxj n LYS 102 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hxj n GLY 103 N 1.10 0.44 3.45 0.72 0.00 0.12 -4.49 105.19 106.53 1hxj n GLY 103 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1hxj n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hxj s THR 104 N -2.32 1.40 0.21 2.61 -4.23 -1.26 -4.86 115.64 107.19 1hxj s THR 104 Ca 0.00 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.42 1hxj s THR 104 Cb 0.00 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1hxj s THR 104 CO 0.00 -0.12 1.62 0.50 -0.54 0.00 0.00 174.62 176.08 1hxj h LYS 105 N 2.16 0.81 -0.68 3.99 3.64 -1.93 -2.82 116.57 121.75 1hxj h LYS 105 Ca -0.41 -0.33 0.04 0.00 -1.27 0.00 0.00 60.65 58.69 1hxj h LYS 105 Cb 1.24 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1hxj h LYS 105 CO 0.70 0.95 0.41 1.49 -2.27 0.00 0.00 179.45 180.72 1hxj h GLU 106 N 0.71 0.76 0.00 1.90 4.81 -1.97 -1.97 114.58 118.82 1hxj h GLU 106 Ca 0.10 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1hxj h GLU 106 Cb 0.74 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1hxj h GLU 106 CO 0.06 0.50 -0.09 0.78 -0.73 0.00 0.00 179.01 179.53 1hxj h GLY 107 N 0.78 0.00 0.00 1.92 0.00 -1.83 -3.49 103.07 100.45 1hxj h GLY 107 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1hxj h GLY 107 CO -0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.02 1hxj n GLY 108 N -0.96 0.78 3.81 4.60 0.00 -0.74 -4.79 105.19 107.89 1hxj n GLY 108 Ca -0.02 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 1hxj n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hxj s ILE 109 N -2.80 4.75 -0.44 -0.61 1.01 -1.26 -4.29 121.20 117.57 1hxj s ILE 109 Ca 0.00 1.17 -0.20 0.00 0.00 0.00 0.00 60.65 61.62 1hxj s ILE 109 Cb 0.00 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.62 1hxj s ILE 109 CO 0.00 0.52 0.60 0.21 0.00 0.00 0.00 174.94 176.26 1hxj s ASN 110 N -1.19 6.29 0.23 3.58 2.47 0.60 -4.97 114.94 121.95 1hxj s ASN 110 Ca 0.30 -0.43 -0.08 0.00 0.42 0.00 0.00 52.86 53.07 1hxj s ASN 110 Cb -0.19 -2.30 0.37 0.00 -1.45 0.00 0.00 41.25 37.68 1hxj s ASN 110 CO 0.19 -0.74 1.68 -0.65 -3.72 0.00 0.00 177.10 173.86 1hxj h PRO 111 N 8.85 0.22 -0.23 0.43 0.11 -1.91 -1.08 132.00 138.39 1hxj h PRO 111 Ca -0.26 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1hxj h PRO 111 Cb 1.10 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1hxj h PRO 111 CO 0.87 0.15 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.36 1hxj h ASP 112 N 0.23 0.32 -0.03 -2.05 3.45 -1.92 -0.19 116.42 116.22 1hxj h ASP 112 Ca 0.36 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.77 1hxj h ASP 112 Cb 0.59 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.28 1hxj h ASP 112 CO -0.49 0.39 -0.02 1.23 -1.57 0.00 0.00 179.24 178.78 1hxj h GLY 113 N 0.66 0.08 0.80 2.75 0.00 -1.38 -1.46 103.07 104.52 1hxj h GLY 113 Ca 0.08 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1hxj h GLY 113 CO 0.01 0.06 0.27 -2.22 0.00 0.00 0.00 176.54 174.66 1hxj h ILE 114 N -0.35 1.00 -0.47 2.60 1.08 -1.09 -2.68 117.51 117.61 1hxj h ILE 114 Ca 0.01 -0.18 -0.07 0.00 -0.39 0.00 0.00 64.86 64.22 1hxj h ILE 114 Cb 0.47 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1hxj h ILE 114 CO 0.01 0.10 -0.02 0.11 -0.69 0.00 0.00 178.15 177.66 1hxj h LYS 115 N 0.53 0.78 0.53 2.37 1.57 -1.04 -0.83 116.57 120.48 1hxj h LYS 115 Ca 0.21 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1hxj h LYS 115 Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1hxj h LYS 115 CO -0.12 0.80 -0.31 -0.92 -0.57 0.00 0.00 179.45 178.32 1hxj h TYR 116 N 0.72 -0.82 -0.32 -1.35 3.20 -0.93 0.34 116.97 117.81 1hxj h TYR 116 Ca 0.14 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 1hxj h TYR 116 Cb 0.46 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1hxj h TYR 116 CO 0.02 -0.48 -0.03 1.88 -1.64 0.00 0.00 178.16 177.92 1hxj h TYR 117 N -0.79 0.52 -0.55 -3.82 0.05 -1.45 -1.69 116.97 109.24 1hxj h TYR 117 Ca -0.06 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 1hxj h TYR 117 Cb 0.64 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 1hxj h TYR 117 CO -0.09 0.53 0.16 -0.09 -1.05 0.00 0.00 178.16 177.63 1hxj h ARG 118 N 0.48 0.86 -0.56 4.88 9.65 -0.88 -0.41 114.38 128.39 1hxj h ARG 118 Ca 0.10 -0.19 -0.06 0.00 -1.10 0.00 0.00 59.98 58.74 1hxj h ARG 118 Cb 0.35 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1hxj h ARG 118 CO 0.01 0.79 0.13 -0.91 2.80 0.00 0.00 179.97 182.79 1hxj h ASN 119 N 0.76 0.86 -0.02 -3.80 2.35 -0.49 -1.53 115.58 113.71 1hxj h ASN 119 Ca 0.18 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1hxj h ASN 119 Cb 0.29 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1hxj h ASN 119 CO -0.00 0.88 0.01 0.25 -1.65 0.00 0.00 177.43 176.91 1hxj h LEU 120 N 0.81 0.03 -0.28 1.61 5.85 -1.07 -0.98 115.31 121.27 1hxj h LEU 120 Ca 0.18 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1hxj h LEU 120 Cb 0.36 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1hxj h LEU 120 CO 0.00 0.20 0.13 0.40 -0.34 0.00 0.00 178.44 178.83 1hxj h ILE 121 N -0.15 0.97 -0.73 4.05 2.04 -1.04 -0.68 117.51 121.96 1hxj h ILE 121 Ca 0.01 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1hxj h ILE 121 Cb 0.19 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1hxj h ILE 121 CO -0.00 0.05 0.28 0.78 0.00 0.00 0.00 178.15 179.26 1hxj h ASN 122 N 0.27 1.02 -0.62 1.72 2.35 -1.22 -1.76 115.58 117.34 1hxj h ASN 122 Ca 0.12 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1hxj h ASN 122 Cb 0.06 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1hxj h ASN 122 CO -0.10 0.92 0.11 0.25 -1.65 0.00 0.00 177.43 176.97 1hxj h LEU 123 N 1.06 0.99 0.11 1.61 5.85 -0.85 -0.55 115.31 123.53 1hxj h LEU 123 Ca 0.24 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1hxj h LEU 123 Cb 0.23 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1hxj h LEU 123 CO -0.02 0.98 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.94 1hxj h LEU 124 N 0.98 -0.13 -0.67 2.25 3.38 -0.81 -2.37 115.31 117.94 1hxj h LEU 124 Ca 0.20 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1hxj h LEU 124 Cb 0.41 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1hxj h LEU 124 CO 0.01 -0.03 0.31 -0.07 0.09 0.00 0.00 178.44 178.75 1hxj h LEU 125 N -0.22 0.89 -1.16 1.67 3.38 -1.18 0.19 115.31 118.86 1hxj h LEU 125 Ca -0.02 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1hxj h LEU 125 Cb 0.18 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1hxj h LEU 125 CO 0.03 0.78 0.58 -0.08 0.09 0.00 0.00 178.44 179.84 1hxj h GLU 126 N 0.93 0.97 -0.12 1.13 4.57 -1.02 0.15 114.58 121.20 1hxj h GLU 126 Ca 0.23 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1hxj h GLU 126 Cb 0.14 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1hxj h GLU 126 CO -0.03 0.64 0.00 0.09 -1.18 0.00 0.00 179.01 178.54 1hxj n ASN 127 N -4.49 0.80 -0.62 1.04 3.02 -0.86 -4.90 115.26 109.25 1hxj n ASN 127 Ca 0.14 -1.77 -0.07 0.00 -0.03 0.00 0.00 54.58 52.85 1hxj n ASN 127 Cb 0.21 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1hxj n ASN 127 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hxj n GLY 128 N 0.85 0.55 3.45 7.41 0.00 0.54 -4.99 105.19 113.00 1hxj n GLY 128 Ca 0.10 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1hxj n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hxj s ILE 129 N -2.28 3.96 -0.10 -0.61 1.01 0.60 -4.88 121.20 118.91 1hxj s ILE 129 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 60.65 60.07 1hxj s ILE 129 Cb 0.00 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1hxj s ILE 129 CO 0.00 0.43 0.87 -0.70 0.00 0.00 0.00 174.94 175.55 1hxj s GLU 130 N 0.95 4.41 0.07 2.79 2.56 -0.35 -3.14 118.70 125.98 1hxj s GLU 130 Ca 0.01 1.16 -0.30 0.00 0.00 0.00 0.00 54.97 55.84 1hxj s GLU 130 Cb -0.14 -3.51 -0.05 0.00 2.00 0.00 0.00 34.13 32.42 1hxj s GLU 130 CO 0.02 -0.18 0.96 -2.14 -0.56 0.00 0.00 175.26 173.36 1hxj s PRO 131 N 1.58 4.64 -0.35 4.30 0.02 -1.26 -1.21 135.00 142.72 1hxj s PRO 131 Ca 0.43 1.42 0.03 0.00 0.02 0.00 0.00 61.00 62.90 1hxj s PRO 131 Cb -0.18 -3.41 0.10 0.00 0.02 0.00 0.00 34.50 31.03 1hxj s PRO 131 CO 0.18 0.12 0.07 0.71 -0.33 0.00 0.00 177.00 177.75 1hxj s TYR 132 N 0.37 3.70 -0.23 6.54 1.51 -0.37 -4.11 117.35 124.77 1hxj s TYR 132 Ca 0.48 -2.85 -0.18 0.00 -1.01 0.00 0.00 57.07 53.52 1hxj s TYR 132 Cb -0.22 -2.90 -0.03 0.00 -0.11 0.00 0.00 41.96 38.69 1hxj s TYR 132 CO 0.29 -0.95 0.49 0.08 -1.11 0.00 0.00 175.55 174.35 1hxj s VAL 133 N 0.96 5.11 -0.30 0.71 1.01 -0.77 -2.38 120.40 124.74 1hxj s VAL 133 Ca 0.09 0.87 -0.19 0.00 0.00 0.00 0.00 61.98 62.75 1hxj s VAL 133 Cb -0.20 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1hxj s VAL 133 CO -0.07 0.15 0.57 -0.89 0.00 0.00 0.00 175.10 174.86 1hxj s THR 134 N 1.88 5.00 0.01 3.92 2.01 0.02 -1.17 115.64 127.30 1hxj s THR 134 Ca 0.22 0.74 -0.22 0.00 0.31 0.00 0.00 61.69 62.73 1hxj s THR 134 Cb -0.15 -3.94 -0.17 0.00 0.01 0.00 0.00 72.50 68.25 1hxj s THR 134 CO 0.09 -0.09 1.30 0.40 -0.69 0.00 0.00 174.62 175.63 1hxj h ILE 135 N 5.52 1.37 -3.50 1.82 2.04 -0.84 -1.66 117.51 122.27 1hxj h ILE 135 Ca -0.28 -1.30 -0.63 0.00 1.00 0.00 0.00 64.86 63.65 1hxj h ILE 135 Cb 1.13 2.03 -0.37 0.00 -0.74 0.00 0.00 36.82 38.86 1hxj h ILE 135 CO 0.77 0.37 -0.81 0.12 0.00 0.00 0.00 178.15 178.60 1hxj s PHE 136 N -4.20 2.56 -0.53 1.37 5.36 -0.89 -4.22 117.98 117.44 1hxj s PHE 136 Ca -0.15 -1.73 0.06 0.00 -0.96 0.00 0.00 56.93 54.15 1hxj s PHE 136 Cb 0.04 -1.69 0.36 0.00 -0.34 0.00 0.00 43.02 41.39 1hxj s PHE 136 CO 0.73 -0.77 0.97 1.58 -1.46 0.00 0.00 175.22 176.27 1hxj n HIS 137 N 4.64 3.57 -0.14 10.12 -0.00 -1.26 -2.12 115.22 130.03 1hxj n HIS 137 Ca -0.15 -3.76 0.00 0.00 -0.00 0.00 0.00 57.72 53.81 1hxj n HIS 137 Cb 0.46 -0.39 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 1hxj n HIS 137 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1hxj n TRP 138 N -0.26 0.00 -2.97 1.57 8.01 -1.26 -4.85 117.44 117.67 1hxj n TRP 138 Ca 0.32 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 56.07 1hxj n TRP 138 Cb 0.48 -0.20 -0.02 0.00 -2.01 0.00 0.00 31.31 29.57 1hxj n TRP 138 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.69 176.84 1hxj s ASP 139 N -3.51 6.82 -0.01 -0.99 3.84 -1.26 -4.79 116.67 116.77 1hxj s ASP 139 Ca 0.00 -2.48 -0.27 0.00 -0.00 0.00 0.00 52.55 49.79 1hxj s ASP 139 Cb 0.00 -2.38 -0.04 0.00 -1.38 0.00 0.00 42.92 39.12 1hxj s ASP 139 CO 0.00 -0.89 0.87 -0.69 -0.00 0.00 0.00 175.17 174.46 1hxj s VAL 140 N 1.99 4.88 0.19 2.11 1.01 -1.26 -4.29 120.40 125.03 1hxj s VAL 140 Ca 0.35 1.83 -0.32 0.00 0.00 0.00 0.00 61.98 63.85 1hxj s VAL 140 Cb -0.05 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 1hxj s VAL 140 CO -0.06 0.22 1.71 -2.16 0.00 0.00 0.00 175.10 174.82 1hxj s PRO 141 N 0.75 4.14 0.50 2.72 0.04 -1.26 0.55 135.00 142.43 1hxj s PRO 141 Ca 0.46 2.57 0.22 0.00 0.04 0.00 0.00 61.00 64.29 1hxj s PRO 141 Cb -0.20 -3.15 1.29 0.00 0.04 0.00 0.00 34.50 32.47 1hxj s PRO 141 CO 0.25 -0.74 1.96 0.37 0.04 0.00 0.00 177.00 178.88 1hxj h GLN 142 N 7.04 0.14 -0.68 4.56 5.75 -0.92 -0.90 115.11 130.10 1hxj h GLN 142 Ca -0.43 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.13 1hxj h GLN 142 Cb 1.20 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.68 1hxj h GLN 142 CO 0.95 0.09 0.45 0.00 -2.65 0.00 0.00 178.83 177.67 1hxj h ALA 143 N 1.69 1.79 0.07 3.38 0.00 -1.86 -0.39 119.26 123.94 1hxj h ALA 143 Ca 0.30 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 1hxj h ALA 143 Cb 1.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1hxj h ALA 143 CO -0.04 0.09 -1.09 -0.07 0.00 0.00 0.00 179.25 178.14 1hxj h LEU 144 N 0.65 0.47 -0.82 0.00 3.38 -1.39 -2.08 115.31 115.51 1hxj h LEU 144 Ca 0.30 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1hxj h LEU 144 Cb 0.34 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1hxj h LEU 144 CO -0.10 1.28 0.54 -0.33 0.09 0.00 0.00 178.44 179.92 1hxj h GLU 145 N 0.15 1.03 0.00 1.13 4.39 -1.07 -1.66 114.58 118.55 1hxj h GLU 145 Ca -0.11 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.35 1hxj h GLU 145 Cb 1.76 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 30.15 1hxj h GLU 145 CO 0.18 0.68 -0.85 0.93 -1.16 0.00 0.00 179.01 178.79 1hxj h GLU 146 N 1.07 0.00 -0.12 2.33 5.08 -1.12 0.29 114.58 122.11 1hxj h GLU 146 Ca 0.32 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1hxj h GLU 146 Cb -0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1hxj h GLU 146 CO -0.09 0.85 -0.53 -0.22 -1.00 0.00 0.00 179.01 178.02 1hxj h LYS 147 N 0.00 0.57 0.00 2.33 3.64 -1.03 -3.42 116.57 118.67 1hxj h LYS 147 Ca -0.01 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 1hxj h LYS 147 Cb 1.53 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.37 1hxj h LYS 147 CO 0.11 1.08 -0.34 2.48 -2.27 0.00 0.00 179.45 180.51 1hxj n TYR 148 N -4.19 0.00 -1.07 1.91 0.18 -0.66 -5.01 117.16 108.32 1hxj n TYR 148 Ca -0.08 -0.16 -0.02 0.00 1.88 0.00 0.00 57.90 59.52 1hxj n TYR 148 Cb 0.61 0.15 -0.01 0.00 -0.38 0.00 0.00 39.34 39.71 1hxj n TYR 148 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1hxj n GLY 149 N 0.07 0.56 7.00 -7.48 0.00 0.10 -3.29 105.19 102.15 1hxj n GLY 149 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1hxj n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxj n GLY 150 N -2.25 4.18 0.00 -0.02 0.00 -0.97 -1.68 105.19 104.45 1hxj n GLY 150 Ca -0.02 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1hxj n GLY 150 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hxj n PHE 151 N 14.00 0.00 1.43 1.61 3.72 -1.26 -1.49 117.46 135.47 1hxj n PHE 151 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1hxj n PHE 151 Cb 0.00 -0.13 0.49 0.00 -0.94 0.00 0.00 39.48 38.90 1hxj n PHE 151 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1hxj n LEU 152 N -1.13 1.47 -4.40 4.37 4.77 -0.68 -3.73 117.00 117.67 1hxj n LEU 152 Ca 0.09 -0.54 -0.50 0.00 -0.03 0.00 0.00 56.01 55.03 1hxj n LEU 152 Cb 0.08 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1hxj