#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxk s LYS 16 N 0.00 0.67 -0.28 1.20 2.20 -1.26 -1.34 119.74 120.92 3hxk s LYS 16 Ca 0.00 0.82 -0.17 0.00 -0.36 0.00 0.00 55.97 56.26 3hxk s LYS 16 Cb 0.00 0.32 0.12 0.00 -1.51 0.00 0.00 37.83 36.76 3hxk s LYS 16 CO 0.00 -0.08 0.88 -1.54 -0.36 0.00 0.00 175.35 174.25 3hxk s SER 17 N 0.38 -0.65 0.51 1.43 1.04 -1.13 -5.03 113.70 110.25 3hxk s SER 17 Ca 0.01 1.07 -0.12 0.00 0.48 0.00 0.00 55.95 57.39 3hxk s SER 17 Cb -0.05 1.24 -0.06 0.00 0.10 0.00 0.00 66.02 67.25 3hxk s SER 17 CO -0.03 -0.17 0.91 -0.89 0.98 0.00 0.00 173.24 174.04 3hxk s THR 18 N 1.26 4.70 -0.12 2.02 2.01 -1.26 -2.96 115.64 121.29 3hxk s THR 18 Ca -0.07 0.82 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 3hxk s THR 18 Cb -0.04 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.72 3hxk s THR 18 CO -0.15 -0.80 0.03 -0.36 -0.69 0.00 0.00 174.62 172.65 3hxk s PHE 19 N -2.74 0.68 0.37 4.92 0.08 -1.10 -4.96 117.98 115.24 3hxk s PHE 19 Ca 0.54 -0.37 -0.28 0.00 0.12 0.00 0.00 56.93 56.94 3hxk s PHE 19 Cb -0.10 -0.84 -0.11 0.00 -0.57 0.00 0.00 43.02 41.40 3hxk s PHE 19 CO 0.40 -0.43 1.50 -1.13 -0.10 0.00 0.00 175.22 175.45 3hxk n SER 20 N 5.14 3.81 0.00 1.36 3.41 -1.26 -3.39 113.62 122.69 3hxk n SER 20 Ca -0.07 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 3hxk n SER 20 Cb 0.49 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 3hxk n SER 20 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hxk n LEU 21 N 0.54 0.00 0.00 1.04 7.94 -1.06 -4.98 117.00 120.48 3hxk n LEU 21 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 3hxk n LEU 21 Cb 0.39 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.25 3hxk n LEU 21 CO 0.64 -0.19 0.00 0.59 -1.11 0.00 0.00 177.39 177.32 3hxk n ASN 22 N -1.71 1.97 -0.29 1.96 4.13 -1.25 -5.01 115.26 115.07 3hxk n ASN 22 Ca 0.00 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 55.94 3hxk n ASN 22 Cb 0.00 0.00 0.20 0.00 -1.54 0.00 0.00 39.78 38.44 3hxk n ASN 22 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 3hxk h ASP 23 N 0.00 0.98 -2.44 6.41 3.58 -2.04 -3.34 116.42 119.56 3hxk h ASP 23 Ca 0.00 -0.02 -0.59 0.00 0.42 0.00 0.00 57.03 56.84 3hxk h ASP 23 Cb 0.00 -0.24 -0.38 0.00 1.72 0.00 0.00 39.33 40.43 3hxk h ASP 23 CO 0.00 0.70 -0.93 0.28 -2.88 0.00 0.00 179.24 176.40 3hxk s THR 24 N -5.96 0.27 -0.31 2.25 -1.32 -1.26 -5.03 115.64 104.28 3hxk s THR 24 Ca -0.12 -2.32 -0.10 0.00 -1.21 0.00 0.00 61.69 57.94 3hxk s THR 24 Cb 0.18 -1.21 0.19 0.00 -1.51 0.00 0.00 72.50 70.15 3hxk s THR 24 CO 0.80 -1.15 1.05 0.00 -2.21 0.00 0.00 174.62 173.10 3hxk s ALA 25 N 0.42 -4.27 0.51 11.08 0.00 -1.26 -3.10 121.76 125.14 3hxk s ALA 25 Ca 0.28 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 3hxk s ALA 25 Cb -0.06 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 3hxk s ALA 25 CO -0.13 -2.33 0.98 -1.58 0.00 0.00 0.00 175.76 172.71 3hxk s TRP 26 N 2.37 3.40 -0.38 0.00 0.51 -0.78 -2.58 118.94 121.48 3hxk s TRP 26 Ca 0.20 1.49 0.02 0.00 -2.12 0.00 0.00 56.10 55.70 3hxk s TRP 26 Cb 0.01 -2.82 0.15 0.00 -0.81 0.00 0.00 33.47 30.01 3hxk s TRP 26 CO -0.18 -0.38 0.32 0.08 -0.51 0.00 0.00 176.95 176.28 3hxk s VAL 27 N -2.53 -0.02 0.14 4.03 1.01 -1.22 0.85 120.40 122.66 3hxk s VAL 27 Ca 0.60 -1.69 -0.31 0.00 0.00 0.00 0.00 61.98 60.58 3hxk s VAL 27 Cb -0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 3hxk s VAL 27 CO 0.29 -0.88 1.37 -1.81 0.00 0.00 0.00 175.10 174.07 3hxk s ASP 28 N 0.91 6.83 -0.26 3.32 1.01 0.15 -2.72 116.67 125.91 3hxk s ASP 28 Ca 0.22 2.35 0.03 0.00 0.71 0.00 0.00 52.55 55.86 3hxk s ASP 28 Cb -0.13 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.27 3hxk s ASP 28 CO -0.05 -0.63 -0.10 0.12 0.21 0.00 0.00 175.17 174.72 3hxk s PHE 29 N 0.86 3.23 -0.15 4.23 5.99 -1.15 0.31 117.98 131.29 3hxk s PHE 29 Ca 0.63 -2.32 -0.15 0.00 0.00 0.00 0.00 56.93 55.08 3hxk s PHE 29 Cb -0.37 -1.95 -0.04 0.00 0.00 0.00 0.00 43.02 40.65 3hxk s PHE 29 CO 0.32 -0.88 0.35 0.71 -0.00 0.00 0.00 175.22 175.73 3hxk s TYR 30 N 1.11 3.47 0.03 10.12 1.51 0.40 -2.85 117.35 131.14 3hxk s TYR 30 Ca -0.08 0.68 0.02 0.00 -1.01 0.00 0.00 57.07 56.68 3hxk s TYR 30 Cb -0.20 -2.41 -0.02 0.00 -0.11 0.00 0.00 41.96 39.22 3hxk s TYR 30 CO -0.05 0.20 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.38 3hxk s GLN 31 N 0.57 0.47 0.00 -0.62 0.74 -0.45 -2.08 119.66 118.29 3hxk s GLN 31 Ca 0.19 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.05 3hxk s GLN 31 Cb -0.14 -0.30 0.00 0.00 1.10 0.00 0.00 33.01 33.68 3hxk s GLN 31 CO 0.06 0.06 0.00 -0.11 -0.55 0.00 0.00 175.29 174.75 