n LEU 152 CO 0.10 0.27 1.91 -0.67 -1.33 0.00 0.00 177.39 177.66 1hxj n ASP 153 N 0.16 1.25 0.18 -1.43 2.03 -0.55 -4.80 116.55 113.38 1hxj n ASP 153 Ca 0.18 0.35 0.13 0.00 0.52 0.00 0.00 54.79 55.98 1hxj n ASP 153 Cb 0.33 -1.09 0.59 0.00 -0.72 0.00 0.00 41.12 40.23 1hxj n ASP 153 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1hxj h LYS 154 N 11.89 0.00 0.00 -0.67 1.57 -1.91 -2.65 116.57 124.80 1hxj h LYS 154 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1hxj h LYS 154 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1hxj h LYS 154 CO 1.15 0.00 -0.30 0.66 -0.57 0.00 0.00 179.45 180.39 1hxj h SER 155 N 0.00 0.00 -1.19 0.86 4.64 -1.96 -3.47 113.55 112.43 1hxj h SER 155 Ca 0.00 -0.01 -0.39 0.00 -0.47 0.00 0.00 61.79 60.92 1hxj h SER 155 Cb 0.31 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.27 1hxj h SER 155 CO 0.00 0.00 -0.37 1.41 -0.87 0.00 0.00 176.83 177.00 1hxj n HIS 156 N -2.88 -0.14 0.03 4.77 8.25 -1.00 -4.80 115.22 119.44 1hxj n HIS 156 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1hxj n HIS 156 Cb 0.52 -3.28 0.00 0.00 1.12 0.00 0.00 29.99 28.36 1hxj n HIS 156 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1hxj n LYS 157 N -2.51 0.00 0.04 -0.41 4.76 -1.26 -4.63 118.16 114.15 1hxj n LYS 157 Ca -0.19 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.12 1hxj n LYS 157 Cb 0.63 -0.48 -0.05 0.00 -1.84 0.00 0.00 35.03 33.28 1hxj n LYS 157 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1hxj h SER 158 N 0.00 -1.10 0.04 4.39 0.02 -1.94 -0.63 113.55 114.33 1hxj h SER 158 Ca 0.00 0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1hxj h SER 158 Cb 0.51 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1hxj h SER 158 CO 0.00 -0.41 -0.21 -0.29 -1.14 0.00 0.00 176.83 174.78 1hxj h ILE 159 N -0.49 1.23 -0.21 3.27 6.09 -1.89 -0.65 117.51 124.85 1hxj h ILE 159 Ca 0.07 -1.06 -0.03 0.00 -1.37 0.00 0.00 64.86 62.46 1hxj h ILE 159 Cb 0.59 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 39.20 1hxj h ILE 159 CO -0.31 0.33 0.01 0.58 -3.07 0.00 0.00 178.15 175.69 1hxj h VAL 160 N 0.29 1.25 -0.05 2.19 2.07 -1.72 0.40 116.25 120.67 1hxj h VAL 160 Ca 0.05 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1hxj h VAL 160 Cb 0.53 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1hxj h VAL 160 CO 0.04 0.26 0.02 -0.08 0.02 0.00 0.00 177.57 177.83 1hxj h GLU 161 N 0.13 0.08 -0.73 1.57 4.81 -0.92 -0.18 114.58 119.35 1hxj h GLU 161 Ca 0.06 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1hxj h GLU 161 Cb 0.38 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1hxj h GLU 161 CO 0.01 0.21 0.41 -0.44 -0.73 0.00 0.00 179.01 178.47 1hxj h ASP 162 N -0.07 0.91 -0.47 1.04 3.32 -1.08 -0.49 116.42 119.58 1hxj h ASP 162 Ca 0.02 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1hxj h ASP 162 Cb 0.16 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1hxj h ASP 162 CO -0.00 0.74 -0.06 0.22 -1.72 0.00 0.00 179.24 178.42 1hxj h TYR 163 N 1.01 0.95 -0.84 4.55 3.20 -0.83 -1.74 116.97 123.27 1hxj h TYR 163 Ca 0.26 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1hxj h TYR 163 Cb 0.03 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 1hxj h TYR 163 CO -0.00 0.93 0.47 1.15 -1.64 0.00 0.00 178.16 179.06 1hxj h THR 164 N 0.71 1.24 -0.21 1.81 2.02 -0.71 -0.59 112.91 117.18 1hxj h THR 164 Ca 0.12 -0.60 -0.14 0.00 0.77 0.00 0.00 66.41 66.57 1hxj h THR 164 Cb 0.59 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1hxj h THR 164 CO 0.04 0.27 -0.43 0.22 0.37 0.00 0.00 175.52 175.98 1hxj h TYR 165 N 1.17 0.63 -0.11 3.16 3.20 -0.91 -0.83 116.97 123.28 1hxj h TYR 165 Ca 0.30 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1hxj h TYR 165 Cb 0.02 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1hxj h TYR 165 CO 0.01 0.87 0.06 0.35 -1.64 0.00 0.00 178.16 177.81 1hxj h PHE 166 N 0.43 0.15 -0.88 -3.82 3.57 -0.60 0.29 116.94 116.08 1hxj h PHE 166 Ca 0.03 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1hxj h PHE 166 Cb 0.93 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1hxj h PHE 166 CO 0.04 0.16 0.58 0.00 -2.23 0.00 0.00 178.31 176.86 1hxj h ALA 167 N 0.97 1.40 -0.37 2.41 0.00 -0.97 -1.68 119.26 121.01 1hxj h ALA 167 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hxj h ALA 167 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1hxj h ALA 167 CO -0.01 0.54 0.23 -0.22 0.00 0.00 0.00 179.25 179.80 1hxj h LYS 168 N 1.16 0.50 -0.41 0.00 3.64 -0.36 0.10 116.57 121.19 1hxj h LYS 168 Ca 0.33 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1hxj h LYS 168 Cb -0.08 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1hxj h LYS 168 CO -0.08 0.36 0.25 0.28 -2.27 0.00 0.00 179.45 177.99 1hxj h VAL 169 N 0.49 1.12 -0.23 2.00 2.07 -0.24 0.21 116.25 121.66 1hxj h VAL 169 Ca 0.13 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 1hxj h VAL 169 Cb -0.02 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1hxj h VAL 169 CO -0.03 0.12 -0.39 0.00 0.02 0.00 0.00 177.57 177.30 1hxj h PHE 171 N 0.38 1.18 -0.31 0.00 0.04 -0.07 0.39 116.94 118.55 1hxj h PHE 171 Ca 0.02 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 60.55 1hxj h PHE 171 Cb 0.98 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 1hxj h PHE 171 CO 0.08 1.02 0.03 -0.44 -0.60 0.00 0.00 178.31 178.41 1hxj h ASP 172 N 0.99 0.51 0.76 2.17 3.45 -0.60 0.68 116.42 124.38 1hxj h ASP 172 Ca 0.18 -0.28 0.00 0.00 0.43 0.00 0.00 57.03 57.36 1hxj h ASP 172 Cb 0.54 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 1hxj h ASP 172 CO 0.03 0.67 -0.85 0.59 -1.57 0.00 0.00 179.24 178.11 1hxj n ASN 173 N -4.59 0.70 0.00 6.45 3.02 -0.66 -4.54 115.26 115.64 1hxj n ASN 173 Ca -0.02 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1hxj n ASN 173 Cb 0.23 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 1hxj n ASN 173 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1hxj n PHE 174 N -2.20 0.00 0.32 3.10 3.72 0.12 -4.85 117.46 117.68 1hxj n PHE 174 Ca 0.02 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.61 1hxj n PHE 174 Cb 0.47 0.00 1.03 0.00 -0.94 0.00 0.00 39.48 40.04 1hxj n PHE 174 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1hxj h GLY 175 N 0.00 0.00 1.78 1.37 0.00 -0.76 0.65 103.07 106.10 1hxj h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hxj h GLY 175 CO 0.00 0.00 -0.15 2.09 0.00 0.00 0.00 176.54 178.48 1hxj n ASP 176 N -2.94 0.59 -0.01 0.19 5.75 -1.26 -4.13 116.55 114.73 1hxj n ASP 176 Ca -0.03 0.42 -0.01 0.00 -0.01 0.00 0.00 54.79 55.16 1hxj n ASP 176 Cb 0.18 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 39.76 1hxj n ASP 176 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1hxj n LYS 177 N -2.01 3.57 -3.16 0.11 4.76 -0.24 -5.02 118.16 116.16 1hxj n LYS 177 Ca 0.05 -0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.10 1hxj n LYS 177 Cb 0.41 -1.07 -0.05 0.00 -1.84 0.00 0.00 35.03 32.48 1hxj n LYS 177 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1hxj s VAL 178 N -2.06 5.06 -0.65 -0.18 1.01 0.06 -4.93 120.40 118.70 1hxj s VAL 178 Ca -0.01 1.25 0.07 0.00 0.00 0.00 0.00 61.98 63.28 1hxj s VAL 178 Cb 0.01 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1hxj s VAL 178 CO 0.10 0.31 0.54 0.29 0.00 0.00 0.00 175.10 176.35 1hxj n LYS 179 N 3.50 1.95 -3.72 2.72 5.02 -1.26 -4.77 118.16 121.61 1hxj n LYS 179 Ca -0.04 -0.56 -0.24 0.00 -2.02 0.00 0.00 58.31 55.45 1hxj n LYS 179 Cb 0.51 -1.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.35 1hxj n LYS 179 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1hxj s ASN 180 N -0.99 1.90 0.06 4.39 0.01 -1.26 -0.08 114.94 118.97 1hxj s ASN 180 Ca 0.06 -0.29 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 1hxj s ASN 180 Cb 0.05 -0.38 -0.03 0.00 0.41 0.00 0.00 41.25 41.30 1hxj s ASN 180 CO 0.16 -0.25 -0.22 0.26 -1.51 0.00 0.00 177.10 175.53 1hxj s TRP 181 N 2.01 2.44 -0.21 2.20 0.52 0.26 -1.84 118.94 124.32 1hxj s TRP 181 Ca 0.03 -0.33 -0.02 0.00 0.02 0.00 0.00 56.10 55.80 1hxj s TRP 181 Cb -0.14 -1.41 0.06 0.00 -1.15 0.00 0.00 33.47 30.84 1hxj s TRP 181 CO -0.06 0.22 0.01 -0.51 0.02 0.00 0.00 176.95 176.64 1hxj s LEU 182 N -1.47 1.64 0.10 2.99 1.43 -0.32 -0.91 118.68 122.14 1hxj s LEU 182 Ca 0.14 -0.97 -0.20 0.00 -1.03 0.00 0.00 54.13 52.06 1hxj s LEU 182 Cb -0.10 -0.78 -0.08 0.00 0.03 0.00 0.00 46.19 45.26 1hxj s LEU 182 CO 0.04 -0.29 1.67 0.71 0.23 0.00 0.00 176.35 178.71 1hxj h THR 183 N 6.56 1.13 -3.96 5.49 1.35 -1.06 0.14 112.91 122.56 1hxj h THR 183 Ca -0.16 -0.37 -0.32 0.00 -0.55 0.00 0.00 66.41 65.01 1hxj h THR 183 Cb 1.10 1.02 -0.22 0.00 -1.73 0.00 0.00 68.15 68.32 1hxj h THR 183 CO 0.37 0.12 -0.75 -0.36 -0.25 0.00 0.00 175.52 174.65 1hxj s PHE 184 N -5.74 0.81 -0.18 4.73 0.40 -1.26 -2.09 117.98 114.66 1hxj s PHE 184 Ca -0.13 -0.45 -0.05 0.00 -0.60 0.00 0.00 56.93 55.70 1hxj s PHE 184 Cb 0.08 -0.48 -0.03 0.00 0.51 0.00 0.00 43.02 43.10 1hxj s PHE 184 CO 0.70 -0.04 -0.01 1.21 0.70 0.00 0.00 175.22 177.78 1hxj s ASN 185 N -1.49 4.87 -0.79 1.36 2.47 -0.90 -1.77 114.94 118.70 1hxj s ASN 185 Ca -0.07 -0.15 -0.07 0.00 0.42 0.00 0.00 52.86 53.00 1hxj s ASN 185 Cb -0.09 -1.82 0.01 0.00 -1.45 0.00 0.00 41.25 37.90 1hxj s ASN 185 CO 0.01 0.12 0.53 -0.62 -3.72 0.00 0.00 177.10 173.42 1hxj n GLU 186 N 3.86 -1.10 0.26 0.43 1.02 0.57 -4.77 120.64 120.90 1hxj n GLU 186 Ca -0.17 0.49 0.09 0.00 -0.02 0.00 0.00 57.16 57.54 1hxj n GLU 186 Cb 0.52 -1.91 0.66 0.00 -0.02 0.00 0.00 31.44 30.70 1hxj n GLU 186 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1hxj h PRO 187 N -0.50 0.00 -0.21 3.49 0.13 -1.87 -1.76 132.00 131.28 1hxj h PRO 187 Ca -0.57 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.52 1hxj h PRO 187 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1hxj h PRO 187 CO 0.35 0.01 -0.02 0.37 -0.23 0.00 0.00 178.00 178.48 1hxj h GLN 188 N 0.00 0.38 -0.22 0.86 -0.00 -1.88 -0.66 115.11 113.59 1hxj h GLN 188 Ca -0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1hxj h GLN 188 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1hxj h GLN 188 CO 0.00 0.60 0.09 1.15 0.00 0.00 0.00 178.83 180.67 1hxj h THR 189 N 0.12 1.16 0.27 2.39 2.02 -1.83 -1.20 112.91 115.84 1hxj h THR 189 Ca 0.06 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1hxj h THR 189 Cb 0.44 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1hxj h THR 189 CO 0.01 0.16 -0.38 0.15 0.37 0.00 0.00 175.52 175.83 1hxj h PHE 190 N 0.21 -1.05 0.03 3.16 3.57 -1.28 0.22 116.94 121.81 1hxj h PHE 190 Ca 0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1hxj h PHE 190 Cb 0.17 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1hxj h PHE 190 CO -0.01 -0.51 -0.02 1.79 -2.23 0.00 0.00 178.31 177.33 1hxj h THR 191 N -0.71 1.06 -0.71 4.41 1.35 -1.10 -1.04 112.91 116.17 1hxj h THR 191 Ca -0.01 -0.30 -0.06 0.00 -0.55 0.00 0.00 66.41 65.49 1hxj h THR 191 Cb 0.68 1.27 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 1hxj h THR 191 CO -0.13 0.08 0.19 0.28 -0.25 0.00 0.00 175.52 175.69 1hxj h SER 192 N -0.18 1.05 0.81 5.36 0.02 -1.19 -1.97 113.55 117.46 1hxj h SER 192 Ca -0.00 -0.22 -0.24 0.00 -0.84 0.00 0.00 61.79 60.48 1hxj h SER 192 Cb 0.16 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1hxj h SER 192 CO 0.01 1.00 -1.14 -0.26 -1.14 0.00 0.00 176.83 175.30 1hxj h PHE 193 N 1.05 0.24 0.20 3.45 -1.00 -0.98 0.59 116.94 120.50 1hxj h PHE 193 Ca 0.22 -0.18 -0.31 0.00 2.81 0.00 0.00 57.97 60.51 1hxj h PHE 193 Cb 0.34 -0.01 0.02 0.00 3.61 0.00 0.00 35.95 39.92 1hxj h PHE 193 CO 0.03 1.14 -1.40 0.77 -1.61 0.00 0.00 178.31 177.24 1hxj h SER 194 N 0.04 0.66 0.00 2.17 0.02 -1.20 0.89 113.55 116.13 1hxj h SER 194 Ca -0.08 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 1hxj h SER 194 Cb 1.88 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.20 1hxj h SER 194 CO 0.16 1.57 0.00 -1.22 -1.14 0.00 0.00 176.83 176.20 1hxj n TYR 195 N -3.63 0.00 0.00 3.45 4.01 -0.74 -2.24 117.16 118.00 1hxj n TYR 195 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1hxj n TYR 195 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 1hxj n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hxj n GLY 196 N 0.10 -0.37 0.10 2.72 0.00 0.02 -3.98 105.19 103.77 1hxj n GLY 196 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1hxj n GLY 196 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1hxj h THR 197 N 0.00 0.00 -1.16 2.61 1.35 -1.23 -3.40 112.91 111.08 1hxj h THR 197 Ca 0.00 -0.61 -0.28 0.00 -0.55 0.00 0.00 66.41 64.98 1hxj h THR 197 Cb 0.00 1.32 -0.07 0.00 -1.73 0.00 0.00 68.15 67.67 1hxj h THR 197 CO 0.00 0.00 -0.29 0.61 -0.25 0.00 0.00 175.52 175.59 1hxj n GLY 198 N 1.29 0.78 0.06 5.82 0.00 -0.48 -4.67 105.19 107.98 1hxj n GLY 198 Ca 0.03 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1hxj n GLY 198 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1hxj n VAL 199 N -3.17 0.33 -4.21 1.61 0.24 0.19 -4.24 118.33 109.08 1hxj n VAL 199 Ca -0.15 -0.18 -0.22 0.00 -2.04 0.00 0.00 64.34 61.75 1hxj n VAL 199 Cb 0.52 -0.37 -0.06 0.00 -1.47 0.00 0.00 33.84 32.46 1hxj n VAL 199 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1hxj s PHE 200 N -3.08 2.90 0.51 6.34 0.40 -0.77 -4.60 117.98 119.68 1hxj s PHE 200 Ca 0.10 -0.17 -0.23 0.00 -0.60 0.00 0.00 56.93 56.04 1hxj s PHE 200 Cb 0.15 -1.30 -0.06 0.00 0.51 0.00 0.00 43.02 42.32 1hxj s PHE 200 CO 0.62 0.57 1.31 0.00 0.70 0.00 0.00 175.22 178.43 1hxj n ALA 201 N -1.03 1.45 1.87 5.36 0.00 -1.26 0.31 120.51 127.21 1hxj n ALA 201 Ca -0.07 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1hxj n ALA 201 Cb 0.58 -2.32 0.60 0.00 0.00 0.00 0.00 19.45 18.31 1hxj n ALA 201 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1hxj n PRO 202 N -0.70 1.13 -2.13 0.00 -0.04 -1.26 -4.61 135.00 127.39 1hxj n PRO 202 Ca 0.09 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1hxj n PRO 202 Cb 0.43 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1hxj n PRO 202 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hxj n GLY 203 N 0.89 0.60 3.79 0.55 0.00 0.15 -4.74 105.19 106.42 1hxj n GLY 203 Ca 0.16 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1hxj n GLY 203 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hxj s ARG 204 N -4.26 2.91 0.10 1.61 0.52 -0.95 -0.42 118.95 118.47 1hxj s ARG 204 Ca 0.00 -0.71 -0.26 0.00 -0.52 0.00 0.00 55.73 54.23 1hxj s ARG 204 Cb 0.00 -2.73 0.08 0.00 0.52 0.00 0.00 34.95 32.82 1hxj s ARG 204 CO 0.00 0.55 1.02 0.00 0.02 0.00 0.00 175.30 176.90 1hxj s SER 206 N -2.91 5.05 0.44 0.00 0.01 -1.26 -0.48 113.70 114.55 1hxj s SER 206 Ca 0.12 2.32 -0.25 0.00 1.31 0.00 0.00 55.95 59.45 1hxj s SER 206 Cb -0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 1hxj s SER 206 CO 0.00 -1.68 1.30 -2.65 0.41 0.00 0.00 173.24 170.62 1hxj n PRO 207 N -1.85 1.95 0.00 12.44 -0.02 -1.09 -1.83 135.00 144.60 1hxj n PRO 207 Ca 0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1hxj n PRO 207 Cb 0.50 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1hxj n PRO 207 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hxj n GLY 208 N 0.77 2.19 3.92 -1.23 0.00 -1.26 -5.04 105.19 104.54 1hxj n GLY 208 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1hxj n GLY 208 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hxj s LEU 209 N 0.00 4.22 -0.85 0.99 1.43 -0.76 -5.04 118.68 118.66 1hxj s LEU 209 Ca 0.00 0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 53.35 1hxj s LEU 209 Cb 0.00 -3.20 0.13 0.00 0.03 0.00 0.00 46.19 43.15 1hxj s LEU 209 CO 0.00 -0.04 1.03 -0.62 0.23 0.00 0.00 176.35 176.95 1hxj s ASP 210 N -3.10 6.54 0.22 2.29 3.68 -1.26 -4.72 116.67 120.32 1hxj s ASP 210 Ca 0.39 -1.92 -0.10 0.00 2.13 0.00 0.00 52.55 53.05 1hxj s ASP 210 Cb -0.11 -2.37 -0.01 0.00 -1.45 0.00 0.00 42.92 38.97 1hxj s ASP 210 CO 0.29 -1.07 0.38 0.00 0.13 0.00 0.00 175.17 174.90 1hxj h ALA 212 N 2.37 1.78 -2.72 0.00 0.00 -1.78 -3.33 119.26 115.59 1hxj h ALA 212 Ca -0.29 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 1hxj h ALA 212 Cb 1.25 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.48 1hxj h ALA 212 CO 0.41 0.10 -0.80 0.71 0.00 0.00 0.00 179.25 179.67 1hxj s TYR 213 N -5.60 1.90 0.00 0.00 1.51 0.44 -4.99 117.35 110.62 1hxj s TYR 213 Ca -0.09 -2.55 -0.04 0.00 -1.01 0.00 0.00 57.07 53.38 1hxj s TYR 213 Cb 0.19 -1.61 -0.16 0.00 -0.11 0.00 0.00 41.96 40.27 1hxj s TYR 213 CO 0.76 -0.75 2.86 -0.35 -1.11 0.00 0.00 175.55 176.97 1hxj n PRO 214 N 2.89 1.53 -1.10 -1.71 -0.04 -1.25 -2.41 135.00 132.91 1hxj n PRO 214 Ca 0.21 -0.60 0.02 0.00 -0.04 0.00 0.00 63.50 63.09 1hxj n PRO 214 Cb 0.40 -1.64 0.13 0.00 -0.04 0.00 0.00 33.50 32.36 1hxj n PRO 214 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1hxj n THR 215 N 2.18 1.57 -0.66 0.52 -2.24 -1.06 -2.68 114.28 111.91 1hxj n THR 215 Ca 0.26 -2.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.34 1hxj n THR 215 Cb 0.72 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1hxj n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hxj n GLY 216 N -0.60 3.96 3.10 3.38 0.00 0.37 -4.96 105.19 110.45 1hxj n GLY 216 Ca 0.17 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1hxj n GLY 216 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hxj s ASN 217 N 0.27 -1.14 0.67 1.61 3.84 -1.26 -4.24 114.94 114.69 1hxj s ASN 217 Ca 0.00 -0.22 0.40 0.00 0.21 0.00 0.00 52.86 53.26 1hxj s ASN 217 Cb 0.00 1.79 2.19 0.00 -0.55 0.00 0.00 41.25 44.68 1hxj s ASN 217 CO 0.00 -0.28 2.24 0.28 -2.79 0.00 0.00 177.10 176.55 1hxj h SER 218 N 7.75 0.00 0.44 -4.21 0.02 -1.82 -0.70 113.55 115.04 1hxj h SER 218 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1hxj h SER 218 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1hxj h SER 218 CO 0.16 0.00 -0.52 0.18 -1.14 0.00 0.00 176.83 175.51 1hxj n LEU 219 N -3.03 0.58 0.02 5.07 4.77 -1.26 -2.14 117.00 121.01 1hxj n LEU 219 Ca -0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1hxj n LEU 219 Cb 0.17 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1hxj n LEU 219 CO 0.18 0.14 -0.30 0.52 -1.33 0.00 0.00 177.39 176.60 1hxj n VAL 220 N -1.43 0.29 -0.36 4.08 0.31 -0.36 -4.80 118.33 116.07 1hxj n VAL 220 Ca 0.06 0.10 0.11 0.00 -0.01 0.00 0.00 64.34 64.59 1hxj n VAL 220 Cb 0.34 -1.35 0.29 0.00 -0.91 0.00 0.00 33.84 32.21 1hxj n VAL 220 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1hxj h GLU 221 N 0.00 0.83 -0.45 5.55 5.08 -1.58 -0.80 114.58 123.21 1hxj h GLU 221 Ca 0.00 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1hxj h GLU 221 Cb 0.60 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1hxj h GLU 221 CO 0.00 0.55 0.30 -1.35 -1.00 0.00 0.00 179.01 177.51 1hxj h PRO 222 N 0.86 0.58 0.01 2.33 0.11 -1.78 0.33 132.00 134.45 1hxj h PRO 222 Ca 0.55 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.42 1hxj h PRO 222 Cb 0.73 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 1hxj h PRO 222 CO -0.33 0.39 -0.94 1.88 -0.21 0.00 0.00 178.00 178.78 1hxj h TYR 223 N 0.60 0.11 -0.18 0.65 0.05 -1.50 -1.46 116.97 115.24 1hxj h TYR 223 Ca 0.17 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 1hxj h TYR 223 Cb -0.05 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1hxj h TYR 223 CO -0.00 0.96 -0.07 1.15 -1.05 0.00 0.00 178.16 179.15 1hxj h THR 224 N 0.03 1.30 -0.32 -2.88 2.02 -0.46 -1.30 112.91 111.30 1hxj h THR 224 Ca -0.03 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1hxj h THR 224 Cb 1.63 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.67 1hxj h THR 224 CO 0.13 0.33 0.17 0.00 0.37 0.00 0.00 175.52 176.52 1hxj h ALA 225 N 0.70 0.41 -0.84 6.16 0.00 -0.99 -2.01 119.26 122.69 1hxj h ALA 225 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hxj h ALA 225 Cb 0.54 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1hxj h ALA 225 CO 0.02 -0.05 0.49 0.78 0.00 0.00 0.00 179.25 180.49 1hxj h GLY 226 N 0.40 1.24 0.89 0.00 0.00 -1.22 -0.94 103.07 103.44 1hxj h GLY 226 Ca 0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1hxj h GLY 226 CO -0.02 0.51 0.03 0.84 0.00 0.00 0.00 176.54 177.91 1hxj h HIS 227 N 1.17 0.57 -0.37 5.60 2.76 -0.97 -1.59 115.15 122.32 1hxj h HIS 227 Ca 0.30 -0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 1hxj h HIS 227 Cb -0.01 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1hxj h HIS 227 CO 0.01 0.63 0.03 -0.91 -1.30 0.00 0.00 177.93 176.39 1hxj h ASN 228 N 0.34 0.53 -0.50 3.26 2.35 -1.07 -1.20 115.58 119.29 1hxj h ASN 228 Ca 0.09 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1hxj h ASN 228 Cb 0.39 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1hxj h ASN 228 CO 0.01 0.58 0.12 0.40 -1.65 0.00 0.00 177.43 176.89 1hxj h ILE 229 N 0.55 1.24 -0.33 2.81 2.04 -0.85 -0.20 117.51 122.77 1hxj h ILE 229 Ca 0.12 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 65.01 1hxj h ILE 229 Cb 0.31 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1hxj h ILE 229 CO 0.01 0.31 -0.26 -0.07 0.00 0.00 0.00 178.15 178.14 1hxj h LEU 230 N 0.69 0.69 -0.58 1.44 3.38 -0.87 0.14 115.31 120.21 1hxj h LEU 230 Ca 0.16 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1hxj h LEU 230 Cb 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1hxj h LEU 230 CO 0.00 0.92 -0.24 -0.07 0.09 0.00 0.00 178.44 179.14 1hxj h LEU 231 N 0.59 0.90 -0.47 1.67 3.38 -1.05 -1.20 115.31 119.14 1hxj h LEU 231 Ca 0.08 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1hxj h LEU 231 Cb 0.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1hxj h LEU 231 CO 0.06 1.10 -0.20 0.00 0.09 0.00 0.00 178.44 179.49 1hxj h ALA 232 N 0.96 0.65 -0.47 1.53 0.00 -0.73 -1.93 119.26 119.27 1hxj h ALA 232 Ca 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1hxj h ALA 232 Cb 0.79 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1hxj h ALA 232 CO 0.07 0.63 0.26 1.25 0.00 0.00 0.00 179.25 181.45 1hxj h HIS 233 N 0.81 0.65 -0.85 0.00 -0.00 -0.57 -1.45 115.15 113.74 1hxj h HIS 233 Ca 0.11 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.44 1hxj h HIS 233 Cb 0.77 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.94 1hxj h HIS 233 CO 0.05 0.49 0.44 0.00 -0.00 0.00 0.00 177.93 178.91 1hxj h ALA 234 N 1.10 1.09 -0.36 5.26 0.00 -1.05 -1.33 119.26 123.98 1hxj h ALA 234 Ca 0.17 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1hxj h ALA 234 Cb 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1hxj h ALA 234 CO -0.03 0.62 -0.38 0.93 0.00 0.00 0.00 179.25 180.40 1hxj h GLU 235 N 1.20 0.87 -0.49 0.00 4.39 -1.14 -1.13 114.58 118.27 1hxj h GLU 235 Ca 0.30 -0.45 -0.13 0.00 0.34 0.00 0.00 59.36 59.42 1hxj h GLU 235 Cb 0.07 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1hxj h GLU 235 CO -0.04 1.10 -0.19 0.00 -1.16 0.00 0.00 179.01 178.71 1hxj h ALA 236 N 0.85 0.72 -0.12 3.43 0.00 -1.08 -0.57 119.26 122.49 1hxj h ALA 236 Ca 0.06 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1hxj h ALA 236 Cb 0.96 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1hxj h ALA 236 CO 0.09 0.67 -0.61 0.28 0.00 0.00 0.00 179.25 179.69 1hxj h VAL 237 N 0.86 1.36 0.02 0.00 2.07 -1.23 -0.60 116.25 118.74 1hxj h VAL 237 Ca 0.12 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.70 1hxj h VAL 237 Cb 0.77 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1hxj h VAL 237 CO 0.06 0.58 -0.01 -0.78 0.02 0.00 0.00 177.57 177.45 1hxj h ASP 238 N 0.29 -0.02 -0.52 0.57 -0.00 -1.02 -0.01 116.42 115.71 1hxj h ASP 238 Ca -0.01 -0.10 0.07 0.00 -0.00 0.00 0.00 57.03 56.99 1hxj h ASP 238 Cb 1.14 0.01 -0.06 0.00 -0.00 0.00 0.00 39.33 40.41 1hxj h ASP 238 CO 0.10 0.09 0.20 0.25 -0.00 0.00 0.00 179.24 179.89 1hxj h LEU 239 N -0.13 0.23 0.15 2.28 5.85 -0.96 -1.77 115.31 120.96 1hxj h LEU 239 Ca -0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1hxj h LEU 239 Cb 0.12 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1hxj h LEU 239 CO 0.00 0.16 -0.10 0.22 -0.34 0.00 0.00 178.44 178.38 1hxj h TYR 240 N 0.40 -0.25 0.00 1.25 3.20 -0.76 -0.84 116.97 119.97 1hxj h TYR 240 Ca 0.25 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1hxj h TYR 240 Cb 0.26 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1hxj h TYR 240 CO -0.15 -0.15 -0.10 -0.91 -1.64 0.00 0.00 178.16 175.20 1hxj h ASN 241 N -0.24 0.00 0.56 -2.11 2.35 -0.75 0.62 115.58 116.01 1hxj h ASN 241 Ca -0.01 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.46 1hxj h ASN 241 Cb 0.21 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 1hxj h ASN 241 CO 0.01 0.10 -1.58 0.11 -1.65 0.00 0.00 177.43 174.42 1hxj h LYS 242 N 0.00 0.04 0.00 0.81 1.57 -1.03 -3.42 116.57 114.54 1hxj h LYS 242 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1hxj h LYS 242 Cb 0.21 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1hxj h LYS 242 CO 0.01 0.68 -0.29 0.72 -0.57 0.00 0.00 179.45 180.01 1hxj n HIS 243 N -3.16 0.00 0.00 -1.35 8.25 -0.35 -4.92 115.22 113.69 1hxj n HIS 243 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1hxj n HIS 243 Cb 1.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.14 1hxj n HIS 243 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1hxj n TYR 244 N -0.73 0.00 -1.72 4.41 4.01 0.14 -5.05 117.16 118.22 1hxj n TYR 244 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1hxj n TYR 244 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1hxj n TYR 244 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1hxj n LYS 245 N -0.90 2.44 -4.23 -0.72 3.00 0.19 -5.00 118.16 112.94 1hxj n LYS 245 Ca 0.00 0.86 -0.18 0.00 -0.00 0.00 0.00 58.31 58.99 1hxj n LYS 245 Cb 0.00 -2.57 -0.11 0.00 0.00 0.00 0.00 35.03 32.35 1hxj n LYS 245 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1hxj s ARG 246 N -1.01 1.00 0.37 1.64 0.52 -1.26 -5.02 118.95 115.18 1hxj s ARG 246 Ca 0.62 -1.21 0.13 0.00 -0.52 0.00 0.00 55.73 54.75 1hxj s ARG 246 Cb -0.54 -0.89 0.94 0.00 0.52 0.00 0.00 34.95 34.97 1hxj s ARG 246 CO 0.54 0.17 1.81 -0.44 0.02 0.00 0.00 175.30 177.40 1hxj h ASP 247 N 3.61 0.58 -0.26 0.23 5.19 -2.03 -1.78 116.42 121.96 1hxj h ASP 247 Ca -0.40 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1hxj h ASP 247 Cb 1.19 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1hxj h ASP 247 CO 0.49 0.20 0.00 -0.90 -3.12 0.00 0.00 179.24 175.92 1hxj n ASP 248 N -4.63 2.71 -4.81 6.45 5.75 -1.26 -4.93 116.55 115.82 1hxj n ASP 248 Ca 0.22 -1.88 -0.31 0.00 -0.01 0.00 0.00 54.79 52.81 1hxj n ASP 248 Cb 0.67 -0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 1hxj n ASP 248 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1hxj s THR 249 N -1.67 4.72 0.06 2.12 -4.23 -0.67 -4.90 115.64 111.07 1hxj s THR 249 Ca 0.35 -0.67 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 1hxj s THR 249 Cb 0.21 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 1hxj s THR 249 CO 0.30 0.14 -0.13 -0.13 -0.54 0.00 0.00 174.62 174.26 1hxj s ARG 250 N -2.39 0.75 0.01 3.99 0.52 0.89 -4.70 118.95 118.02 1hxj s ARG 250 Ca 0.30 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1hxj s ARG 250 Cb -0.12 -0.