3hxk n LEU 32 N 1.97 0.00 -3.66 3.68 7.94 -1.26 -3.90 117.00 121.78 3hxk n LEU 32 Ca -0.19 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.61 3hxk n LEU 32 Cb 0.56 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.43 3hxk n LEU 32 CO 0.22 0.00 0.28 -1.58 -1.11 0.00 0.00 177.39 175.20 3hxk s GLN 33 N -1.98 0.65 0.00 1.96 2.00 -1.26 -5.03 119.66 115.99 3hxk s GLN 33 Ca 0.00 1.05 0.00 0.00 -2.00 0.00 0.00 55.36 54.41 3hxk s GLN 33 Cb 0.00 0.15 0.00 0.00 0.80 0.00 0.00 33.01 33.96 3hxk s GLN 33 CO 0.00 -0.14 0.19 -1.71 -0.50 0.00 0.00 175.29 173.13 3hxk n ASN 34 N 3.96 0.00 0.00 6.67 5.15 -1.26 -5.24 115.26 124.54 3hxk n ASN 34 Ca -0.19 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 3hxk n ASN 34 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 3hxk n ASN 34 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3hxk n TYR 41 N -0.31 0.00 -2.96 1.20 4.02 -1.26 -5.30 117.16 112.54 3hxk n TYR 41 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 3hxk n TYR 41 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 3hxk n TYR 41 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hxk n THR 42 N -0.18 -0.40 -1.78 -0.72 -1.04 -1.26 -4.84 114.28 104.07 3hxk n THR 42 Ca 0.00 -1.85 -0.41 0.00 -2.04 0.00 0.00 64.05 59.75 3hxk n THR 42 Cb 0.00 0.14 -0.01 0.00 -1.82 0.00 0.00 70.33 68.63 3hxk n THR 42 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3hxk s PHE 43 N 0.56 2.73 0.03 -1.42 0.08 -0.75 -3.68 117.98 115.53 3hxk s PHE 43 Ca 0.31 0.84 -0.30 0.00 0.12 0.00 0.00 56.93 57.89 3hxk s PHE 43 Cb 0.03 -4.06 -0.06 0.00 -0.57 0.00 0.00 43.02 38.35 3hxk s PHE 43 CO -0.11 -3.51 1.44 -1.25 -0.10 0.00 0.00 175.22 171.69 3hxk s PRO 44 N -0.73 4.27 0.66 0.24 0.04 -1.26 -2.87 135.00 135.35 3hxk s PRO 44 Ca 0.62 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.66 3hxk s PRO 44 Cb -0.48 -3.53 0.07 0.00 0.04 0.00 0.00 34.50 30.60 3hxk s PRO 44 CO 0.50 -0.58 0.94 0.00 0.04 0.00 0.00 177.00 177.90 3hxk s ALA 45 N 2.26 3.44 -0.22 8.56 0.00 -0.92 -2.56 121.76 132.33 3hxk s ALA 45 Ca 0.66 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 3hxk s ALA 45 Cb -0.33 -2.35 0.08 0.00 0.00 0.00 0.00 23.12 20.51 3hxk s ALA 45 CO 0.28 -1.18 0.50 -1.50 0.00 0.00 0.00 175.76 173.87 3hxk s ILE 46 N -3.09 -0.27 0.05 0.00 -1.16 0.57 -2.51 121.20 114.79 3hxk s ILE 46 Ca 0.60 0.08 -0.19 0.00 -0.51 0.00 0.00 60.65 60.63 3hxk s ILE 46 Cb -0.10 -0.75 -0.06 0.00 0.61 0.00 0.00 42.46 42.16 3hxk s ILE 46 CO 0.43 0.03 0.56 -0.63 -2.81 0.00 0.00 174.94 172.52 3hxk s ILE 47 N 1.91 4.80 0.06 2.00 1.09 0.14 -1.89 121.20 129.31 3hxk s ILE 47 Ca -0.07 1.18 0.06 0.00 -1.10 0.00 0.00 60.65 60.72 3hxk s ILE 47 Cb -0.09 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.39 3hxk s ILE 47 CO -0.15 0.53 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.47 3hxk s ILE 48 N -0.95 3.19 -0.53 2.92 1.01 -0.29 0.91 121.20 127.47 3hxk s ILE 48 Ca 0.29 -1.14 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3hxk s ILE 48 Cb -0.19 -2.41 0.14 0.00 0.01 0.00 0.00 42.46 40.01 3hxk s ILE 48 CO 0.18 0.26 0.32 0.00 0.00 0.00 0.00 174.94 175.69 3hxk n PRO 50 N 2.96 2.29 -1.18 0.00 -0.04 -1.26 -2.84 135.00 134.93 3hxk n PRO 50 Ca 0.12 0.80 -0.20 0.00 -0.04 0.00 0.00 63.50 64.18 3hxk n PRO 50 Cb 0.35 -2.44 0.14 0.00 -0.04 0.00 0.00 33.50 31.52 3hxk n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hxk n GLY 51 N 0.85 -1.60 0.00 0.55 0.00 -1.20 -4.04 105.19 99.74 3hxk n GLY 51 Ca 0.04 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3hxk n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxk n GLY 52 N -1.10 0.00 3.30 -0.02 0.00 -1.26 0.48 105.19 106.59 3hxk n GLY 52 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 3hxk n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxk n GLY 53 N 0.00 -0.48 4.50 -0.02 0.00 -1.26 -1.24 105.19 106.69 3hxk n GLY 53 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3hxk n GLY 53 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hxk n TYR 54 N -3.82 0.00 0.05 1.61 4.01 -1.26 -4.71 117.16 113.04 3hxk n TYR 54 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 3hxk n TYR 54 Cb 0.54 -1.14 -0.02 0.00 -0.31 0.00 0.00 39.34 38.41 3hxk n TYR 54 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3hxk h GLN 55 N 0.14 -0.23 0.00 -0.72 5.75 -1.54 -3.39 115.11 115.11 3hxk h GLN 55 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3hxk h GLN 55 Cb 0.00 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.60 3hxk h GLN 55 CO 0.00 -0.12 0.00 -2.39 -2.65 0.00 0.00 178.83 173.67 3hxk n HIS 56 N -4.93 0.00 -3.81 3.99 1.44 -0.81 -2.08 115.22 109.02 3hxk n HIS 56 Ca -0.03 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.38 3hxk n HIS 56 Cb 0.11 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.06 3hxk n HIS 56 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hxk s ILE 57 N 0.46 1.17 -0.58 0.61 -1.09 -1.26 -4.33 121.20 116.18 3hxk s ILE 57 Ca 0.00 -1.44 -0.31 0.00 -2.23 0.00 0.00 60.65 56.68 3hxk s ILE 57 Cb 0.00 -1.79 -0.13 0.00 -1.58 0.00 0.00 42.46 38.97 3hxk s ILE 57 CO 0.00 -0.52 2.42 -0.24 -1.23 0.00 0.00 174.94 175.36 3hxk n SER 58 N 4.74 1.70 -0.29 3.58 2.88 0.18 -4.77 113.62 121.64 3hxk n SER 58 Ca -0.03 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.54 3hxk n SER 58 Cb 0.43 -1.29 0.17 0.00 -0.75 0.00 0.00 64.21 62.77 3hxk n SER 58 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3hxk h GLN 59 N 15.00 0.77 -0.18 -1.46 5.75 -1.97 -0.21 115.11 132.81 3hxk h GLN 59 Ca -0.20 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 3hxk h GLN 59 Cb 1.30 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.67 3hxk h GLN 59 CO 1.17 0.51 0.00 2.89 -2.65 0.00 0.00 178.83 180.75 3hxk n ARG 60 N -4.74 0.43 -0.03 1.69 1.85 -1.26 -1.00 116.66 113.60 3hxk n ARG 60 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 3hxk n ARG 60 Cb 0.28 -1.09 0.01 0.00 -1.05 0.00 0.00 32.46 30.61 3hxk n ARG 60 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3hxk n GLU 61 N -0.18 1.26 0.00 2.89 1.02 -0.09 -4.73 120.64 120.81 3hxk n GLU 61 Ca 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.13 3hxk n GLU 61 Cb 0.04 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 3hxk n GLU 61 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3hxk n SER 62 N -0.26 0.00 -0.23 1.62 7.64 -0.17 -4.49 113.62 117.73 3hxk n SER 62 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3hxk n SER 62 Cb 0.41 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.65 3hxk n SER 62 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3hxk n ASP 63 N 0.00 -0.35 -0.06 6.43 2.03 -1.26 0.99 116.55 124.33 3hxk n ASP 63 Ca 0.00 1.03 -0.08 0.00 0.52 0.00 0.00 54.79 56.26 3hxk n ASP 63 Cb 0.00 -0.25 -0.01 0.00 -0.72 0.00 0.00 41.12 40.13 3hxk n ASP 63 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hxk h PRO 64 N 0.00 0.12 -0.62 -0.67 0.11 -1.91 -1.25 132.00 127.79 3hxk h PRO 64 Ca 0.22 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.37 3hxk h PRO 64 Cb 0.37 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.41 3hxk h PRO 64 CO -0.59 0.08 0.36 1.25 -0.21 0.00 0.00 178.00 178.88 3hxk h LEU 65 N 0.12 0.55 0.02 2.35 6.46 0.37 -2.27 115.31 122.92 3hxk h LEU 65 Ca 0.11 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 3hxk h LEU 65 Cb 0.12 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 3hxk h LEU 65 CO -0.16 0.37 -0.35 0.00 -0.62 0.00 0.00 178.44 177.69 3hxk h ALA 66 N 1.30 -0.53 -0.36 1.25 0.00 -0.02 -2.39 119.26 118.50 3hxk h ALA 66 Ca 0.26 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3hxk h ALA 66 Cb 0.10 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 3hxk h ALA 66 CO -0.14 -0.87 -0.09 -0.07 0.00 0.00 0.00 179.25 178.08 3hxk h LEU 67 N -0.51 -0.34 -0.91 0.00 3.38 -1.02 0.21 115.31 116.13 3hxk h LEU 67 Ca 0.05 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3hxk h LEU 67 Cb 0.59 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 3hxk h LEU 67 CO -0.27 -0.12 -0.58 0.00 0.09 0.00 0.00 178.44 177.56 3hxk h ALA 68 N 1.36 -0.57 -0.32 1.53 0.00 -0.89 0.55 119.26 120.91 3hxk h ALA 68 Ca 0.17 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3hxk h ALA 68 Cb 0.26 1.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3hxk h ALA 68 CO -0.37 -0.97 -0.19 0.74 0.00 0.00 0.00 179.25 178.46 3hxk h PHE 69 N -0.05 0.81 -0.66 0.00 0.04 -1.27 -1.94 116.94 113.88 3hxk h PHE 69 Ca 0.15 -0.21 0.15 0.00 2.80 0.00 0.00 57.97 60.86 3hxk h PHE 69 Cb 0.43 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 3hxk h PHE 69 CO -0.99 0.93 0.45 1.25 -0.60 0.00 0.00 178.31 179.35 3hxk h LEU 70 N 0.46 0.22 0.00 1.54 5.85 0.53 0.53 115.31 124.44 3hxk h LEU 70 Ca 0.07 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 3hxk h LEU 70 Cb 0.73 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3hxk h LEU 70 CO 0.05 0.11 -0.79 0.00 -0.34 0.00 0.00 178.44 177.48 3hxk h ALA 71 N 1.68 0.53 -0.03 1.25 0.00 0.42 -3.05 119.26 120.05 3hxk h ALA 71 Ca 0.32 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hxk h ALA 71 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hxk h ALA 71 CO -0.07 0.94 0.00 0.94 0.00 0.00 0.00 179.25 181.07 3hxk