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.63 1hxj s ARG 250 CO 0.23 0.15 -0.03 -1.50 0.02 0.00 0.00 175.30 174.17 1hxj s ILE 251 N -1.29 0.15 0.00 1.52 2.07 -1.26 -0.57 121.20 121.82 1hxj s ILE 251 Ca -0.04 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 58.59 1hxj s ILE 251 Cb -0.10 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.26 1hxj s ILE 251 CO 0.02 -0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.37 1hxj n GLY 252 N 2.13 2.04 3.54 1.50 0.00 -0.09 -0.34 105.19 113.97 1hxj n GLY 252 Ca -0.19 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1hxj n GLY 252 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1hxj s LEU 253 N 0.00 -0.36 -0.13 0.99 0.05 -1.26 -0.48 118.68 117.49 1hxj s LEU 253 Ca 0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 54.13 53.93 1hxj s LEU 253 Cb 0.00 2.54 -0.03 0.00 -2.05 0.00 0.00 46.19 46.65 1hxj s LEU 253 CO 0.00 -1.07 -0.06 0.00 -0.55 0.00 0.00 176.35 174.67 1hxj s ALA 254 N -3.81 2.93 -0.10 1.48 0.00 -0.73 -0.93 121.76 120.60 1hxj s ALA 254 Ca 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 1hxj s ALA 254 Cb -0.02 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1hxj s ALA 254 CO -0.07 0.31 0.01 -0.06 0.00 0.00 0.00 175.76 175.96 1hxj s PHE 255 N 0.06 3.18 0.28 0.00 0.40 -0.04 -0.32 117.98 121.54 1hxj s PHE 255 Ca -0.01 0.16 -0.28 0.00 -0.60 0.00 0.00 56.93 56.19 1hxj s PHE 255 Cb -0.14 -1.83 -0.09 0.00 0.51 0.00 0.00 43.02 41.47 1hxj s PHE 255 CO 0.03 0.41 0.96 0.16 0.70 0.00 0.00 175.22 177.49 1hxj s ASP 256 N -0.68 7.44 -0.19 1.36 -4.77 -1.26 -0.25 116.67 118.31 1hxj s ASP 256 Ca 0.11 1.95 -0.09 0.00 -3.30 0.00 0.00 52.55 51.21 1hxj s ASP 256 Cb -0.12 -2.60 0.07 0.00 -1.09 0.00 0.00 42.92 39.19 1hxj s ASP 256 CO 0.02 0.00 0.45 -0.69 0.70 0.00 0.00 175.17 175.65 1hxj s VAL 257 N -1.37 -0.23 -0.12 2.11 1.01 -0.70 -4.61 120.40 116.49 1hxj s VAL 257 Ca 0.46 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1hxj s VAL 257 Cb -0.24 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1hxj s VAL 257 CO 0.30 0.04 -0.03 -0.04 0.00 0.00 0.00 175.10 175.36 1hxj s MET 258 N 1.81 3.27 0.71 2.72 -1.94 -1.26 -4.14 119.30 120.47 1hxj s MET 258 Ca -0.07 -0.49 -0.15 0.00 -1.71 0.00 0.00 55.69 53.26 1hxj s MET 258 Cb -0.09 -2.81 0.03 0.00 2.01 0.00 0.00 34.83 33.97 1hxj s MET 258 CO -0.14 0.47 1.17 0.20 -0.01 0.00 0.00 175.02 176.71 1hxj s GLY 259 N -0.25 2.29 -0.06 -0.03 0.00 -0.46 -4.83 107.32 103.98 1hxj s GLY 259 Ca 0.05 0.77 0.05 0.00 0.00 0.00 0.00 44.72 45.58 1hxj s GLY 259 CO 0.02 1.16 -0.20 0.50 0.00 0.00 0.00 173.10 174.58 1hxj s ARG 260 N -3.96 2.25 -0.02 2.90 1.81 -1.26 -0.83 118.95 119.84 1hxj s ARG 260 Ca 0.72 -0.73 0.01 0.00 -1.72 0.00 0.00 55.73 54.01 1hxj s ARG 260 Cb -0.26 -1.87 0.01 0.00 -0.45 0.00 0.00 34.95 32.38 1hxj s ARG 260 CO 0.44 0.25 -0.05 0.08 -0.68 0.00 0.00 175.30 175.34 1hxj s VAL 261 N 0.10 0.50 0.19 3.52 1.01 -0.46 -4.97 120.40 120.29 1hxj s VAL 261 Ca -0.08 -0.18 -0.33 0.00 0.00 0.00 0.00 61.98 61.40 1hxj s VAL 261 Cb -0.14 -0.48 -0.14 0.00 0.00 0.00 0.00 36.38 35.62 1hxj s VAL 261 CO 0.04 0.18 1.39 -2.65 0.00 0.00 0.00 175.10 174.06 1hxj n PRO 262 N 3.53 1.78 0.43 2.72 -0.02 -1.26 -0.43 135.00 141.74 1hxj n PRO 262 Ca -0.20 0.64 -0.17 0.00 -2.02 0.00 0.00 63.50 61.75 1hxj n PRO 262 Cb 0.54 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 1hxj n PRO 262 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1hxj h TYR 263 N 4.50 -1.02 -3.05 6.00 3.20 -1.38 -3.43 116.97 121.78 1hxj h TYR 263 Ca -0.45 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1hxj h TYR 263 Cb 1.29 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.90 1hxj h TYR 263 CO 0.58 -0.63 0.00 0.41 -1.64 0.00 0.00 178.16 176.87 1hxj n GLY 264 N -1.32 4.88 0.04 1.82 0.00 -1.26 -4.56 105.19 104.79 1hxj n GLY 264 Ca -0.14 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 43.96 1hxj n GLY 264 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hxj n THR 265 N -0.02 0.19 -1.71 2.61 -2.24 -1.26 -4.88 114.28 106.96 1hxj n THR 265 Ca 0.00 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.16 1hxj n THR 265 Cb 0.00 0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.43 1hxj n THR 265 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1hxj n SER 266 N -1.94 2.45 0.30 3.42 2.88 -1.26 -4.86 113.62 114.61 1hxj n SER 266 Ca 0.02 1.05 0.19 0.00 -1.33 0.00 0.00 58.87 58.81 1hxj n SER 266 Cb 0.43 -1.51 0.91 0.00 -0.75 0.00 0.00 64.21 63.29 1hxj n SER 266 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1hxj h PHE 267 N 1.79 0.00 -0.20 0.66 -5.15 -2.01 -2.21 116.94 109.82 1hxj h PHE 267 Ca -0.49 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.20 1hxj h PHE 267 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.46 1hxj h PHE 267 CO 0.46 0.00 -0.25 -0.07 -2.00 0.00 0.00 178.31 176.45 1hxj h LEU 268 N 0.00 0.37 -0.69 2.10 3.38 -1.98 -2.27 115.31 116.22 1hxj h LEU 268 Ca 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1hxj h LEU 268 Cb 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1hxj h LEU 268 CO 0.00 0.62 -0.02 0.44 0.09 0.00 0.00 178.44 179.57 1hxj h ASP 269 N 0.33 0.00 0.06 -0.43 3.45 -1.72 -0.59 116.42 117.53 1hxj h ASP 269 Ca 0.05 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.28 1hxj h ASP 269 Cb 0.62 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.40 1hxj h ASP 269 CO 0.04 0.02 -0.87 0.50 -1.57 0.00 0.00 179.24 177.37 1hxj h LYS 270 N 0.00 0.62 -0.33 3.56 1.63 -1.47 -0.20 116.57 120.39 1hxj h LYS 270 Ca -0.00 -0.58 -0.15 0.00 -0.85 0.00 0.00 60.65 59.07 1hxj h LYS 270 Cb 0.79 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 1hxj h LYS 270 CO 0.00 1.19 -0.40 1.96 -3.45 0.00 0.00 179.45 178.76 1hxj h GLN 271 N 0.39 0.81 -0.74 1.90 4.20 -1.16 -1.81 115.11 118.71 1hxj h GLN 271 Ca -0.07 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.18 1hxj h GLN 271 Cb 1.50 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.26 1hxj h GLN 271 CO 0.17 1.06 0.34 0.00 -0.67 0.00 0.00 178.83 179.73 1hxj h ALA 272 N 0.88 0.96 -0.06 3.87 0.00 -1.02 -1.29 119.26 122.59 1hxj h ALA 272 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1hxj h ALA 272 Cb 0.96 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1hxj h ALA 272 CO 0.09 0.53 -0.00 1.49 0.00 0.00 0.00 179.25 181.36 1hxj h GLU 273 N 1.04 0.02 -0.58 0.00 4.81 -0.75 -1.27 114.58 117.85 1hxj h GLU 273 Ca 0.25 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1hxj h GLU 273 Cb 0.14 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1hxj h GLU 273 CO -0.03 0.01 0.31 0.93 -0.73 0.00 0.00 179.01 179.50 1hxj h GLU 274 N 0.02 0.57 0.00 1.92 4.39 -0.97 -0.91 114.58 119.60 1hxj h GLU 274 Ca 0.03 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1hxj h GLU 274 Cb 0.04 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1hxj h GLU 274 CO -0.05 0.38 -0.24 0.00 -1.16 0.00 0.00 179.01 177.93 1hxj h ARG 275 N 0.59 0.00 -0.08 2.33 3.08 -0.97 -1.87 114.38 117.47 1hxj h ARG 275 Ca 0.25 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.07 1hxj h ARG 275 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.21 1hxj h ARG 275 CO -0.16 0.24 -0.88 0.77 -1.07 0.00 0.00 179.97 178.87 1hxj h SER 276 N 0.00 0.82 -0.74 7.04 0.02 -0.08 -0.66 113.55 119.94 1hxj h SER 276 Ca -0.00 -0.59 -0.05 0.00 -0.84 0.00 0.00 61.79 60.32 1hxj h SER 276 Cb 0.45 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1hxj h SER 276 CO 0.03 1.38 0.28 -0.50 -1.14 0.00 0.00 176.83 176.88 1hxj h TRP 277 N 0.42 1.14 0.26 3.45 4.06 -0.96 -2.02 115.95 122.30 1hxj h TRP 277 Ca -0.08 -0.09 -0.00 0.00 2.06 0.00 0.00 58.89 60.78 1hxj h TRP 277 Cb 1.51 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 29.32 1hxj h TRP 277 CO 0.08 0.87 -0.20 -0.44 -3.56 0.00 0.00 178.44 175.20 1hxj h ASP 278 N 1.07 -0.52 0.11 -3.49 5.19 -1.17 0.26 116.42 117.88 1hxj h ASP 278 Ca 0.24 0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.64 1hxj h ASP 278 Cb 0.23 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1hxj h ASP 278 CO -0.02 -0.31 -0.20 -0.29 -3.12 0.00 0.00 179.24 175.30 1hxj h ILE 279 N -0.47 1.20 0.00 0.35 6.09 -1.03 0.32 117.51 123.97 1hxj h ILE 279 Ca -0.02 -0.91 0.00 0.00 -1.37 0.00 0.00 64.86 62.57 1hxj h ILE 279 Cb 0.41 1.34 0.00 0.00 0.47 0.00 0.00 36.82 39.04 1hxj h ILE 279 CO -0.01 0.27 -0.27 -1.13 -3.07 0.00 0.00 178.15 173.94 1hxj h ASN 280 N 0.16 0.00 0.00 2.19 -1.24 -1.23 -3.40 115.58 112.06 1hxj h ASN 280 Ca 0.03 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.90 1hxj h ASN 280 Cb 0.45 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 1hxj h ASN 280 CO 0.03 0.49 -0.87 0.25 -1.29 0.00 0.00 177.43 176.04 1hxj h LEU 281 N -0.71 0.00 -1.05 0.34 5.85 -0.67 -3.40 115.31 115.67 1hxj h LEU 281 Ca 0.00 -0.45 0.22 0.00 0.84 0.00 0.00 57.88 58.49 1hxj h LEU 281 Cb 0.27 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.19 1hxj h LEU 281 CO 0.00 1.23 0.61 1.23 -0.34 0.00 0.00 178.44 181.17 1hxj h GLY 282 N -1.00 1.76 -0.98 3.75 0.00 -0.25 -2.22 103.07 104.13 1hxj h GLY 282 Ca -0.21 -0.32 0.14 0.00 0.00 0.00 0.00 47.33 46.93 1hxj h GLY 282 CO -0.13 -0.14 -0.44 -0.25 0.00 0.00 0.00 176.54 175.58 1hxj h TRP 283 N 0.65 -1.30 0.00 5.60 2.91 -0.62 -1.35 115.95 121.84 1hxj h TRP 283 Ca 0.60 0.11 -0.02 0.00 1.13 0.00 0.00 58.89 60.71 1hxj h TRP 283 Cb 1.08 0.71 -0.00 0.00 -0.51 0.00 0.00 29.16 30.44 1hxj h TRP 283 CO -0.00 -0.40 -2.00 1.19 -1.03 0.00 0.00 178.44 176.20 1hxj n PHE 284 N -5.41 0.00 0.01 2.65 3.72 -1.16 -4.44 117.46 112.83 1hxj n PHE 284 Ca 0.08 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.36 1hxj n PHE 284 Cb 0.36 -0.52 -0.09 0.00 -0.94 0.00 0.00 39.48 38.29 1hxj n PHE 284 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1hxj h LEU 285 N 0.00 -0.09 -1.54 4.37 5.85 -1.06 -3.28 115.31 119.57 1hxj h LEU 285 Ca -0.03 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.24 1hxj h LEU 285 Cb 1.05 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1hxj h LEU 285 CO 0.00 0.47 0.34 -0.33 -0.34 0.00 0.00 178.44 178.59 1hxj h GLU 286 N -0.69 0.59 -0.78 1.25 5.08 -1.50 -0.67 114.58 117.87 1hxj h GLU 286 Ca -0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1hxj h GLU 286 Cb 0.56 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1hxj h GLU 286 CO 0.02 0.39 0.41 -1.35 -1.00 0.00 0.00 179.01 177.48 1hxj h PRO 287 N 0.61 1.10 0.00 2.33 0.11 -1.57 0.33 132.00 134.91 1hxj h PRO 287 Ca 0.20 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1hxj h PRO 287 Cb 0.06 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.96 1hxj h PRO 287 CO -0.05 0.83 -0.09 -0.39 -0.21 0.00 0.00 178.00 178.09 1hxj h VAL 288 N 1.09 0.00 0.00 3.15 -1.51 -1.48 0.17 116.25 117.67 1hxj h VAL 288 Ca 0.27 -0.89 -0.05 0.00 -1.23 0.00 0.00 66.70 64.80 1hxj h VAL 288 Cb 0.06 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 1hxj h VAL 288 CO -0.04 0.00 -0.34 0.58 -1.23 0.00 0.00 177.57 176.54 1hxj h VAL 289 N 0.00 0.96 -0.00 7.19 2.07 -0.57 0.62 116.25 126.51 1hxj h VAL 289 Ca 0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1hxj h VAL 289 Cb 0.95 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1hxj h VAL 289 CO 0.00 0.33 -0.00 -2.11 0.02 0.00 0.00 177.57 175.80 1hxj n ARG 290 N -4.61 -0.27 -0.44 1.57 1.85 0.11 -3.63 116.66 111.24 1hxj n ARG 290 Ca -0.12 -0.53 0.00 0.00 -1.00 0.00 0.00 57.85 56.20 1hxj n ARG 290 Cb 0.39 -0.99 0.00 0.00 -1.05 0.00 0.00 32.46 30.81 1hxj n ARG 290 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1hxj n GLY 291 N 0.14 0.74 3.55 2.89 0.00 0.61 -4.70 105.19 108.42 1hxj n GLY 291 Ca 0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1hxj n GLY 291 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hxj s ASP 292 N -2.30 -0.33 0.79 1.61 2.15 -1.24 -4.55 116.67 112.79 1hxj s ASP 292 Ca 0.00 -0.08 -0.12 0.00 0.43 0.00 0.00 52.55 52.78 1hxj s ASP 292 Cb 0.00 0.41 0.07 0.00 -0.30 0.00 0.00 42.92 43.11 1hxj s ASP 292 CO 0.00 -0.69 1.13 -0.31 -0.17 0.00 0.00 175.17 175.13 1hxj s TYR 293 N -3.18 2.20 0.54 -5.34 2.02 -1.26 -2.50 117.35 109.83 1hxj s TYR 293 Ca 0.06 1.64 -0.22 0.00 -0.37 0.00 0.00 57.07 58.18 1hxj s TYR 293 Cb -0.01 -3.23 -0.05 0.00 -0.40 0.00 0.00 41.96 38.27 1hxj s TYR 293 CO -0.07 -2.23 1.37 -2.30 -1.57 0.00 0.00 175.55 170.75 1hxj n PRO 294 N -3.45 1.72 -0.17 -1.71 -0.02 -1.26 -4.84 135.00 125.28 1hxj n PRO 294 Ca 0.11 0.63 -0.03 0.00 -2.02 0.00 0.00 63.50 62.19 1hxj n PRO 294 Cb 0.52 -2.58 0.07 0.00 -0.02 0.00 0.00 33.50 31.49 1hxj n PRO 294 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1hxj h PHE 295 N 1.46 0.30 -0.74 6.00 3.57 -1.99 -1.95 116.94 123.58 1hxj h PHE 295 Ca -0.51 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.13 1hxj h PHE 295 Cb 1.30 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.91 1hxj h PHE 295 CO 0.45 0.09 0.36 0.66 -2.23 0.00 0.00 178.31 177.64 1hxj h SER 296 N 0.34 0.45 -0.48 0.41 4.64 -1.99 -0.72 113.55 116.20 1hxj h SER 296 Ca 0.25 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.59 1hxj h SER 296 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1hxj h SER 296 CO -0.26 0.24 0.09 0.24 -0.87 0.00 0.00 176.83 176.26 1hxj h MET 297 N 0.59 0.79 -0.14 4.77 2.86 -1.73 -1.77 114.93 120.30 1hxj h MET 297 Ca 0.38 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1hxj h MET 297 Cb 0.45 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1hxj h MET 297 CO -0.30 0.79 -0.22 0.00 1.06 0.00 0.00 176.91 178.24 1hxj h ARG 298 N 0.67 0.24 0.00 1.72 3.08 -0.85 0.79 114.38 120.02 1hxj h ARG 298 Ca 0.15 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1hxj h ARG 298 Cb 0.37 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1hxj h ARG 298 CO 0.01 0.45 -0.24 0.66 -1.07 0.00 0.00 179.97 179.78 1hxj h SER 299 N 0.22 0.00 0.00 7.04 4.64 -0.85 -2.90 113.55 121.70 1hxj h SER 299 Ca 0.04 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.01 1hxj h SER 299 Cb 0.51 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 1hxj h SER 299 CO 0.03 0.24 -2.25 0.18 -0.87 0.00 0.00 176.83 174.17 1hxj n LEU 300 N -3.19 2.43 0.13 5.97 4.77 -0.69 -4.54 117.00 121.88 1hxj n LEU 300 Ca 0.02 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1hxj n LEU 300 Cb 0.59 -0.72 0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1hxj n LEU 300 CO 0.36 0.71 0.45 0.00 -1.33 0.00 0.00 177.39 177.58 1hxj h ALA 301 N -0.33 0.68 -0.51 -1.18 0.00 -1.03 -3.48 119.26 113.41 1hxj h ALA 301 Ca -0.52 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1hxj h ALA 301 Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1hxj h ALA 301 CO -0.19 0.73 0.00 0.54 0.00 0.00 0.00 179.25 180.33 1hxj n ARG 302 N -3.33 0.00 0.19 0.00 5.12 -1.09 -1.51 116.66 116.02 1hxj n ARG 302 Ca 0.01 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.07 1hxj n ARG 302 Cb 0.72 0.00 0.59 0.00 -1.16 0.00 0.00 32.46 32.61 1hxj n ARG 302 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1hxj h GLU 303 N 0.00 0.00 0.00 5.56 9.09 -1.92 -2.26 114.58 125.05 1hxj h GLU 303 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1hxj h GLU 303 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1hxj h GLU 303 CO 0.00 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.60 1hxj n ARG 304 N -2.53 0.07 -3.73 1.06 1.74 -0.57 -4.49 116.66 108.21 1hxj n ARG 304 Ca 0.01 0.15 -0.38 0.00 -0.77 0.00 0.00 57.85 56.86 1hxj n ARG 304 Cb 0.23 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 29.95 1hxj n ARG 304 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1hxj s LEU 305 N -3.46 4.52 0.51 0.55 2.96 -0.85 -4.74 118.68 118.17 1hxj s LEU 305 Ca 0.10 -1.26 -0.22 0.00 -0.22 0.00 0.00 54.13 52.54 1hxj s LEU 305 Cb 0.14 -1.88 -0.07 0.00 0.50 0.00 0.00 46.19 44.88 1hxj s LEU 305 CO 0.46 -0.38 1.12 -2.65 -1.32 0.00 0.00 176.35 173.59 1hxj n PRO 306 N 4.81 1.38 -3.06 0.98 -0.02 -1.26 -4.88 135.00 132.95 1hxj n PRO 306 Ca -0.11 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 1hxj n PRO 306 Cb 0.44 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1hxj n PRO 306 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1hxj s PHE 307 N -1.35 3.46 -0.06 6.00 2.99 -1.26 -5.02 117.98 122.74 1hxj s PHE 307 Ca 0.69 0.92 -0.04 0.00 0.00 0.00 0.00 56.93 58.50 1hxj s PHE 307 Cb -0.47 -2.33 -0.04 0.00 0.00 0.00 0.00 43.02 40.18 1hxj s PHE 307 CO 0.52 0.02 0.13 -0.06 -0.00 0.00 0.00 175.22 175.83 1hxj s PHE 308 N -2.22 3.50 0.74 0.36 0.08 -1.26 -5.09 117.98 114.09 1hxj s PHE 308 Ca 0.49 0.39 -0.11 0.00 0.12 0.00 0.00 56.93 57.82 1hxj s PHE 308 Cb -0.10 -1.86 0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1hxj s PHE 308 CO 0.29 0.66 1.08 0.15 -0.10 0.00 0.00 175.22 177.30 1hxj s LYS 309 N -1.43 2.50 0.32 0.44 1.02 -1.26 -4.80 119.74 116.53 1hxj s LYS 309 Ca 0.20 1.10 -0.00 0.00 0.02 0.00 0.00 55.97 57.29 1hxj s LYS 309 Cb -0.12 -1.93 0.51 0.00 -0.52 0.00 0.00 37.83 35.77 1hxj s LYS 309 CO 0.10 -1.45 1.98 -0.44 -0.92 0.00 0.00 175.35 174.62 1hxj h ASP 310 N -0.95 0.86 -0.58 2.83 3.32 -1.99 -0.67 116.42 119.23 1hxj h ASP 310 Ca -0.44 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1hxj h ASP 310 Cb 1.22 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1hxj h ASP 310 CO 0.53 0.63 0.21 -0.08 -1.72 0.00 0.00 179.24 178.82 1hxj h GLU 311 N 1.01 0.92 -0.25 3.56 4.81 -2.00 -1.73 114.58 120.90 1hxj h GLU 311 Ca 0.27 -0.17 -0.20 0.00 -0.13 0.00 0.00 59.36 59.14 1hxj h GLU 311 Cb -0.10 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.13 1hxj h GLU 311 CO -0.06 0.78 -0.61 1.96 -0.73 0.00 0.00 179.01 180.35 1hxj h GLN 312 N 0.90 0.84 -0.99 1.92 4.20 -1.70 -2.73 115.11 117.54 1hxj h GLN 312 Ca 0.21 -0.57 0.04 0.00 0.06 0.00 0.00 58.65 58.38 1hxj h GLN 312 Cb 0.23 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.03 1hxj h GLN 312 CO -0.01 1.20 0.65 0.87 -0.67 0.00 0.00 178.83 180.86 1hxj h LYS 313 N 0.62 1.22 0.13 1.46 1.57 -0.78 -0.72 116.57 120.07 1hxj h LYS 313 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1hxj h LYS 313 Cb 1.22 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1hxj h LYS 313 CO 0.13 0.81 -0.06 1.49 -0.57 0.00 0.00 179.45 181.24 1hxj h GLU 314 N 1.26 -0.17 -0.11 3.15 4.57 -1.22 -1.35 114.58 120.71 1hxj h GLU 314 Ca 0.39 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.55 1hxj h GLU 314 Cb -0.01 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1hxj h GLU 314 CO -0.12 0.02 -0.09 0.87 -1.18 0.00 0.00 179.01 178.51 1hxj h LYS 315 N -0.34 0.16 -0.08 1.92 1.57 -1.25 -3.10 116.57 115.45 1hxj h LYS 315 Ca -0.02 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1hxj h LYS 315 Cb 0.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1hxj h LYS 315 CO 0.03 0.26 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.95 1hxj h LEU 316 N 0.16 0.27 -9.18 2.94 3.38 -0.91 -3.39 115.31 108.58 1hxj h LEU 316 Ca 0.03 -0.56 -0.56 0.00 0.09 0.00 0.00 57.88 56.89 1hxj h LEU 316 Cb 0.26 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1hxj h LEU 316 CO 0.01 0.78 1.34 0.00 0.09 0.00 0.00 178.44 180.67 1hxj n ALA 317 N -2.44 1.64 -1.56 1.53 0.00 -0.53 -1.88 120.51 117.28 1hxj n ALA 317 Ca -0.07 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1hxj n ALA 317 Cb 0.38 -2.78 -0.00 0.00 0.00 0.00 0.00 19.45 17.05 1hxj n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hxj n GLY 318 N 5.09 0.39 2.27 0.00 0.00 0.21 -4.92 105.19 108.23 1hxj n GLY 318 Ca 0.25 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1hxj n GLY 318 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hxj n SER 319 N 1.84 6.61 -3.50 1.61 3.41 -0.78 -4.82 113.62 117.98 1hxj n SER 319 Ca -0.01 -2.80 -0.09 0.00 -0.26 0.00 0.00 58.87 55.70 1hxj n SER 319 Cb 0.29 -1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 62.83 1hxj n SER 319 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1hxj s TYR 320 N 0.09 -0.37 -0.01 7.33 -0.85 -1.26 -4.74 117.35 117.54 1hxj s TYR 320 Ca 0.63 0.29 0.01 0.00 -0.52 0.00 0.00 57.07 57.48 1hxj s TYR 320 Cb 0.30 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 43.15 1hxj s TYR 320 CO -0.09 -0.55 0.02 0.09 -1.52 0.00 0.00 175.55 173.50 1hxj n ASN 321 N -0.12 3.71 -3.67 -0.18 3.02 0.54 -4.98 115.26 113.58 1hxj n ASN 321 Ca -0.10 -0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.24 1hxj n ASN 321 Cb 0.61 1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 40.79 1hxj n ASN 321 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hxj s MET 322 N -1.81 1.55 0.01 3.52 0.23 -1.23 -4.51 119.30 117.07 1hxj s MET 322 Ca -0.00 -0.77 0.00 0.00 -1.03 0.00 0.00 55.69 53.89 1hxj s MET 322 Cb 0.00 0.60 -0.01 0.00 -1.53 0.00 0.00 34.83 33.89 1hxj s MET 322 CO 0.03 -0.70 -0.03 -0.51 -2.03 0.00 0.00 175.02 171.78 1hxj s LEU 323 N -2.85 2.12 0.06 0.18 1.43 -0.61 -4.14 118.68 114.87 1hxj s LEU 323 Ca 0.07 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1hxj s LEU 323 Cb -0.04 -0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.13 1hxj s LEU 323 CO -0.02 -0.13 0.04 -0.83 0.23 0.00 0.00 176.35 175.65 1hxj s GLY 324 N -0.74 1.97 -0.10 -3.19 0.00 -0.11 -1.53 107.32 103.62 1hxj s GLY 324 Ca -0.07 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 1hxj s GLY 324 CO -0.00 -0.96 -0.07 1.08 0.00 0.00 0.00 173.10 173.15 1hxj s LEU 325 N -2.13 1.18 -0.55 0.66 1.43 -0.21 -0.86 118.68 118.21 1hxj s LEU 325 Ca 0.26 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 1hxj s LEU 325 Cb -0.12 -0.76 0.13 0.00 0.03 0.00 0.00 46.19 45.47 1hxj s LEU 325 CO 0.18 -0.10 0.52 0.20 0.23 0.00 0.00 176.35 177.38 1hxj s ASN 326 N 1.53 6.19 -0.16 2.29 0.01 0.65 -2.06 114.94 123.40 1hxj s ASN 326 Ca 0.01 -1.76 -0.03 0.00 -0.71 0.00 0.00 52.86 50.36 1hxj s ASN 326 Cb -0.13 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 1hxj s ASN 326 CO -0.05 -0.88 -0.05 -0.47 -1.51 0.00 0.00 177.10 174.14 1hxj s TYR 327 N 1.69 3.00 0.00 2.20 5.04 -0.60 -1.72 117.35 126.96 1hxj s TYR 327 Ca 0.04 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.31 1hxj s TYR 327 Cb -0.29 -1.95 0.00 0.00 0.35 0.00 0.00 41.96 40.06 1hxj s TYR 327 CO 0.03 -0.07 0.00 0.66 -1.34 0.00 0.00 175.55 174.83 1hxj n TYR 328 N 3.58 0.00 -3.54 4.97 4.02 -1.26 -4.16 117.16 120.77 1hxj n TYR 328 Ca -0.17 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.66 1hxj n TYR 328 Cb 0.52 0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 1hxj n TYR 328 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1hxj n THR 329 N -2.15 0.00 -4.37 -0.72 5.66 -1.26 -4.64 114.28 106.80 1hxj n THR 329 Ca 0.00 -0.61 -0.20 0.00 -3.05 0.00 0.00 64.05 60.19 1hxj n THR 329 Cb 0.27 0.48 -0.09 0.00 -1.55 0.00 0.00 70.33 69.44 1hxj n THR 329 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1hxj s SER 330 N -1.98 1.77 0.03 1.09 0.01 -1.26 -1.35 113.70 112.01 1hxj s SER 330 Ca 0.10 -1.57 -0.14 0.00 1.31 0.00 0.00 55.95 55.66 1hxj s SER 330 Cb -0.02 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.61 1hxj s SER 330 CO 0.07 -0.88 0.30 -0.13 0.41 0.00 0.00 173.24 173.01 1hxj s ARG 331 N -3.80 0.77 -0.04 12.44 1.81 -0.01 -4.85 118.95 125.28 1hxj s ARG 331 Ca 0.34 -0.45 -0.20 0.00 -1.72 0.00 0.00 55.73 53.71 1hxj s ARG 331 Cb 0.05 0.33 -0.05 0.00 -0.45 0.00 0.00 34.95 34.83 1hxj s ARG 331 CO 0.17 -0.24 0.56 -0.06 -0.68 0.00 0.00 175.30 175.05 1hxj s PHE 332 N -2.29 3.64 -0.22 -0.53 0.40 0.14 -1.36 117.98 117.76 1hxj s PHE 332 Ca -0.07 1.11 -0.10 0.00 -0.60 0.00 0.00 56.93 57.27 1hxj s PHE 332 Cb -0.02 -2.59 -0.05 0.00 0.51 0.00 0.00 43.02 40.87 1hxj s PHE 332 CO -0.02 0.31 0.14 -1.12 0.70 0.00 0.00 175.22 175.23 1hxj s SER 333 N 0.03 6.09 -0.15 1.36 0.01 0.43 0.44 113.70 121.90 1hxj s SER 333 Ca 0.30 0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.70 1hxj s SER 333 Cb -0.17 -2.09 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 1hxj s SER 333 CO 0.15 0.11 -0.14 -0.75 0.41 0.00 0.00 173.24 173.02 1hxj s LYS 334 N 0.81 3.27 0.43 12.44 2.20 -0.30 -1.14 119.74 137.45 1hxj s LYS 334 Ca 0.07 -0.73 -0.26 0.00 -0.36 0.00 0.00 55.97 54.70 1hxj s LYS 334 Cb -0.13 -2.65 -0.09 0.00 -1.51 0.00 0.00 37.83 33.46 1hxj s LYS 334 CO 0.02 0.06 1.38 -1.71 -0.36 0.00 0.00 175.35 174.74 1hxj n ASN 335 N 3.95 3.10 -3.87 1.43 5.15 -1.26 -1.37 115.26 122.39 1hxj n ASN 335 Ca -0.19 1.13 -0.25 0.00 -0.60 0.00 0.00 54.58 54.67 1hxj n ASN 335 Cb 0.52 -1.57 -0.17 0.00 -0.53 0.00 0.00 39.78 38.03 1hxj n ASN 335 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1hxj s ILE 336 N -1.18 0.81 0.49 -1.44 1.01 -0.92 -4.83 121.20 115.14 1hxj s ILE 336 Ca 0.60 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.89 1hxj s ILE 336 Cb -0.47 -0.87 -0.08 0.00 0.01 0.00 0.00 42.46 41.05 1hxj s ILE 336 CO 0.58 0.33 1.02 -1.81 0.00 0.00 0.00 174.94 175.06 1hxj s ASP 337 N 1.70 6.42 -0.16 3.58 -0.00 -1.26 -4.65 116.67 122.30 1hxj s ASP 337 Ca 0.03 1.83 -0.29 0.00 -0.00 0.00 0.00 52.55 54.12 1hxj s ASP 337 Cb -0.13 -2.55 -0.01 0.00 -0.00 0.00 0.00 42.92 40.24 1hxj s ASP 337 CO -0.06 -0.72 1.16 -0.63 -0.00 0.00 0.00 175.17 174.91 1hxj s ILE 338 N -2.14 4.44 0.23 0.77 1.01 -1.26 -4.87 121.20 119.38 1hxj s ILE 338 Ca 0.65 1.75 -0.22 0.00 0.00 0.00 0.00 60.65 62.83 1hxj s ILE 338 Cb -0.14 -4.13 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1hxj s ILE 338 CO 0.22 -0.11 0.66 -0.94 0.00 0.00 0.00 174.94 174.77 1hxj s SER 339 N 1.57 -0.39 0.00 3.58 1.04 -1.26 -5.02 113.70 113.22 1hxj s SER 339 Ca 0.51 -0.35 0.12 0.00 0.48 0.00 0.00 55.95 56.72 1hxj s SER 339 Cb -0.20 0.67 0.53 0.00 0.10 0.00 0.00 66.02 67.13 1hxj s SER 339 CO 0.14 -1.18 1.40 -0.81 0.98 0.00 0.00 173.24 173.76 1hxj n PRO 340 N -0.42 0.01 -0.42 4.02 -0.04 -1.26 -2.29 135.00 134.60 1hxj n PRO 340 Ca -0.10 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 1hxj n PRO 340 Cb 0.62 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.88 1hxj n PRO 340 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1hxj n ASN 341 N -1.49 3.83 -3.82 3.54 3.02 -1.26 -4.90 115.26 114.18 1hxj n ASN 341 Ca 0.03 -2.14 -0.13 0.00 -0.03 0.00 0.00 54.58 52.31 1hxj n ASN 341 Cb 0.14 -0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 38.69 1hxj n ASN 341 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1hxj s TYR 342 N -1.37 -0.05 -0.07 3.10 5.04 -0.97 -5.14 117.35 117.89 1hxj s TYR 342 Ca 0.45 0.19 -0.03 0.00 -2.44 0.00 0.00 57.07 55.24 1hxj s TYR 342 Cb 0.25 -0.06 0.03 0.00 0.35 0.00 0.00 41.96 42.54 1hxj s TYR 342 CO 0.27 -0.07 0.15 0.45 -1.34 0.00 0.00 175.55 175.02 1hxj s SER 343 N 0.46 -0.13 0.41 4.32 0.15 -1.26 -4.63 113.70 113.02 1hxj s SER 343 Ca -0.04 0.31 -0.26 0.00 0.70 0.00 0.00 55.95 56.66 1hxj s SER 343 Cb -0.05 0.23 -0.09 0.00 -1.71 0.00 0.00 66.02 64.40 1hxj s SER 343 CO -0.02 -0.12 1.32 -2.84 1.20 0.00 0.00 173.24 172.78 1hxj s PRO 344 N 0.91 3.95 -0.14 5.44 0.02 -1.26 -4.96 135.00 138.95 1hxj s PRO 344 Ca -0.07 2.21 -0.05 0.00 0.02 0.00 0.00 61.00 63.10 1hxj s PRO 344 Cb -0.09 -2.76 -0.07 0.00 0.02 0.00 0.00 34.50 31.60 1hxj s PRO 344 CO -0.05 -0.53 -0.17 0.28 -0.33 0.00 0.00 177.00 176.20 1hxj n VAL 345 N 0.12 0.79 -3.99 3.83 0.31 -1.26 -5.03 118.33 113.10 1hxj n VAL 345 Ca 0.04 -0.22 -0.25 0.00 -0.01 0.00 0.00 64.34 63.89 1hxj n VAL 345 Cb 0.43 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.78 1hxj n VAL 345 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1hxj s LEU 346 N -6.57 4.19 0.39 7.52 1.43 -1.26 -4.19 118.68 120.19 1hxj s LEU 346 Ca -0.20 0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.06 1hxj s LEU 346 Cb 0.07 -2.76 0.86 0.00 0.03 0.00 0.00 46.19 44.39 1hxj s LEU 346 CO 0.27 0.03 1.96 -0.55 0.23 0.00 0.00 176.35 178.29 1hxj h ASN 347 N 2.00 0.54 0.54 2.29 -1.07 -1.76 0.22 115.58 118.34 1hxj h ASN 347 Ca -0.49 0.01 0.00 0.00 0.07 0.00 0.00 56.30 55.89 1hxj h ASN 347 Cb 1.20 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 1hxj h ASN 347 CO 0.66 0.34 0.00 0.35 0.07 0.00 0.00 177.43 178.85 1hxj n THR 348 N -4.48 0.92 0.43 6.14 -2.24 -1.26 -1.83 114.28 111.96 1hxj n THR 348 Ca 0.10 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.25 1hxj n THR 348 Cb 0.29 -0.96 0.37 0.00 -2.10 0.00 0.00 70.33 67.93 1hxj n THR 348 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1hxj h ASP 349 N 0.00 0.00 0.19 3.42 3.45 -0.91 -3.20 116.42 119.37 1hxj h ASP 349 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1hxj h ASP 349 Cb 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1hxj h ASP 349 CO 0.00 0.00 0.00 0.47 -1.57 0.00 0.00 179.24 178.14 1hxj n ASP 350 N -2.62 0.00 -0.15 6.45 8.00 -0.76 -1.62 116.55 125.84 1hxj n ASP 350 Ca 0.04 0.42 0.14 0.00 0.71 0.00 0.00 54.79 56.10 1hxj n ASP 350 Cb 0.42 -0.45 0.58 0.00 -0.02 0.00 0.00 41.12 41.66 1hxj n ASP 350 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hxj n ALA 351 N -1.45 2.80 -3.85 2.24 0.00 -1.21 -4.76 120.51 114.27 1hxj n ALA 351 Ca 0.02 -0.30 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 1hxj n ALA 351 Cb 0.07 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.23 1hxj n ALA 351 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hxj n TYR 352 N -0.84 -1.72 -3.63 0.00 4.02 -0.64 -4.69 117.16 109.66 1hxj n TYR 352 Ca 0.15 0.50 -0.10 0.00 -0.01 0.00 