n GLN 72 N -3.27 1.08 -1.84 0.00 -0.06 0.17 -4.87 117.38 108.59 3hxk n GLN 72 Ca 0.00 -0.13 -0.00 0.00 -2.00 0.00 0.00 57.00 54.87 3hxk n GLN 72 Cb 0.84 -1.05 0.00 0.00 -4.06 0.00 0.00 30.24 25.97 3hxk n GLN 72 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hxk n GLY 73 N 0.58 0.59 2.93 1.69 0.00 -0.47 -5.03 105.19 105.48 3hxk n GLY 73 Ca 0.02 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 3hxk n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hxk s TYR 74 N -3.00 -0.13 0.20 1.61 2.02 -0.84 -4.62 117.35 112.60 3hxk s TYR 74 Ca 0.00 0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.77 3hxk s TYR 74 Cb -0.00 -0.05 -0.08 0.00 -0.40 0.00 0.00 41.96 41.43 3hxk s TYR 74 CO 0.01 -0.12 1.26 -1.14 -1.57 0.00 0.00 175.55 173.99 3hxk s GLN 75 N 0.72 4.44 -0.14 -0.62 2.00 -1.06 -3.67 119.66 121.32 3hxk s GLN 75 Ca -0.05 1.98 -0.01 0.00 -2.00 0.00 0.00 55.36 55.28 3hxk s GLN 75 Cb -0.07 -3.21 -0.02 0.00 0.80 0.00 0.00 33.01 30.51 3hxk s GLN 75 CO -0.03 -0.17 -0.11 0.08 -0.50 0.00 0.00 175.29 174.55 3hxk s VAL 76 N -0.02 3.16 -0.47 1.34 1.01 -0.88 -0.31 120.40 124.22 3hxk s VAL 76 Ca 0.54 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.95 3hxk s VAL 76 Cb -0.35 -2.34 0.12 0.00 0.00 0.00 0.00 36.38 33.81 3hxk s VAL 76 CO 0.38 0.51 0.20 -0.76 0.00 0.00 0.00 175.10 175.43 3hxk s LEU 77 N 0.45 4.48 -0.34 3.92 1.43 -0.79 0.15 118.68 127.98 3hxk s LEU 77 Ca -0.09 -2.74 -0.27 0.00 -1.03 0.00 0.00 54.13 50.00 3hxk s LEU 77 Cb -0.16 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.44 3hxk s LEU 77 CO 0.04 -0.28 0.97 -0.22 0.23 0.00 0.00 176.35 177.09 3hxk s LEU 78 N 0.09 3.98 -0.26 1.79 1.98 0.15 -1.13 118.68 125.27 3hxk s LEU 78 Ca 0.15 0.80 -0.15 0.00 -2.89 0.00 0.00 54.13 52.05 3hxk s LEU 78 Cb -0.24 -3.35 -0.04 0.00 0.66 0.00 0.00 46.19 43.22 3hxk s LEU 78 CO -0.03 -0.83 0.36 -0.22 -1.89 0.00 0.00 176.35 173.75 3hxk s LEU 79 N 3.47 4.05 -1.09 -0.68 2.96 -0.97 0.33 118.68 126.74 3hxk s LEU 79 Ca 0.40 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.57 3hxk s LEU 79 Cb -0.12 -2.41 0.29 0.00 0.50 0.00 0.00 46.19 44.45 3hxk s LEU 79 CO 0.16 -0.16 1.71 -3.20 -1.32 0.00 0.00 176.35 173.54 3hxk n ASN 80 N 5.24 6.85 -4.75 3.68 5.15 0.25 -4.48 115.26 127.20 3hxk n ASN 80 Ca -0.09 -3.50 -0.41 0.00 -0.60 0.00 0.00 54.58 49.99 3hxk n ASN 80 Cb 0.51 -1.25 0.01 0.00 -0.53 0.00 0.00 39.78 38.52 3hxk n ASN 80 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hxk n TYR 81 N 0.92 2.74 -1.50 1.20 0.18 -1.26 -1.87 117.16 117.57 3hxk n TYR 81 Ca 0.38 0.46 -0.48 0.00 1.88 0.00 0.00 57.90 60.14 3hxk n TYR 81 Cb 0.30 -2.48 -0.03 0.00 -0.38 0.00 0.00 39.34 36.74 3hxk n TYR 81 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 3hxk n THR 82 N 0.17 1.64 0.00 -3.48 5.66 -1.18 -4.95 114.28 112.15 3hxk n THR 82 Ca 0.03 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 3hxk n THR 82 Cb 0.39 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 3hxk n THR 82 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3hxk n VAL 83 N 0.45 0.00 -1.08 1.08 0.24 -1.26 -4.96 118.33 112.80 3hxk n VAL 83 Ca 0.15 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.42 3hxk n VAL 83 Cb 0.26 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.61 3hxk n VAL 83 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3hxk n ASN 85 N 0.00 -4.69 -2.74 -1.34 4.13 -0.88 -4.66 115.26 105.07 3hxk n ASN 85 Ca 0.00 0.07 -0.04 0.00 1.68 0.00 0.00 54.58 56.28 3hxk n ASN 85 Cb 0.00 -2.42 0.06 0.00 -1.54 0.00 0.00 39.78 35.88 3hxk n ASN 85 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3hxk n LYS 86 N -1.10 1.43 -2.06 3.52 4.01 -1.26 -5.04 118.16 117.66 3hxk n LYS 86 Ca -0.03 -2.99 -0.02 0.00 -0.51 0.00 0.00 58.31 54.77 3hxk n LYS 86 Cb 0.32 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.74 3hxk n LYS 86 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hxk n GLY 87 N -0.52 -2.23 3.74 0.72 0.00 -1.26 -4.99 105.19 100.65 3hxk n GLY 87 Ca 0.04 0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 3hxk n GLY 87 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hxk s THR 88 N -1.20 4.56 0.00 2.61 -1.32 -1.26 -4.97 115.64 114.06 3hxk s THR 88 Ca 0.05 1.88 0.00 0.00 -1.21 0.00 0.00 61.69 62.42 3hxk s THR 88 Cb -0.02 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.74 3hxk s THR 88 CO 0.34 0.35 0.00 0.59 -2.21 0.00 0.00 174.62 173.69 3hxk n ASN 89 N 2.67 0.00 -4.98 8.08 4.13 -1.26 -5.12 115.26 118.78 3hxk n ASN 89 Ca -0.00 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.06 3hxk n ASN 89 Cb 0.49 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3hxk n ASN 89 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3hxk s TYR 90 N 0.00 3.10 -1.05 3.10 6.14 -1.26 -4.98 117.35 122.40 3hxk s TYR 90 Ca 0.00 -0.08 -0.24 0.00 0.64 0.00 0.00 57.07 57.38 3hxk s TYR 90 Cb 0.00 -2.17 -0.11 0.00 0.42 0.00 0.00 41.96 40.09 3hxk s TYR 90 CO 0.00 -0.21 2.03 -0.80 0.64 0.00 0.00 175.55 177.21 3hxk s ASN 91 N -4.22 4.59 0.00 4.32 0.02 -1.26 -4.72 114.94 113.67 3hxk s ASN 91 Ca 0.48 -1.09 0.06 0.00 -1.02 0.00 0.00 52.86 51.29 3hxk s ASN 91 Cb -0.10 -2.58 0.33 0.00 0.02 0.00 0.00 41.25 38.92 3hxk s ASN 91 CO 0.34 -3.45 0.72 2.22 0.02 0.00 0.00 177.10 176.95 3hxk n PHE 92 N 15.90 0.00 0.25 2.20 1.16 -1.26 -3.25 117.46 132.46 3hxk n PHE 92 Ca 0.43 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 56.15 3hxk n PHE 92 Cb 0.46 0.00 0.62 0.00 -1.61 0.00 0.00 39.48 38.95 3hxk n PHE 92 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3hxk h LEU 93 N 0.00 0.00 0.09 5.98 3.38 -1.96 1.26 115.31 124.06 3hxk h LEU 93 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3hxk h LEU 93 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hxk h LEU 93 CO 0.00 0.00 -2.09 -0.24 0.09 0.00 0.00 178.44 176.20 3hxk n SER 94 N -2.99 1.93 0.29 -0.43 2.88 -1.20 -3.98 113.62 110.12 3hxk n SER 94 Ca 0.02 0.15 0.15 0.00 -1.33 0.00 0.00 58.87 57.85 3hxk n SER 94 Cb 0.63 -0.65 0.86 0.00 -0.75 0.00 0.00 64.21 64.30 3hxk n SER 94 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3hxk h GLN 95 N 0.05 0.00 0.63 -1.46 4.15 0.11 -2.93 115.11 115.65 3hxk h GLN 95 Ca -0.45 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.94 3hxk h GLN 95 Cb 2.01 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.71 3hxk h GLN 95 CO 0.05 0.05 -0.30 -0.91 -1.93 0.00 0.00 178.83 175.79 3hxk h ASN 96 N 0.00 -0.71 -1.45 -0.69 2.35 -0.50 -2.39 115.58 112.18 3hxk h ASN 96 Ca -0.00 -0.01 0.46 0.00 -0.55 0.00 0.00 56.30 56.19 3hxk h ASN 96 Cb 0.15 0.18 -0.11 0.00 0.05 0.00 0.00 38.32 38.59 3hxk h ASN 96 CO 0.01 -0.34 0.98 -0.07 -1.65 0.00 0.00 177.43 176.35 3hxk h LEU 97 N -1.14 0.17 0.54 1.61 3.38 -1.67 0.98 115.31 119.18 3hxk h LEU 97 Ca -0.09 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hxk h LEU 97 Cb 0.68 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.52 3hxk h LEU 97 CO 0.14 -0.13 -0.26 -0.33 0.09 0.00 0.00 178.44 177.96 3hxk h GLU 98 N 0.06 -0.69 -0.50 1.13 4.39 -1.49 -0.96 114.58 116.53 3hxk h GLU 98 Ca 0.83 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.65 3hxk h GLU 98 Cb 2.80 0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 31.52 3hxk h GLU 98 CO -0.30 -0.39 -0.45 0.93 -1.16 0.00 0.00 179.01 177.65 3hxk h GLU 99 N -1.00 -0.27 -0.60 2.33 5.08 0.15 0.60 114.58 120.87 3hxk h GLU 99 Ca -0.07 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3hxk h GLU 99 Cb 0.63 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3hxk h GLU 99 CO 0.12 -0.18 0.31 -0.24 -1.00 0.00 0.00 179.01 178.01 3hxk h VAL 100 N -0.28 0.94 -0.53 3.13 3.04 -1.27 -0.89 116.25 120.39 3hxk h VAL 100 Ca 0.15 -0.20 0.08 0.00 -1.01 0.00 0.00 66.70 65.72 3hxk h VAL 100 Cb 0.57 0.31 -0.07 0.00 -2.01 0.00 0.00 31.29 30.10 3hxk h VAL 100 CO -0.64 0.10 0.17 -0.61 -1.01 0.00 0.00 177.57 175.59 3hxk h GLN 101 N 0.57 0.33 -0.59 4.17 4.15 0.62 0.17 115.11 124.52 3hxk h GLN 101 Ca 0.27 -0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.84 3hxk h GLN 101 Cb 0.19 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3hxk h GLN 101 CO -0.19 0.22 0.45 0.00 -1.93 0.00 0.00 178.83 177.38 3hxk h ALA 102 N 1.38 2.51 0.24 3.38 0.00 0.15 -0.74 119.26 126.17 3hxk h ALA 102 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hxk h ALA 102 Cb 0.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hxk h ALA 102 CO -0.29 -0.76 -0.11 0.28 0.00 0.00 0.00 179.25 178.37 3hxk h VAL 103 N 0.00 0.83 -0.29 0.00 2.07 -0.28 0.24 116.25 118.82 3hxk h VAL 103 Ca 0.28 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.35 3hxk h VAL 103 Cb 1.18 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3hxk h VAL 103 CO -0.00 0.11 0.03 -0.26 0.02 0.00 0.00 177.57 177.47 3hxk h PHE 104 N -0.58 0.05 -0.38 1.57 -1.00 -1.00 0.17 116.94 115.78 3hxk h PHE 104 Ca -0.03 0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.84 3hxk h PHE 104 Cb 0.42 0.02 -0.09 0.00 3.61 0.00 0.00 35.95 39.91 3hxk h PHE 104 CO 0.01 -0.01 -0.29 0.77 -1.61 0.00 0.00 178.31 177.18 3hxk h SER 105 N 0.13 -0.97 -0.68 2.17 0.02 -1.06 0.84 113.55 113.99 3hxk h SER 105 Ca 0.14 0.18 0.14 0.00 -0.84 0.00 0.00 61.79 61.41 3hxk h SER 105 Cb 0.16 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 