0.00 57.90 58.44 1hxj n TYR 352 Cb 0.29 -3.44 -0.07 0.00 -0.02 0.00 0.00 39.34 36.10 1hxj n TYR 352 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1hxj s ALA 353 N -3.68 -1.94 -0.11 -0.72 0.00 -1.26 -2.16 121.76 111.89 1hxj s ALA 353 Ca 0.30 1.85 -0.09 0.00 0.00 0.00 0.00 51.96 54.02 1hxj s ALA 353 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1hxj s ALA 353 CO 0.89 -0.26 0.18 -1.54 0.00 0.00 0.00 175.76 175.03 1hxj s SER 354 N 0.07 6.44 -0.35 0.00 1.04 -0.47 -4.87 113.70 115.56 1hxj s SER 354 Ca 0.02 0.53 -0.16 0.00 0.48 0.00 0.00 55.95 56.81 1hxj s SER 354 Cb -0.04 -2.10 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 1hxj s SER 354 CO -0.04 0.37 0.41 -1.10 0.98 0.00 0.00 173.24 173.86 1hxj s GLN 355 N -0.87 3.57 -0.05 4.02 -1.52 -1.26 -1.15 119.66 122.39 1hxj s GLN 355 Ca 0.16 -0.34 -0.00 0.00 -1.95 0.00 0.00 55.36 53.23 1hxj s GLN 355 Cb -0.13 -3.81 -0.03 0.00 -0.22 0.00 0.00 33.01 28.82 1hxj s GLN 355 CO 0.05 -0.57 -0.01 -1.21 -0.25 0.00 0.00 175.29 173.30 1hxj s GLU 356 N 2.14 2.88 0.00 2.91 0.41 0.17 -4.89 118.70 122.33 1hxj s GLU 356 Ca 0.14 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.21 1hxj s GLU 356 Cb -0.16 -2.72 -0.26 0.00 -1.78 0.00 0.00 34.13 29.20 1hxj s GLU 356 CO 0.12 0.67 0.85 0.28 -0.49 0.00 0.00 175.26 176.69 1hxj h VAL 357 N 3.95 1.14 -3.10 2.63 2.07 -1.91 0.41 116.25 121.45 1hxj h VAL 357 Ca -0.50 -2.83 -0.66 0.00 0.82 0.00 0.00 66.70 63.53 1hxj h VAL 357 Cb 1.18 2.71 -0.13 0.00 -1.52 0.00 0.00 31.29 33.53 1hxj h VAL 357 CO 0.55 0.79 -0.56 0.20 0.02 0.00 0.00 177.57 178.57 1hxj s ASN 358 N -6.82 5.70 0.97 0.57 0.02 -1.26 -0.48 114.94 113.64 1hxj s ASN 358 Ca -0.08 0.23 -0.16 0.00 -1.02 0.00 0.00 52.86 51.83 1hxj s ASN 358 Cb 0.07 -1.80 0.21 0.00 0.02 0.00 0.00 41.25 39.76 1hxj s ASN 358 CO 0.84 0.33 1.33 -0.83 0.02 0.00 0.00 177.10 178.79 1hxj s GLY 359 N -0.56 1.81 0.20 0.66 0.00 -0.07 -4.88 107.32 104.49 1hxj s GLY 359 Ca 0.11 -1.32 0.14 0.00 0.00 0.00 0.00 44.72 43.65 1hxj s GLY 359 CO 0.02 -0.52 1.42 -1.55 0.00 0.00 0.00 173.10 172.48 1hxj n PRO 360 N -3.78 0.09 -0.08 2.90 -0.04 -1.26 -0.97 135.00 131.85 1hxj n PRO 360 Ca 0.16 0.58 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1hxj n PRO 360 Cb 0.59 -1.79 0.28 0.00 -0.04 0.00 0.00 33.50 32.55 1hxj n PRO 360 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1hxj n ASP 361 N -1.97 2.54 0.00 3.54 5.75 -1.26 -4.93 116.55 120.21 1hxj n ASP 361 Ca -0.01 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1hxj n ASP 361 Cb 0.03 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1hxj n ASP 361 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hxj n GLY 362 N 1.31 0.54 3.66 6.12 0.00 -0.14 -5.04 105.19 111.64 1hxj n GLY 362 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1hxj n GLY 362 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hxj s LYS 363 N -0.04 2.80 0.53 1.61 1.02 -1.26 -4.84 119.74 119.57 1hxj s LYS 363 Ca 0.00 -0.57 -0.21 0.00 0.02 0.00 0.00 55.97 55.21 1hxj s LYS 363 Cb 0.00 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1hxj s LYS 363 CO 0.00 0.64 1.24 -1.25 -0.92 0.00 0.00 175.35 175.06 1hxj s PRO 364 N -1.33 3.29 0.48 -1.68 0.04 -1.26 -0.89 135.00 133.65 1hxj s PRO 364 Ca 0.17 1.94 0.24 0.00 0.04 0.00 0.00 61.00 63.39 1hxj s PRO 364 Cb -0.11 -2.19 1.28 0.00 0.04 0.00 0.00 34.50 33.51 1hxj s PRO 364 CO 0.07 -0.98 1.87 0.97 0.04 0.00 0.00 177.00 178.98 1hxj h ILE 365 N 1.39 0.62 -3.14 0.56 2.10 -1.13 -3.44 117.51 114.46 1hxj h ILE 365 Ca -0.50 -0.07 -0.08 0.00 1.08 0.00 0.00 64.86 65.29 1hxj h ILE 365 Cb 1.28 0.39 -0.01 0.00 -1.09 0.00 0.00 36.82 37.40 1hxj h ILE 365 CO 0.57 0.04 0.17 0.61 -1.08 0.00 0.00 178.15 178.47 1hxj n GLY 366 N -1.61 1.28 3.75 8.18 0.00 -1.26 -4.90 105.19 110.64 1hxj n GLY 366 Ca 0.19 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1hxj n GLY 366 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hxj s PRO 367 N -2.23 4.39 0.24 1.61 0.02 -1.21 -4.55 135.00 133.28 1hxj s PRO 367 Ca 0.18 2.12 -0.30 0.00 0.02 0.00 0.00 61.00 63.02 1hxj s PRO 367 Cb -0.04 -3.14 -0.09 0.00 0.02 0.00 0.00 34.50 31.25 1hxj s PRO 367 CO 0.13 -0.20 1.29 -1.25 -0.33 0.00 0.00 177.00 176.63 1hxj s PRO 368 N -0.90 4.41 0.00 5.54 0.04 -1.26 -0.31 135.00 142.52 1hxj s PRO 368 Ca 0.53 2.07 0.26 0.00 0.04 0.00 0.00 61.00 63.90 1hxj s PRO 368 Cb -0.38 -3.16 0.63 0.00 0.04 0.00 0.00 34.50 31.63 1hxj s PRO 368 CO 0.45 -0.18 1.49 -1.33 0.04 0.00 0.00 177.00 177.46 1hxj n MET 369 N 1.96 1.37 0.00 4.56 2.81 -0.12 -4.88 117.12 122.82 1hxj n MET 369 Ca 0.04 -0.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.99 1hxj n MET 369 Cb 0.43 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1hxj n MET 369 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hxj n GLY 370 N 1.31 3.35 3.45 3.03 0.00 -1.26 -4.79 105.19 110.27 1hxj n GLY 370 Ca 0.14 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 1hxj n GLY 370 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hxj n ASN 371 N 0.00 0.25 0.14 1.61 2.04 -1.25 -4.80 115.26 113.24 1hxj n ASN 371 Ca 0.00 -1.51 0.12 0.00 -0.44 0.00 0.00 54.58 52.74 1hxj n ASN 371 Cb 0.00 -0.86 0.51 0.00 -2.53 0.00 0.00 39.78 36.90 1hxj n ASN 371 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1hxj n PRO 372 N -3.39 0.19 0.00 -0.53 -0.04 -1.26 -4.19 135.00 125.78 1hxj n PRO 372 Ca 0.15 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1hxj n PRO 372 Cb 0.52 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1hxj n PRO 372 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1hxj n TRP 373 N -2.25 0.00 -3.08 0.54 4.27 -1.26 -5.03 117.44 110.63 1hxj n TRP 373 Ca 0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.21 1hxj n TRP 373 Cb 0.20 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.08 1hxj n TRP 373 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1hxj s ILE 374 N -0.57 4.86 -0.13 -1.67 1.01 -1.26 -4.91 121.20 118.53 1hxj s ILE 374 Ca 0.00 0.66 0.03 0.00 0.00 0.00 0.00 60.65 61.33 1hxj s ILE 374 Cb 0.00 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1hxj s ILE 374 CO 0.00 -0.33 -0.22 -0.31 0.00 0.00 0.00 174.94 174.08 1hxj s TYR 375 N 2.78 2.57 -0.14 3.97 1.51 -1.26 -0.95 117.35 125.83 1hxj s TYR 375 Ca 0.26 -1.23 -0.29 0.00 -1.01 0.00 0.00 57.07 54.80 1hxj s TYR 375 Cb -0.14 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1hxj s TYR 375 CO 0.15 -0.55 1.53 1.41 -1.11 0.00 0.00 175.55 176.98 1hxj s MET 376 N 0.69 4.06 -0.45 -0.62 1.75 0.58 -4.16 119.30 121.16 1hxj s MET 376 Ca -0.10 1.85 0.07 0.00 -1.25 0.00 0.00 55.69 56.26 1hxj s MET 376 Cb -0.16 -3.94 0.24 0.00 2.84 0.00 0.00 34.83 33.80 1hxj s MET 376 CO 0.01 -0.96 0.70 0.98 -0.65 0.00 0.00 175.02 175.10 1hxj n TYR 377 N 7.44 -2.04 -0.34 4.11 9.36 -1.26 -3.28 117.16 131.14 1hxj n TYR 377 Ca 0.17 -2.55 0.19 0.00 3.32 0.00 0.00 57.90 59.03 1hxj n TYR 377 Cb 0.44 0.71 0.41 0.00 -0.63 0.00 0.00 39.34 40.28 1hxj n TYR 377 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1hxj h PRO 378 N 4.14 0.51 -0.94 2.98 0.11 -1.93 0.80 132.00 137.66 1hxj h PRO 378 Ca -0.03 -0.03 0.23 0.00 0.11 0.00 0.00 66.00 66.28 1hxj h PRO 378 Cb 0.97 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.89 1hxj h PRO 378 CO 0.37 0.34 0.63 0.93 -0.21 0.00 0.00 178.00 180.05 1hxj h GLU 379 N 0.52 0.33 -0.70 1.05 5.08 -1.96 0.26 114.58 119.16 1hxj h GLU 379 Ca 0.66 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 59.00 1hxj h GLU 379 Cb 1.33 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1hxj h GLU 379 CO -0.48 0.22 0.47 0.78 -1.00 0.00 0.00 179.01 179.00 1hxj h GLY 380 N 0.34 0.99 1.12 -3.84 0.00 -1.23 -0.51 103.07 99.94 1hxj h GLY 380 Ca 0.50 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 1hxj h GLY 380 CO -0.18 0.36 -0.09 -2.00 0.00 0.00 0.00 176.54 174.63 1hxj h LEU 381 N 0.95 1.03 -0.60 3.11 5.85 -0.61 -1.05 115.31 123.99 1hxj h LEU 381 Ca 0.26 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1hxj h LEU 381 Cb -0.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 1hxj h LEU 381 CO -0.06 1.13 0.25 0.50 -0.34 0.00 0.00 178.44 179.92 1hxj h LYS 382 N 0.93 0.89 -0.39 1.25 3.64 -1.11 -0.49 116.57 121.29 1hxj h LYS 382 Ca 0.15 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1hxj h LYS 382 Cb 0.65 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1hxj h LYS 382 CO 0.05 0.76 0.23 -0.44 -2.27 0.00 0.00 179.45 177.77 1hxj h ASP 383 N 0.83 0.37 -0.42 4.20 3.32 -0.85 -0.73 116.42 123.14 1hxj h ASP 383 Ca 0.20 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.27 1hxj h ASP 383 Cb 0.19 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1hxj h ASP 383 CO -0.02 0.27 0.25 0.25 -1.72 0.00 0.00 179.24 178.27 1hxj h LEU 384 N 0.47 0.40 -1.04 1.55 5.85 -0.80 -1.76 115.31 119.98 1hxj h LEU 384 Ca 0.16 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1hxj h LEU 384 Cb 0.01 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1hxj h LEU 384 CO -0.07 0.29 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.11 1hxj h LEU 385 N 0.50 0.51 -1.05 2.25 3.38 -0.71 -1.59 115.31 118.60 1hxj h LEU 385 Ca 0.17 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1hxj h LEU 385 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1hxj h LEU 385 CO -0.08 0.68 -0.47 0.24 0.09 0.00 0.00 178.44 178.90 1hxj h MET 386 N 0.48 0.00 -0.21 1.13 2.86 -0.81 -1.23 114.93 117.15 1hxj h MET 386 Ca 0.09 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1hxj h MET 386 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1hxj h MET 386 CO 0.03 0.47 -0.29 0.82 1.06 0.00 0.00 176.91 179.00 1hxj h ILE 387 N 0.00 1.33 -0.67 -1.22 2.04 -0.74 0.76 117.51 119.01 1hxj h ILE 387 Ca -0.00 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1hxj h ILE 387 Cb 0.84 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 1hxj h ILE 387 CO 0.06 0.46 0.28 0.24 0.00 0.00 0.00 178.15 179.19 1hxj h MET 388 N 0.25 0.97 0.40 2.37 2.86 -1.09 0.14 114.93 120.82 1hxj h MET 388 Ca 0.02 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1hxj h MET 388 Cb 0.87 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1hxj h MET 388 CO 0.07 0.78 -0.19 -0.22 1.06 0.00 0.00 176.91 178.41 1hxj h LYS 389 N 0.96 -0.51 0.00 1.72 3.64 -1.09 0.18 116.57 121.46 1hxj h LYS 389 Ca 0.23 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1hxj h LYS 389 Cb 0.16 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1hxj h LYS 389 CO -0.02 -0.21 -0.57 -0.91 -2.27 0.00 0.00 179.45 175.46 1hxj h ASN 390 N -0.99 0.00 0.00 4.20 -0.26 -0.86 -3.04 115.58 114.64 1hxj h ASN 390 Ca -0.05 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.46 1hxj h ASN 390 Cb 0.54 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.76 1hxj h ASN 390 CO 0.09 0.46 -1.85 1.17 -1.06 0.00 0.00 177.43 176.24 1hxj n LYS 391 N -3.17 0.84 -0.94 0.81 4.81 0.46 -4.76 118.16 116.21 1hxj n LYS 391 Ca 0.01 0.06 -0.10 0.00 -0.87 0.00 0.00 58.31 57.41 1hxj n LYS 391 Cb 0.73 -1.30 0.20 0.00 0.02 0.00 0.00 35.03 34.67 1hxj n LYS 391 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1hxj n TYR 392 N -2.80 1.72 -0.86 5.64 4.01 -1.08 -4.95 117.16 118.83 1hxj n TYR 392 Ca -0.25 -1.66 0.00 0.00 -0.16 0.00 0.00 57.90 55.84 1hxj n TYR 392 Cb 0.81 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1hxj n TYR 392 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hxj n GLY 393 N -1.10 0.84 3.70 2.72 0.00 -1.21 -4.32 105.19 105.82 1hxj n GLY 393 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 1hxj n GLY 393 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hxj n ASN 394 N 0.00 -3.85 -4.89 1.61 4.05 0.61 -4.97 115.26 107.82 1hxj n ASN 394 Ca 0.00 -0.96 -0.29 0.00 0.45 0.00 0.00 54.58 53.78 1hxj n ASN 394 Cb 0.00 -3.58 0.06 0.00 1.23 0.00 0.00 39.78 37.49 1hxj n ASN 394 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1hxj s PRO 395 N -5.95 2.56 0.13 1.20 0.04 -1.26 -4.72 135.00 126.99 1hxj s PRO 395 Ca 0.31 0.29 -0.34 0.00 0.04 0.00 0.00 61.00 61.30 1hxj s PRO 395 Cb -0.10 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 1hxj s PRO 395 CO 0.85 -1.19 1.65 -2.30 0.04 0.00 0.00 177.00 176.05 1hxj n PRO 396 N -3.06 2.26 -5.04 0.56 -0.02 -1.26 -4.69 135.00 123.74 1hxj n PRO 396 Ca 0.07 0.82 -0.29 0.00 -2.02 0.00 0.00 63.50 62.08 1hxj n PRO 396 Cb 0.58 -2.61 -0.16 0.00 -0.02 0.00 0.00 33.50 31.29 1hxj n PRO 396 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1hxj s ILE 397 N 1.53 1.72 -0.10 4.25 -1.09 -0.98 -1.57 121.20 124.97 1hxj s ILE 397 Ca 0.81 -0.88 0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1hxj s ILE 397 Cb -0.65 -1.47 0.01 0.00 -1.58 0.00 0.00 42.46 38.77 1hxj s ILE 397 CO 0.39 0.49 -0.18 -0.31 -1.23 0.00 0.00 174.94 174.10 1hxj s TYR 398 N -0.05 2.12 -1.01 3.97 1.51 -0.58 0.65 117.35 123.96 1hxj s TYR 398 Ca -0.04 -0.90 -0.23 0.00 -1.01 0.00 0.00 57.07 54.89 1hxj s TYR 398 Cb -0.13 -1.47 0.06 0.00 -0.11 0.00 0.00 41.96 40.31 1hxj s TYR 398 CO 0.03 -0.41 1.42 0.42 -1.11 0.00 0.00 175.55 175.90 1hxj s ILE 399 N 0.63 3.99 -1.33 2.71 -1.09 -0.15 -1.04 121.20 124.92 1hxj s ILE 399 Ca -0.14 -0.83 0.15 0.00 -2.23 0.00 0.00 60.65 57.61 1hxj s ILE 399 Cb -0.16 -5.04 0.23 0.00 -1.58 0.00 0.00 42.46 35.91 1hxj s ILE 399 CO 0.04 -1.90 1.44 0.35 -1.23 0.00 0.00 174.94 173.64 1hxj n THR 400 N 6.77 0.66 -3.64 2.92 -2.24 -0.87 -0.19 114.28 117.69 1hxj n THR 400 Ca 0.32 0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 62.17 1hxj n THR 400 Cb 0.51 -0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 67.76 1hxj n THR 400 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hxj s GLU 401 N -2.67 0.71 -0.29 -0.78 2.02 -1.23 -4.70 118.70 111.76 1hxj s GLU 401 Ca 0.13 0.98 -0.18 0.00 0.02 0.00 0.00 54.97 55.92 1hxj s GLU 401 Cb 0.10 0.28 0.14 0.00 0.10 0.00 0.00 34.13 34.75 1hxj s GLU 401 CO 0.24 -0.11 1.01 1.21 0.02 0.00 0.00 175.26 177.63 1hxj s ASN 402 N 0.82 -0.47 0.00 -0.19 3.84 -1.12 -1.56 114.94 116.26 1hxj s ASN 402 Ca -0.03 0.78 0.00 0.00 0.21 0.00 0.00 52.86 53.82 1hxj s ASN 402 Cb -0.05 1.10 0.00 0.00 -0.55 0.00 0.00 41.25 41.75 1hxj s ASN 402 CO -0.08 -0.13 0.00 0.61 -2.79 0.00 0.00 177.10 174.72 1hxj n GLY 403 N 3.32 -1.59 3.10 1.21 0.00 -1.26 0.07 105.19 110.04 1hxj n GLY 403 Ca -0.17 -1.17 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 1hxj n GLY 403 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hxj s ILE 404 N -2.82 0.26 -0.19 -0.61 -4.36 -1.26 -4.91 121.20 107.31 1hxj s ILE 404 Ca 0.00 -1.81 -0.05 0.00 -0.26 0.00 0.00 60.65 58.53 1hxj s ILE 404 Cb 0.00 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.16 1hxj s ILE 404 CO 0.00 -0.99 -0.01 -0.83 0.24 0.00 0.00 174.94 173.35 1hxj s GLY 405 N -2.92 1.71 -0.20 6.27 0.00 -1.26 -4.26 107.32 106.66 1hxj s GLY 405 Ca 0.07 -0.96 -0.22 0.00 0.00 0.00 0.00 44.72 43.61 1hxj s GLY 405 CO -0.09 0.17 0.70 0.99 0.00 0.00 0.00 173.10 174.86 1hxj s ASP 406 N 0.87 6.75 0.16 1.64 1.01 0.30 -3.87 116.67 123.54 1hxj s ASP 406 Ca 0.00 0.92 -0.31 0.00 0.71 0.00 0.00 52.55 53.87 1hxj s ASP 406 Cb -0.14 -2.38 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 1hxj s ASP 406 CO 0.02 -0.33 1.47 -0.69 0.21 0.00 0.00 175.17 175.84 1hxj s VAL 407 N 2.11 2.90 -0.27 -1.27 1.01 -1.26 -1.13 120.40 122.48 1hxj s VAL 407 Ca 0.31 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 1hxj s VAL 407 Cb -0.16 -3.43 0.13 0.00 0.00 0.00 0.00 36.38 32.93 1hxj s VAL 407 CO 0.10 0.06 0.32 -0.62 0.00 0.00 0.00 175.10 174.96 1hxj s ASP 408 N 0.95 1.20 0.40 3.32 3.68 0.45 -4.63 116.67 122.04 1hxj s ASP 408 Ca 0.66 -0.47 0.04 0.00 2.13 0.00 0.00 52.55 54.90 1hxj s ASP 408 Cb -0.41 0.68 -0.04 0.00 -1.45 0.00 0.00 42.92 41.71 1hxj s ASP 408 CO 0.33 -0.36 0.07 0.42 0.13 0.00 0.00 175.17 175.76 1hxj s THR 409 N 2.42 1.07 0.18 1.71 -4.23 -0.86 -4.16 115.64 111.76 1hxj s THR 409 Ca 0.10 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.51 1hxj s THR 409 Cb -0.14 -2.53 0.09 0.00 1.34 0.00 0.00 72.50 71.26 1hxj s THR 409 CO -0.27 0.00 1.68 0.50 -0.54 0.00 0.00 174.62 175.99 1hxj h LYS 410 N 1.80 1.06 0.00 3.99 3.64 -1.99 -1.17 116.57 123.90 1hxj h LYS 410 Ca -0.40 -0.28 -0.20 0.00 -1.27 0.00 0.00 60.65 58.50 1hxj h LYS 410 Cb 1.27 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1hxj h LYS 410 CO 0.67 0.97 -0.96 0.93 -2.27 0.00 0.00 179.45 178.80 1hxj h GLU 411 N 0.98 0.00 -2.38 1.90 5.08 -2.05 -3.37 114.58 114.73 1hxj h GLU 411 Ca 0.20 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.96 1hxj h GLU 411 Cb 0.42 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.26 1hxj h GLU 411 CO 0.01 0.96 -0.76 2.41 -1.00 0.00 0.00 179.01 180.62 1hxj n THR 412 N -3.36 0.96 -1.79 1.13 -1.04 -1.13 -5.10 114.28 103.96 1hxj n THR 412 Ca 0.00 -4.60 -0.42 0.00 -2.04 0.00 0.00 64.05 57.00 1hxj n THR 412 Cb 0.92 -2.02 -0.02 0.00 -1.82 0.00 0.00 70.33 67.38 1hxj n THR 412 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1hxj s PRO 413 N -1.57 4.13 -0.43 -2.82 0.02 -0.45 -2.03 135.00 131.84 1hxj s PRO 413 Ca 0.34 2.56 -0.17 0.00 0.02 0.00 0.00 61.00 63.76 1hxj s PRO 413 Cb 0.09 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.60 1hxj s PRO 413 CO -0.10 -0.65 0.41 -1.17 -0.33 0.00 0.00 177.00 175.16 1hxj s LEU 414 N -0.06 5.04 0.25 -5.54 2.96 -1.26 -4.90 118.68 115.17 1hxj s LEU 414 Ca 0.66 -0.84 -0.31 0.00 -0.22 0.00 0.00 54.13 53.42 1hxj s LEU 414 Cb -0.48 -2.30 -0.13 0.00 0.50 0.00 0.00 46.19 43.78 1hxj s LEU 414 CO 0.43 -0.58 1.40 -2.65 -1.32 0.00 0.00 176.35 173.63 1hxj n PRO 415 N 5.47 2.05 -0.28 0.98 -0.02 -1.26 -4.72 135.00 137.21 1hxj n PRO 415 Ca -0.09 0.73 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1hxj n PRO 415 Cb 0.47 -2.38 0.21 0.00 -0.02 0.00 0.00 33.50 31.77 1hxj n PRO 415 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1hxj h MET 416 N 4.06 0.58 -1.00 -0.52 4.05 -1.98 0.18 114.93 120.30 1hxj h MET 416 Ca -0.45 -0.03 0.06 0.00 -0.28 0.00 0.00 59.70 58.99 1hxj h MET 416 Cb 1.28 -0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 31.88 1hxj h MET 416 CO 0.74 0.38 0.65 1.49 0.23 0.00 0.00 176.91 180.40 1hxj h GLU 417 N 0.59 1.16 -0.27 0.39 4.81 -1.99 0.23 114.58 119.50 1hxj h GLU 417 Ca 0.44 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.43 1hxj h GLU 417 Cb 0.61 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1hxj h GLU 417 CO -0.36 0.77 -0.51 0.00 -0.73 0.00 0.00 179.01 178.19 1hxj h ALA 418 N 1.44 0.59 -0.26 2.92 0.00 -1.30 -1.40 119.26 121.26 1hxj h ALA 418 Ca 0.42 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1hxj h ALA 418 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1hxj h ALA 418 CO -0.16 0.68 -0.15 0.00 0.00 0.00 0.00 179.25 179.62 1hxj h ALA 419 N 0.83 1.26 -0.01 0.00 0.00 0.30 -2.86 119.26 118.78 1hxj h ALA 419 Ca 0.02 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 1hxj h ALA 419 Cb 1.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1hxj h ALA 419 CO 0.11 0.48 -0.89 -0.07 0.00 0.00 0.00 179.25 178.89 1hxj h LEU 420 N 0.40 0.46 -5.91 0.00 3.38 -0.43 -3.31 115.31 109.89 1hxj h LEU 420 Ca 0.07 -0.35 -0.74 0.00 0.09 0.00 0.00 57.88 56.95 1hxj h LEU 420 Cb 0.51 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.00 1hxj h LEU 420 CO 0.03 1.14 2.42 0.59 0.09 0.00 0.00 178.44 182.72 1hxj n ASN 421 N -3.74 6.79 -3.63 -0.43 3.02 -0.54 -0.76 115.26 115.97 1hxj n ASN 421 Ca -0.05 -3.07 -0.41 0.00 -0.03 0.00 0.00 54.58 51.01 1hxj n ASN 421 Cb 0.80 -1.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.53 1hxj n ASN 421 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1hxj n ASP 422 N 2.89 5.72 0.19 6.41 3.85 -1.25 -4.74 116.55 129.62 1hxj n ASP 422 Ca 0.55 -2.86 0.03 0.00 -0.71 0.00 0.00 54.79 51.80 1hxj n ASP 422 Cb 0.30 -1.57 0.40 0.00 -1.35 0.00 0.00 41.12 38.89 1hxj n ASP 422 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.20 176.29 1hxj h TYR 423 N 5.57 0.00 -0.39 2.11 -0.00 -1.89 -1.99 116.97 120.37 1hxj h TYR 423 Ca 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.28 1hxj h TYR 423 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.23 1hxj h TYR 423 CO 1.54 0.33 -0.02 0.87 -0.00 0.00 0.00 178.16 180.88 1hxj h LYS 424 N 0.00 0.71 -0.39 0.10 1.57 -1.99 -0.92 116.57 115.65 1hxj h LYS 424 Ca -0.00 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1hxj h LYS 424 Cb 0.60 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1hxj h LYS 424 CO 0.04 0.81 0.20 -0.09 -0.57 0.00 0.00 179.45 179.85 1hxj h ARG 425 N 0.53 0.56 -0.05 3.15 2.43 -1.89 -0.42 114.38 118.70 1hxj h ARG 425 Ca 0.11 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1hxj h ARG 425 Cb 0.51 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1hxj h ARG 425 CO 0.02 0.48 -0.08 1.25 -1.51 0.00 0.00 179.97 180.13 1hxj h LEU 426 N 0.50 -0.25 -0.70 3.80 5.85 -1.22 0.18 115.31 123.47 1hxj h LEU 426 Ca 0.14 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1hxj h LEU 426 Cb 0.10 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1hxj h LEU 426 CO -0.02 -0.12 0.43 -0.78 -0.34 0.00 0.00 178.44 177.61 1hxj h ASP 427 N -0.12 0.69 -0.35 1.25 3.58 -0.99 -0.33 116.42 120.16 1hxj h ASP 427 Ca 0.05 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1hxj h ASP 427 Cb 0.19 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1hxj h ASP 427 CO -0.12 0.47 0.17 0.22 -2.88 0.00 0.00 179.24 177.10 1hxj h TYR 428 N 0.83 0.50 -0.12 0.28 5.03 -0.51 -1.43 116.97 121.55 1hxj h TYR 428 Ca 0.29 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.58 1hxj h TYR 428 Cb 0.06 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 1hxj h TYR 428 CO -0.05 0.43 0.07 0.82 -1.32 0.00 0.00 178.16 178.11 1hxj h ILE 429 N 0.42 1.09 -0.82 1.81 2.04 -0.23 -2.42 117.51 119.40 1hxj h ILE 429 Ca 0.12 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1hxj h ILE 429 Cb 0.12 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1hxj h ILE 429 CO -0.02 0.08 0.52 1.56 0.00 0.00 0.00 178.15 180.29 1hxj h GLN 430 N 0.10 0.96 -0.67 2.37 4.20 -0.92 -1.52 115.11 119.63 1hxj h GLN 430 Ca 0.04 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1hxj h GLN 430 Cb 0.07 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1hxj h GLN 430 CO -0.01 0.64 0.16 0.00 -0.67 0.00 0.00 178.83 178.95 1hxj h ARG 431 N 0.99 1.06 -0.09 1.46 3.08 -1.05 -0.91 114.38 118.91 1hxj h ARG 431 Ca 0.33 -0.25 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 1hxj h ARG 431 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1hxj h ARG 431 CO -0.13 0.94 -0.64 0.45 -1.07 0.00 0.00 179.97 179.52 1hxj h HIS 432 N 1.01 0.44 -0.27 3.04 3.86 -1.05 -1.20 115.15 120.98 1hxj h HIS 432 Ca 0.21 -0.18 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 1hxj h HIS 432 Cb 0.36 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1hxj h HIS 432 CO 0.03 0.88 -0.30 0.82 0.86 0.00 0.00 177.93 180.21 1hxj h ILE 433 N 0.25 1.28 -0.63 2.45 2.04 -1.08 -1.78 117.51 120.04 1hxj h ILE 433 Ca -0.01 -1.40 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 1hxj h ILE 433 Cb 1.17 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 1hxj h ILE 433 CO 0.11 0.45 0.10 0.00 0.00 0.00 0.00 178.15 178.80 1hxj h ALA 434 N 1.19 0.98 -0.32 1.87 0.00 -0.89 -2.22 119.26 119.87 1hxj h ALA 434 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1hxj h ALA 434 Cb 0.77 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1hxj h ALA 434 CO 0.06 0.64 0.00 1.15 0.00 0.00 0.00 179.25 181.11 1hxj h THR 435 N 0.97 1.19 -0.48 0.00 2.02 -0.73 -1.77 112.91 114.11 1hxj h THR 435 Ca 0.19 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 1hxj h THR 435 Cb 0.43 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1hxj h THR 435 CO 0.01 0.25 0.06 -0.07 0.37 0.00 0.00 175.52 176.14 1hxj h LEU 436 N 0.47 0.71 -0.28 2.58 3.38 -0.73 -0.41 115.31 121.02 1hxj h LEU 436 Ca 0.10 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1hxj h LEU 436 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1hxj h LEU 436 CO 0.01 0.74 -0.07 0.50 0.09 0.00 0.00 178.44 179.71 1hxj h LYS 437 N 0.72 0.54 -0.83 1.13 1.63 -1.01 -0.89 116.57 117.86 1hxj h LYS 437 Ca 0.15 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1hxj h LYS 437 Cb 0.35 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.91 1hxj h LYS 437 CO 0.01 0.75 0.53 0.93 -3.45 0.00 0.00 179.45 178.22 1hxj h GLU 438 N 0.30 1.10 -0.68 1.90 5.08 -1.01 -1.19 114.58 120.08 1hxj h GLU 438 Ca 0.07 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1hxj h GLU 438 Cb 0.55 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1hxj h GLU 438 CO 0.03 0.74 0.17 0.77 -1.00 0.00 0.00 179.01 179.72 1hxj h SER 439 N 1.13 1.03 -0.82 1.42 0.02 -0.93 -2.59 113.55 112.80 1hxj h SER 439 Ca 0.30 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1hxj h SER 439 Cb -0.11 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.13 1hxj h SER 439 CO -0.06 1.00 0.36 0.40 -1.14 0.00 0.00 176.83 177.38 1hxj h ILE 440 N 1.02 1.26 0.00 3.27 2.04 -0.57 -0.81 117.51 123.72 1hxj h ILE 440 Ca 0.21 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1hxj h ILE 440 Cb 0.37 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1hxj h ILE 440 CO 0.00 0.33 0.00 0.47 0.00 0.00 0.00 178.15 178.95 1hxj n ASP 441 N -4.29 0.00 -0.28 1.72 8.00 -0.50 -1.50 116.55 119.69 1hxj n ASP 441 Ca 0.08 -0.36 0.05 0.00 0.71 0.00 0.00 54.79 55.27 1hxj n ASP 441 Cb 0.17 -0.07 0.11 0.00 -0.02 0.00 0.00 41.12 41.30 1hxj n ASP 441 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1hxj n LEU 442 N -1.07 2.57 0.00 0.64 4.77 -0.43 -4.98 117.00 118.49 1hxj n LEU 442 Ca 0.11 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 1hxj n LEU 442 Cb 0.07 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1hxj n LEU 442 CO 0.10 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1hxj n GLY 443 N -0.60 0.53 3.76 -0.72 0.00 -0.57 -5.06 105.19 102.54 1hxj n GLY 443 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1hxj n GLY 443 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hxj s SER 444 N -2.92 6.43 -0.36 1.61 0.15 -0.51 -4.91 113.70 113.20 1hxj s SER 444 Ca 0.00 2.94 0.02 0.00 0.70 0.00 0.00 55.95 59.61 1hxj s SER 444 Cb 0.00 -2.65 0.44 0.00 -1.71 0.00 0.00 66.02 62.10 1hxj s SER 444 CO 0.00 -0.84 1.74 -3.20 1.20 0.00 0.00 173.24 172.14 1hxj n ASN 445 N 1.35 4.33 -4.76 5.45 5.15 -1.26 -4.56 115.26 120.95 1hxj n ASN 445 Ca 0.04 -3.20 -0.40 0.00 -0.60 0.00 0.00 54.58 50.42 1hxj n ASN 445 Cb 0.39 -0.81 -0.03 0.00 -0.53 0.00 0.00 39.78 38.80 1hxj n ASN 445 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1hxj s VAL 446 N -2.59 3.07 0.00 3.44 0.11 -1.26 -2.31 120.40 120.85 1hxj s VAL 446 Ca 0.42 1.