63.06 3hxk h SER 105 CO -0.20 -0.30 0.14 -0.07 -1.14 0.00 0.00 176.83 175.25 3hxk h LEU 106 N -0.23 -0.04 0.45 5.07 -0.00 0.73 -1.62 115.31 119.67 3hxk h LEU 106 Ca 0.17 0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 58.17 3hxk h LEU 106 Cb 0.52 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 3hxk h LEU 106 CO -0.51 -0.04 -0.22 0.40 -0.00 0.00 0.00 178.44 178.07 3hxk h ILE 107 N 0.24 0.51 -1.66 1.22 2.04 0.15 0.17 117.51 120.18 3hxk h ILE 107 Ca 0.38 -0.34 0.48 0.00 1.00 0.00 0.00 64.86 66.37 3hxk h ILE 107 Cb 0.62 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 3hxk h ILE 107 CO -0.49 0.06 1.19 -0.74 0.00 0.00 0.00 178.15 178.17 3hxk h HIS 108 N -0.83 0.02 0.00 1.37 2.76 0.13 1.20 115.15 119.80 3hxk h HIS 108 Ca -0.06 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.93 3hxk h HIS 108 Cb 0.56 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 3hxk h HIS 108 CO -0.00 -0.00 -2.04 0.00 -1.30 0.00 0.00 177.93 174.59 3hxk n GLN 109 N -4.05 0.92 -0.54 5.26 10.64 -0.69 -4.49 117.38 124.43 3hxk n GLN 109 Ca 0.37 -0.08 0.04 0.00 -1.83 0.00 0.00 57.00 55.50 3hxk n GLN 109 Cb 1.70 -1.44 0.20 0.00 -0.86 0.00 0.00 30.24 29.85 3hxk n GLN 109 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hxk n ASN 110 N -2.42 2.60 0.26 2.61 5.03 0.68 -4.68 115.26 119.33 3hxk n ASN 110 Ca -0.17 -3.50 0.13 0.00 0.87 0.00 0.00 54.58 51.90 3hxk n ASN 110 Cb 0.81 -0.55 0.67 0.00 -1.02 0.00 0.00 39.78 39.69 3hxk n ASN 110 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 3hxk h HIS 111 N 0.97 0.00 0.02 3.10 2.07 0.11 0.77 115.15 122.19 3hxk h HIS 111 Ca 0.08 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.53 3hxk h HIS 111 Cb 1.35 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.33 3hxk h HIS 111 CO 0.65 0.14 -0.31 -0.22 -3.07 0.00 0.00 177.93 175.13 3hxk h LYS 112 N 0.00 0.17 -0.12 5.12 3.64 -1.83 -2.42 116.57 121.14 3hxk h LYS 112 Ca -0.00 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 3hxk h LYS 112 Cb 0.45 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3hxk h LYS 112 CO 0.02 0.99 -0.05 1.49 -2.27 0.00 0.00 179.45 179.62 3hxk h GLU 113 N -0.54 0.24 0.00 1.90 4.81 -1.87 -2.73 114.58 116.39 3hxk h GLU 113 Ca -0.04 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3hxk h GLU 113 Cb 1.11 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3hxk h GLU 113 CO 0.06 0.58 0.00 0.91 -0.73 0.00 0.00 179.01 179.83 3hxk n TRP 114 N -4.70 0.00 -1.85 0.92 5.03 0.25 -4.78 117.44 112.31 3hxk n TRP 114 Ca -0.06 0.00 -0.21 0.00 3.03 0.00 0.00 57.50 60.26 3hxk n TRP 114 Cb 0.28 -0.32 -0.06 0.00 -1.03 0.00 0.00 31.31 30.17 3hxk n TRP 114 CO 0.00 0.00 0.00 0.94 -0.03 0.00 0.00 177.69 178.60 3hxk n GLN 115 N -1.32 -1.51 -3.71 -0.99 -0.06 -1.03 -4.94 117.38 103.82 3hxk n GLN 115 Ca 0.02 1.16 -0.36 0.00 -2.00 0.00 0.00 57.00 55.82 3hxk n GLN 115 Cb 0.03 -5.63 -0.06 0.00 -4.06 0.00 0.00 30.24 20.53 3hxk n GLN 115 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 3hxk s ILE 116 N -2.85 5.27 -0.70 1.69 1.01 -0.92 -1.81 121.20 122.89 3hxk s ILE 116 Ca 0.00 0.37 -0.22 0.00 0.00 0.00 0.00 60.65 60.80 3hxk s ILE 116 Cb 0.00 -3.57 0.08 0.00 0.01 0.00 0.00 42.46 38.98 3hxk s ILE 116 CO 0.00 0.48 0.99 0.21 0.00 0.00 0.00 174.94 176.62 3hxk s ASN 117 N -1.37 6.23 0.65 3.58 2.47 -1.14 -4.62 114.94 120.73 3hxk s ASN 117 Ca 0.24 -1.12 0.19 0.00 0.42 0.00 0.00 52.86 52.59 3hxk s ASN 117 Cb -0.14 -2.42 0.98 0.00 -1.45 0.00 0.00 41.25 38.22 3hxk s ASN 117 CO 0.12 -1.40 1.53 1.55 -3.72 0.00 0.00 177.10 175.19 3hxk h PRO 118 N 9.49 0.00 -0.40 0.43 0.13 -1.93 1.06 132.00 140.78 3hxk h PRO 118 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3hxk h PRO 118 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hxk h PRO 118 CO 1.18 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 177.04 3hxk n GLU 119 N -2.92 1.93 -2.85 0.86 4.07 -1.26 -4.16 120.64 116.31 3hxk n GLU 119 Ca 0.03 -1.44 -0.14 0.00 -0.06 0.00 0.00 57.16 55.55 3hxk n GLU 119 Cb 0.77 -1.32 0.00 0.00 -0.06 0.00 0.00 31.44 30.84 3hxk n GLU 119 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3hxk n GLN 120 N 0.67 1.31 -4.16 5.31 6.02 0.36 -4.90 117.38 121.99 3hxk n GLN 120 Ca 0.14 -3.44 -0.35 0.00 -0.01 0.00 0.00 57.00 53.34 3hxk n GLN 120 Cb 0.34 -1.51 -0.13 0.00 1.02 0.00 0.00 30.24 29.96 3hxk n GLN 120 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hxk s VAL 121 N -3.08 3.83 0.32 5.09 1.01 -1.26 -2.16 120.40 124.16 3hxk s VAL 121 Ca 0.34 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.06 3hxk s VAL 121 Cb 0.41 