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.53 1hxj s VAL 446 Cb 0.35 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 1hxj s VAL 446 CO 0.06 0.25 0.37 0.00 -3.33 0.00 0.00 175.10 172.44 1hxj n GLN 447 N 0.92 -0.26 -3.57 1.54 6.02 0.21 -4.84 117.38 117.40 1hxj n GLN 447 Ca -0.00 -0.41 -0.06 0.00 -0.01 0.00 0.00 57.00 56.52 1hxj n GLN 447 Cb 0.43 -0.80 -0.02 0.00 1.02 0.00 0.00 30.24 30.88 1hxj n GLN 447 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1hxj s GLY 448 N -0.08 -0.38 -0.02 1.08 0.00 -1.21 -1.38 107.32 105.32 1hxj s GLY 448 Ca 0.00 1.09 -0.01 0.00 0.00 0.00 0.00 44.72 45.81 1hxj s GLY 448 CO 0.00 0.35 0.05 -0.47 0.00 0.00 0.00 173.10 173.02 1hxj s TYR 449 N -2.83 -0.01 -0.18 1.90 6.14 0.37 -0.98 117.35 121.76 1hxj s TYR 449 Ca 0.08 0.17 0.01 0.00 0.64 0.00 0.00 57.07 57.97 1hxj s TYR 449 Cb -0.01 -0.17 0.03 0.00 0.42 0.00 0.00 41.96 42.23 1hxj s TYR 449 CO -0.06 -0.09 -0.14 -0.06 0.64 0.00 0.00 175.55 175.84 1hxj s PHE 450 N 0.89 2.47 0.08 4.97 0.40 0.74 -1.10 117.98 126.42 1hxj s PHE 450 Ca -0.07 -1.51 -0.31 0.00 -0.60 0.00 0.00 56.93 54.44 1hxj s PHE 450 Cb -0.10 -1.71 -0.07 0.00 0.51 0.00 0.00 43.02 41.64 1hxj s PHE 450 CO -0.03 -0.74 1.39 0.00 0.70 0.00 0.00 175.22 176.54 1hxj s ALA 451 N 1.39 3.57 -0.03 5.36 0.00 -0.82 -2.80 121.76 128.44 1hxj s ALA 451 Ca 0.02 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1hxj s ALA 451 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1hxj s ALA 451 CO -0.10 -0.69 1.19 -0.46 0.00 0.00 0.00 175.76 175.69 1hxj s TRP 452 N 1.50 3.28 0.00 0.00 -0.11 0.11 -1.55 118.94 122.16 1hxj s TRP 452 Ca 0.64 1.26 0.00 0.00 1.22 0.00 0.00 56.10 59.23 1hxj s TRP 452 Cb -0.35 -3.40 0.00 0.00 -1.50 0.00 0.00 33.47 28.22 1hxj s TRP 452 CO 0.29 -1.23 0.00 0.43 -4.62 0.00 0.00 176.95 171.83 1hxj n SER 453 N 4.83 -1.54 0.14 5.86 7.64 0.37 -4.60 113.62 126.33 1hxj n SER 453 Ca 0.10 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.98 1hxj n SER 453 Cb 0.47 -0.77 0.24 0.00 -1.01 0.00 0.00 64.21 63.14 1hxj n SER 453 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1hxj h LEU 454 N 0.00 0.06 -8.42 -3.43 5.85 -1.69 -1.94 115.31 105.74 1hxj h LEU 454 Ca 0.00 -0.03 -0.38 0.00 0.84 0.00 0.00 57.88 58.31 1hxj h LEU 454 Cb 0.00 -0.02 -0.20 0.00 0.37 0.00 0.00 40.66 40.81 1hxj h LEU 454 CO 0.00 0.55 -0.76 -0.76 -0.34 0.00 0.00 178.44 177.13 1hxj s LEU 455 N -7.94 2.31 0.36 2.25 1.43 -1.26 -1.45 118.68 114.39 1hxj s LEU 455 Ca -0.02 -0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 52.13 1hxj s LEU 455 Cb 0.13 -0.45 -0.10 0.00 0.03 0.00 0.00 46.19 45.80 1hxj s LEU 455 CO 0.75 -0.13 1.36 -1.81 0.23 0.00 0.00 176.35 176.75 1hxj s ASP 456 N -1.94 6.55 0.14 2.29 1.01 -1.03 -3.83 116.67 119.85 1hxj s ASP 456 Ca -0.00 2.78 -0.03 0.00 0.71 0.00 0.00 52.55 56.01 1hxj s ASP 456 Cb -0.08 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.21 1hxj s ASP 456 CO 0.02 -0.70 0.24 -0.46 0.21 0.00 0.00 175.17 174.48 1hxj n ASN 457 N 0.55 -0.67 -4.63 0.27 0.23 -1.26 -4.73 115.26 105.01 1hxj n ASN 457 Ca 0.01 -1.69 -0.43 0.00 -0.53 0.00 0.00 54.58 51.94 1hxj n ASN 457 Cb 0.41 1.19 -0.02 0.00 -2.08 0.00 0.00 39.78 39.28 1hxj n ASN 457 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1hxj s PHE 458 N -5.07 2.74 -1.13 -2.53 5.36 -0.92 -4.71 117.98 111.73 1hxj s PHE 458 Ca 0.09 0.91 -0.03 0.00 -0.96 0.00 0.00 56.93 56.95 1hxj s PHE 458 Cb -0.01 -3.85 0.26 0.00 -0.34 0.00 0.00 43.02 39.08 1hxj s PHE 458 CO 0.07 -1.62 1.93 0.39 -1.46 0.00 0.00 175.22 174.53 1hxj n GLU 459 N 7.20 5.01 0.00 10.12 -0.58 0.43 -4.65 120.64 138.18 1hxj n GLU 459 Ca 0.14 -4.28 0.00 0.00 -0.42 0.00 0.00 57.16 52.60 1hxj n GLU 459 Cb 0.46 -2.54 0.00 0.00 -0.57 0.00 0.00 31.44 28.79 1hxj n GLU 459 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1hxj n TRP 460 N 0.79 0.00 0.22 -0.32 7.02 -1.26 -0.61 117.44 123.28 1hxj n TRP 460 Ca 0.48 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 57.02 1hxj n TRP 460 Cb 0.27 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.44 1hxj n TRP 460 CO 0.00 0.00 0.00 1.97 -2.02 0.00 0.00 177.69 177.64 1hxj n PHE 461 N 14.00 0.29 1.18 -5.99 1.16 -1.26 -0.91 117.46 125.92 1hxj n PHE 461 Ca 0.00 0.13 0.13 0.00 -1.87 0.00 0.00 57.45 55.84 1hxj n PHE 461 Cb 0.00 -0.71 0.44 0.00 -1.61 0.00 0.00 39.48 37.59 1hxj n PHE 461 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1hxj n ALA 462 N -1.60 3.03 -0.68 1.98 0.00 0.22 -0.15 120.51 123.30 1hxj n ALA 462 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1hxj n ALA 462 Cb 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1hxj n ALA 462 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hxj n GLY 463 N 1.39 2.94 2.04 0.00 0.00 -0.09 -1.61 105.19 109.87 1hxj n GLY 463 Ca 0.10 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1hxj n GLY 463 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hxj n PHE 464 N 14.00 2.57 1.27 1.61 3.01 -1.26 -0.43 117.46 138.23 1hxj n PHE 464 Ca 0.00 -1.37 0.14 0.00 1.01 0.00 0.00 57.45 57.23 1hxj n PHE 464 Cb 0.00 -0.76 0.56 0.00 -0.01 0.00 0.00 39.48 39.28 1hxj n PHE 464 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1hxj n THR 465 N -0.44 0.00 -4.00 4.37 -2.24 -0.63 -4.75 114.28 106.59 1hxj n THR 465 Ca 0.45 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.99 1hxj n THR 465 Cb 1.44 -0.13 -0.17 0.00 -2.10 0.00 0.00 70.33 69.37 1hxj n THR 465 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hxj s GLU 466 N -2.65 0.70 -0.34 -0.78 2.02 -1.26 -0.41 118.70 115.97 1hxj s GLU 466 Ca 0.23 -0.01 -0.11 0.00 0.02 0.00 0.00 54.97 55.10 1hxj s GLU 466 Cb 0.19 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.58 1hxj s GLU 466 CO 0.52 -0.16 0.19 1.03 0.02 0.00 0.00 175.26 176.85 1hxj s ARG 467 N 1.29 3.17 0.00 1.61 0.52 -0.29 -4.60 118.95 120.65 1hxj s ARG 467 Ca -0.05 -0.85 0.20 0.00 -0.52 0.00 0.00 55.73 54.51 1hxj s ARG 467 Cb -0.13 -3.67 0.05 0.00 0.52 0.00 0.00 34.95 31.72 1hxj s ARG 467 CO -0.02 -0.53 1.04 0.66 0.02 0.00 0.00 175.30 176.47 1hxj n TYR 468 N 5.01 0.00 -1.81 -0.53 4.02 -1.26 -0.54 117.16 122.05 1hxj n TYR 468 Ca -0.13 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.43 1hxj n TYR 468 Cb 0.48 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.84 1hxj n TYR 468 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1hxj s GLY 469 N -2.03 2.13 0.04 2.72 0.00 -1.25 -4.43 107.32 104.50 1hxj s GLY 469 Ca 0.19 0.50 0.23 0.00 0.00 0.00 0.00 44.72 45.64 1hxj s GLY 469 CO 0.41 0.84 1.09 0.29 0.00 0.00 0.00 173.10 175.74 1hxj n ILE 470 N -2.36 0.14 -4.55 0.90 -5.35 -0.73 -4.74 119.36 102.67 1hxj n ILE 470 Ca 0.10 -0.19 -0.32 0.00 -0.27 0.00 0.00 62.75 62.07 1hxj n ILE 470 Cb 0.52 0.26 -0.16 0.00 -1.74 0.00 0.00 39.64 38.52 1hxj n ILE 470 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1hxj s VAL 471 N -3.15 2.01 0.18 7.28 1.01 -0.53 -1.81 120.40 125.40 1hxj s VAL 471 Ca 0.05 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1hxj s VAL 471 Cb 0.15 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 1hxj s VAL 471 CO 0.79 0.54 1.01 -0.47 0.00 0.00 0.00 175.10 176.96 1hxj s TYR 472 N 0.92 3.78 -0.26 5.22 5.04 0.23 -2.47 117.35 129.82 1hxj s TYR 472 Ca -0.05 1.77 -0.00 0.00 -2.44 0.00 0.00 57.07 56.35 1hxj s TYR 472 Cb -0.15 -3.11 0.04 0.00 0.35 0.00 0.00 41.96 39.08 1hxj s TYR 472 CO -0.04 -0.01 -0.07 0.08 -1.34 0.00 0.00 175.55 174.17 1hxj s VAL 473 N -0.53 2.69 -1.04 3.14 1.01 -1.26 -0.39 120.40 124.02 1hxj s VAL 473 Ca 0.46 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 1hxj s VAL 473 Cb -0.27 -2.44 0.09 0.00 0.00 0.00 0.00 36.38 33.77 1hxj s VAL 473 CO 0.33 0.11 1.38 -0.62 0.00 0.00 0.00 175.10 176.30 1hxj s ASP 474 N 1.26 6.63 0.60 3.32 -1.08 -0.21 -4.83 116.67 122.36 1hxj s ASP 474 Ca -0.03 -1.90 0.31 0.00 -0.52 0.00 0.00 52.55 50.41 1hxj s ASP 474 Cb -0.18 -2.50 1.85 0.00 -1.46 0.00 0.00 42.92 40.63 1hxj s ASP 474 CO -0.04 -1.26 2.21 0.03 0.52 0.00 0.00 175.17 176.63 1hxj h ARG 475 N 8.97 0.00 0.00 4.34 -0.00 -1.91 0.44 114.38 126.22 1hxj h ARG 475 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 1hxj h ARG 475 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.95 1hxj h ARG 475 CO 1.31 0.00 0.00 0.09 0.00 0.00 0.00 179.97 181.37 1hxj n ASN 476 N -3.70 0.30 -3.20 7.04 5.03 -1.26 -4.27 115.26 115.20 1hxj n ASN 476 Ca -0.02 0.54 -0.23 0.00 0.87 0.00 0.00 54.58 55.74 1hxj n ASN 476 Cb 0.17 -0.62 -0.07 0.00 -1.02 0.00 0.00 39.78 38.24 1hxj n ASN 476 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1hxj n ASN 477 N -1.80 -0.16 -2.22 6.41 3.02 0.04 -4.95 115.26 115.60 1hxj n ASN 477 Ca 0.05 -2.66 -0.19 0.00 -0.03 0.00 0.00 54.58 51.75 1hxj n ASN 477 Cb 0.30 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 1hxj n ASN 477 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hxj n ASN 478 N 1.71 -5.32 -3.60 6.41 4.13 -1.25 -2.25 115.26 115.08 1hxj n ASN 478 Ca 0.22 0.13 -0.27 0.00 1.68 0.00 0.00 54.58 56.34 1hxj n ASN 478 Cb 0.53 -4.51 0.02 0.00 -1.54 0.00 0.00 39.78 34.28 1hxj n ASN 478 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hxj s THR 480 N -3.17 2.45 0.15 0.00 2.01 -0.95 -4.51 115.64 111.61 1hxj s THR 480 Ca 0.53 0.45 -0.11 0.00 0.31 0.00 0.00 61.69 62.87 1hxj s THR 480 Cb -0.27 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 68.89 1hxj s THR 480 CO 0.65 0.11 0.49 -0.13 -0.69 0.00 0.00 174.62 175.05 1hxj s ARG 481 N -1.89 3.83 -0.06 4.92 3.00 -1.26 -1.05 118.95 126.44 1hxj s ARG 481 Ca 0.51 0.29 -0.02 0.00 0.00 0.00 0.00 55.73 56.50 1hxj s ARG 481 Cb -0.42 -2.86 0.04 0.00 0.00 0.00 0.00 34.95 31.70 1hxj s ARG 481 CO 0.57 0.46 0.13 0.71 0.00 0.00 0.00 175.30 177.16 1hxj s TYR 482 N -1.56 -0.13 0.17 -0.53 1.51 0.48 -4.96 117.35 112.33 1hxj s TYR 482 Ca 0.39 0.45 -0.31 0.00 -1.01 0.00 0.00 57.07 56.60 1hxj s TYR 482 Cb -0.13 -0.17 -0.09 0.00 -0.11 0.00 0.00 41.96 41.45 1hxj s TYR 482 CO 0.20 -0.18 1.45 -1.64 -1.11 0.00 0.00 175.55 174.27 1hxj s MET 483 N 1.49 4.28 0.63 -0.62 -1.94 -1.26 0.78 119.30 122.65 1hxj s MET 483 Ca -0.05 2.22 0.02 0.00 -1.71 0.00 0.00 55.69 56.16 1hxj s MET 483 Cb -0.12 -3.18 0.08 0.00 2.01 0.00 0.00 34.83 33.62 1hxj s MET 483 CO -0.05 -0.48 0.87 0.15 -0.01 0.00 0.00 175.02 175.50 1hxj s LYS 484 N 0.71 2.12 0.30 2.03 1.02 -0.75 -4.85 119.74 120.33 1hxj s LYS 484 Ca 0.65 -1.08 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 1hxj s LYS 484 Cb -0.40 -2.45 0.46 0.00 -0.52 0.00 0.00 37.83 34.92 1hxj s LYS 484 CO 0.34 -1.05 1.97 0.93 -0.92 0.00 0.00 175.35 176.62 1hxj h GLU 485 N -0.16 1.05 -0.07 1.68 5.08 -1.23 -2.00 114.58 118.93 1hxj h GLU 485 Ca -0.38 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1hxj h GLU 485 Cb 1.28 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1hxj h GLU 485 CO 0.45 0.70 -0.09 0.66 -1.00 0.00 0.00 179.01 179.73 1hxj h SER 486 N 1.08 -0.27 -0.95 1.42 4.64 -1.82 -0.18 113.55 117.46 1hxj h SER 486 Ca 0.29 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.70 1hxj h SER 486 Cb -0.11 0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.06 1hxj h SER 486 CO -0.06 -0.13 0.63 0.00 -0.87 0.00 0.00 176.83 176.40 1hxj h ALA 487 N 0.93 1.38 -0.29 5.18 0.00 -1.54 -1.26 119.26 123.65 1hxj h ALA 487 Ca 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1hxj h ALA 487 Cb 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1hxj h ALA 487 CO -0.14 0.53 -0.19 0.87 0.00 0.00 0.00 179.25 180.32 1hxj h LYS 488 N 1.21 0.54 -0.30 0.00 1.57 -0.68 -0.53 116.57 118.38 1hxj h LYS 488 Ca 0.38 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 58.80 1hxj h LYS 488 Cb -0.01 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1hxj h LYS 488 CO -0.11 0.70 -0.48 2.35 -0.57 0.00 0.00 179.45 181.34 1hxj h TRP 489 N 0.48 1.06 -0.51 -1.35 7.01 -0.28 -2.72 115.95 119.64 1hxj h TRP 489 Ca 0.08 -0.36 -0.04 0.00 2.11 0.00 0.00 58.89 60.68 1hxj h TRP 489 Cb 0.60 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 1hxj h TRP 489 CO 0.02 1.18 0.15 -0.07 -2.79 0.00 0.00 178.44 176.94 1hxj h LEU 490 N 0.63 0.70 -0.27 0.65 3.38 -0.97 0.19 115.31 119.62 1hxj h LEU 490 Ca 0.03 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1hxj h LEU 490 Cb 1.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1hxj h LEU 490 CO 0.11 0.67 0.13 0.50 0.09 0.00 0.00 178.44 179.94 1hxj h LYS 491 N 0.74 0.28 -0.05 1.13 3.64 -0.93 0.25 116.57 121.62 1hxj h LYS 491 Ca 0.17 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 1hxj h LYS 491 Cb 0.23 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1hxj h LYS 491 CO -0.01 0.18 -0.65 1.05 -2.27 0.00 0.00 179.45 177.75 1hxj h GLU 492 N 0.28 0.21 -0.61 1.90 -0.00 -1.17 -2.63 114.58 112.57 1hxj h GLU 492 Ca 0.11 -0.16 -0.01 0.00 -0.00 0.00 0.00 59.36 59.30 1hxj h GLU 492 Cb 0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 28.78 1hxj h GLU 492 CO -0.07 0.79 0.34 0.35 -0.00 0.00 0.00 179.01 180.42 1hxj h PHE 493 N 0.15 0.83 -0.00 2.06 3.04 -0.40 -2.70 116.94 119.92 1hxj h PHE 493 Ca -0.01 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1hxj h PHE 493 Cb 1.17 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1hxj h PHE 493 CO 0.02 0.59 -0.11 0.09 -2.02 0.00 0.00 178.31 176.88 1hxj n ASN 494 N -4.58 0.24 -0.32 0.41 3.02 0.03 -4.22 115.26 109.85 1hxj n ASN 494 Ca 0.04 -0.13 0.15 0.00 -0.03 0.00 0.00 54.58 54.62 1hxj n ASN 494 Cb 0.08 -0.19 0.34 0.00 -0.61 0.00 0.00 39.78 39.40 1hxj n ASN 494 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1hxj h THR 495 N 0.20 0.44 -2.79 3.41 1.35 -1.12 -3.42 112.91 110.99 1hxj h THR 495 Ca 0.00 -0.14 -0.13 0.00 -0.55 0.00 0.00 66.41 65.59 1hxj h THR 495 Cb 0.40 0.01 -0.25 0.00 -1.73 0.00 0.00 68.15 66.58 1hxj h THR 495 CO 0.00 0.07 -0.29 0.00 -0.25 0.00 0.00 175.52 175.05 1hxj s ALA 496 N -5.84 -0.94 0.30 6.62 0.00 -1.26 -5.04 121.76 115.60 1hxj s ALA 496 Ca -0.11 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1hxj s ALA 496 Cb 0.26 -0.70 0.47 0.00 0.00 0.00 0.00 23.12 23.15 1hxj s ALA 496 CO 0.78 -0.20 1.86 0.87 0.00 0.00 0.00 175.76 179.07 1hxj h LYS 497 N 6.06 0.76 -2.07 0.00 1.57 -1.90 -3.39 116.57 117.59 1hxj h LYS 497 Ca -0.30 -0.14 -0.35 0.00 -1.87 0.00 0.00 60.65 57.98 1hxj h LYS 497 Cb 1.18 -0.12 -0.32 0.00 0.08 0.00 0.00 32.23 33.05 1hxj h LYS 497 CO 0.28 0.68 -0.66 0.21 -0.57 0.00 0.00 179.45 179.39 1hxj s LYS 498 N -5.20 0.46 0.00 3.15 2.20 -1.26 -2.88 119.74 116.20 1hxj s LYS 498 Ca -0.09 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1hxj s LYS 498 Cb 0.16 -0.70 0.00 0.00 -1.51 0.00 0.00 37.83 35.78 1hxj s LYS 498 CO 0.79 -1.10 0.00 -2.30 -0.36 0.00 0.00 175.35 172.38 1hxj n PRO 499 N 4.85 1.96 -3.29 4.03 -0.02 -1.26 -5.07 135.00 136.19 1hxj n PRO 499 Ca 0.04 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.54 1hxj n PRO 499 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.92 1hxj n PRO 499 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1hxj s SER 500 N -2.23 -1.19 0.00 2.55 1.04 -1.26 -5.18 113.70 107.43 1hxj s SER 500 Ca 0.00 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1hxj s SER 500 Cb 0.00 2.10 0.00 0.00 0.10 0.00 0.00 66.02 68.22 1hxj s SER 500 CO 0.00 -0.22 0.00 2.29 0.98 0.00 0.00 173.24 176.29 1hxj n LYS 501 N 5.41 0.00 0.00 4.02 0.00 -1.26 -5.31 118.16 121.03 1hxj n LYS 501 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.29 1hxj n LYS 501 Cb 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.56 1hxj n LYS 501 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57