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 3hxk s VAL 121 CO -0.02 0.45 -0.12 -0.36 0.00 0.00 0.00 175.10 175.04 3hxk s PHE 122 N 0.88 2.39 -0.08 5.22 0.40 -1.04 -1.76 117.98 123.99 3hxk s PHE 122 Ca 0.00 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 3hxk s PHE 122 Cb -0.14 -1.24 -0.01 0.00 0.51 0.00 0.00 43.02 42.14 3hxk s PHE 122 CO 0.02 0.63 -0.21 -0.51 0.70 0.00 0.00 175.22 175.84 3hxk s LEU 123 N -3.59 2.27 0.13 -0.37 1.43 -0.57 0.27 118.68 118.25 3hxk s LEU 123 Ca 0.32 -0.45 0.09 0.00 -1.03 0.00 0.00 54.13 53.06 3hxk s LEU 123 Cb -0.01 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 3hxk s LEU 123 CO 0.16 0.22 -0.22 -0.22 0.23 0.00 0.00 176.35 176.52 3hxk s LEU 124 N -0.01 2.35 -0.15 1.79 2.96 0.26 -0.91 118.68 124.97 3hxk s LEU 124 Ca -0.07 -0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 52.78 3hxk s LEU 124 Cb -0.15 -0.99 0.12 0.00 0.50 0.00 0.00 46.19 45.68 3hxk s LEU 124 CO 0.05 0.08 0.98 -0.83 -1.32 0.00 0.00 176.35 175.31 3hxk s GLY 125 N -2.19 -0.29 0.04 7.98 0.00 -0.87 0.12 107.32 112.10 3hxk s GLY 125 Ca 0.12 1.93 0.01 0.00 0.00 0.00 0.00 44.72 46.78 3hxk s GLY 125 CO 0.06 0.98 -0.05 0.00 0.00 0.00 0.00 173.10 174.08 3hxk n SER 127 N 1.30 0.00 -0.26 0.00 2.88 0.22 -0.44 113.62 117.32 3hxk n SER 127 Ca -0.22 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.35 3hxk n SER 127 Cb 0.56 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.17 3hxk n SER 127 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hxk h ALA 128 N -0.63 1.03 -0.44 -1.46 0.00 -1.90 0.46 119.26 116.33 3hxk h ALA 128 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3hxk h ALA 128 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hxk h ALA 128 CO 0.00 -0.05 0.61 0.78 0.00 0.00 0.00 179.25 180.59 3hxk h GLY 129 N 0.61 0.00 0.63 0.00 0.00 -0.90 0.57 103.07 103.98 3hxk h GLY 129 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 3hxk h GLY 129 CO -0.29 0.00 -0.34 -1.33 0.00 0.00 0.00 176.54 174.59 3hxk h GLY 130 N 0.00 0.32 -0.58 4.60 0.00 0.73 -3.15 103.07 105.00 3hxk h GLY 130 Ca 0.21 -0.50 0.14 0.00 0.00 0.00 0.00 47.33 47.18 3hxk h GLY 130 CO -0.00 0.44 -0.27 0.84 0.00 0.00 0.00 176.54 177.55 3hxk h HIS 131 N -0.26 -0.68 -0.87 5.60 -0.00 0.32 0.61 115.15 119.87 3hxk h HIS 131 Ca -0.03 0.08 0.09 0.00 -0.00 0.00 0.00 60.37 60.50 3hxk h HIS 131 Cb 1.03 0.41 -0.07 0.00 -0.00 0.00 0.00 27.41 28.78 3hxk h HIS 131 CO 0.15 -0.36 0.52 1.25 -0.00 0.00 0.00 177.93 179.49 3hxk h LEU 132 N -0.06 0.78 0.41 0.26 5.85 -1.57 0.35 115.31 121.34 3hxk h LEU 132 Ca 0.32 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 3hxk h LEU 132 Cb 0.57 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3hxk h LEU 132 CO -0.79 0.46 -0.32 0.00 -0.34 0.00 0.00 178.44 177.45 3hxk h ALA 133 N 1.45 -0.74 -0.94 1.25 0.00 0.20 0.21 119.26 120.69 3hxk h ALA 133 Ca 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3hxk h ALA 133 Cb 0.31 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3hxk h ALA 133 CO -0.22 -0.94 0.57 0.00 0.00 0.00 0.00 179.25 178.66 3hxk h ALA 134 N -0.25 1.20 0.38 0.00 0.00 -0.91 -1.14 119.26 118.55 3hxk h ALA 134 Ca -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hxk h ALA 134 Cb 0.63 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hxk h ALA 134 CO -0.00 0.66 -0.52 2.35 0.00 0.00 0.00 179.25 181.74 3hxk h TRP 135 N 1.30 -1.46 0.00 0.00 -0.00 -0.46 0.18 115.95 115.52 3hxk h TRP 135 Ca 0.34 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.25 3hxk h TRP 135 Cb -0.06 0.59 0.00 0.00 -0.00 0.00 0.00 29.16 29.69 3hxk h TRP 135 CO 0.01 -0.65 0.00 0.98 -0.00 0.00 0.00 178.44 178.77 3hxk n TYR 136 N -5.52 0.56 -0.07 2.65 9.36 0.69 -3.38 117.16 121.46 3hxk n TYR 136 Ca -0.11 0.29 0.00 0.00 3.32 0.00 0.00 57.90 61.40 3hxk n TYR 136 Cb 0.45 -0.96 0.00 0.00 -0.63 0.00 0.00 39.34 38.20 3hxk n TYR 136 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hxk n GLY 137 N -1.25 1.34 0.00 2.98 0.00 0.63 -4.64 105.19 104.25 3hxk n GLY 137 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hxk n GLY 137 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hxk n ASN 138 N 1.52 0.00 -1.93 1.61 6.94 -1.22 -4.54 115.26 117.64 3hxk n ASN 138 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3hxk n ASN 138 Cb 0.24 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 3hxk n ASN 138 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3hxk n SER 139 N 0.00 -3.64 -0.45 0.53 7.64 -1.26 -5.05 113.62 111.39 3hxk n SER 139 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3hxk n SER 139 Cb 0.00 -2.22 0.00 0.00 -1.01 0.00 0.00 64.21 60.98 3hxk n SER 139 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hxk n GLU 140 N -1.16 0.00 0.00 1.43 -0.58 -1.26 -5.10 120.64 113.97 3hxk n GLU 140 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hxk n GLU 140 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 3hxk n GLU 140 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3hxk n GLN 141 N 0.00 0.00 -0.62 3.49 -0.06 -1.26 -4.92 117.38 114.01 3hxk n GLN 141 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.97 3hxk n GLN 141 Cb 0.00 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.13 3hxk n GLN 141 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 3hxk n ILE 142 N 0.00 2.22 -1.63 1.69 5.41 -1.26 -1.59 119.36 124.19 3hxk n ILE 142 Ca 0.00 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 62.99 3hxk n ILE 142 Cb 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 3hxk n ILE 142 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3hxk n HIS 143 N 1.80 0.00 -2.92 1.39 8.25 -1.26 -4.87 115.22 117.61 3hxk n HIS 143 Ca 0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 3hxk n HIS 143 Cb 0.60 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.67 3hxk n HIS 143 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hxk s ARG 144 N 0.00 4.29 0.02 -0.41 1.81 -0.62 -4.96 118.95 119.08 3hxk s ARG 144 Ca 0.00 0.97 -0.30 0.00 -1.72 0.00 0.00 55.73 54.67 3hxk s ARG 144 Cb 0.00 -3.57 -0.05 0.00 -0.45 0.00 0.00 34.95 30.88 3hxk s ARG 144 CO 0.00 -0.30 1.27 -1.25 -0.68 0.00 0.00 175.30 174.34 3hxk s PRO 145 N 2.06 4.36 0.00 3.54 0.04 -1.26 -4.87 135.00 138.86 3hxk s PRO 145 Ca 0.37 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3hxk s PRO 145 Cb -0.17 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.92 3hxk s PRO 145 CO 0.12 -0.41 0.93 1.63 0.04 0.00 0.00 177.00 179.32 3hxk n LYS 146 N 4.66 0.00 0.00 4.56 4.01 -0.72 -4.71 118.16 125.97 3hxk n LYS 146 Ca 0.11 0.44 0.00 0.00 -0.51 0.00 0.00 58.31 58.34 3hxk n LYS 146 Cb 0.45 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 3hxk n LYS 146 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hxk n GLY 147 N -1.43 0.79 3.08 0.72 0.00 -1.26 -4.30 105.19 102.78 3hxk n GLY 147 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 3hxk n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hxk s VAL 148 N -2.00 0.39 -0.02 1.61 -7.23 -0.67 -1.51 120.40 110.96 3hxk s VAL 148 Ca 0.00 -1.47 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 3hxk s VAL 148 Cb 0.00 -1.07 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 3hxk s VAL 148 CO 0.00 -0.71 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.26 3hxk s ILE 149 N -2.71 1.53 -0.27 -0.62 1.01 -0.09 -1.17 121.20 118.88 3hxk s ILE 149 Ca -0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3hxk s ILE 149 Cb -0.01 -1.28 0.08 0.00 0.01 0.00 0.00 42.46 41.26 3hxk s ILE 149 CO -0.04 0.43 0.06 -0.76 0.00 0.00 0.00 174.94 174.63 3hxk s LEU 150 N -0.31 1.98 -0.23 2.97 1.43 0.80 -2.05 118.68 123.27 3hxk s LEU 150 Ca 0.04 -1.36 -0.26 0.00 -1.03 0.00 0.00 54.13 51.52 3hxk s LEU 150 Cb -0.09 -0.82 -0.00 0.00 0.03 0.00 0.00 46.19 45.31 3hxk s LEU 150 CO 0.00 -0.36 0.88 0.00 0.23 0.00 0.00 176.35 177.10 3hxk n TYR 152 N 6.01 -0.78 -1.75 0.00 4.11 -0.22 -0.02 117.16 124.50 3hxk n TYR 152 Ca 0.07 0.21 -0.29 0.00 -0.00 0.00 0.00 57.90 57.89 3hxk n TYR 152 Cb 0.47 -1.26 0.12 0.00 -0.00 0.00 0.00 39.34 38.67 3hxk n TYR 152 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 3hxk s PRO 153 N -4.70 1.48 -0.31 -3.48 0.04 -1.26 0.72 135.00 127.48 3hxk s PRO 153 Ca 0.11 0.13 -0.07 0.00 0.04 0.00 0.00 61.00 61.20 3hxk s PRO 153 Cb -0.06 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.60 3hxk s PRO 153 CO 0.43 -1.93 0.10 0.08 0.04 0.00 0.00 177.00 175.71 3hxk s VAL 154 N -3.49 3.99 0.04 -0.36 1.01 -1.00 -4.62 120.40 115.98 3hxk s VAL 154 Ca 0.64 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 3hxk s VAL 154 Cb -0.12 -3.12 -0.33 0.00 0.00 0.00 0.00 36.38 32.82 3hxk s VAL 154 CO 0.51 -0.00 1.04 0.74 0.00 0.00 0.00 175.10 177.38 3hxk h THR 155 N 5.93 1.35 -1.91 3.92 2.02 -1.93 -3.29 112.91 119.00 3hxk h THR 155 Ca -0.29 -2.83 0.02 0.00 0.77 0.00 0.00 66.41 64.08 3hxk h THR 155 Cb 1.12 3.00 -0.20 0.00 -1.74 0.00 0.00 68.15 70.33 3hxk h THR 155 CO 0.61 0.84 0.38 -0.55 0.37 0.00 0.00 175.52 177.17 3hxk s SER 156 N -7.42 -0.50 0.00 4.18 0.15 -1.26 -1.69 113.70 107.17 3hxk s SER 156 Ca -0.07 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.03 3hxk s SER 156 Cb 0.05 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3hxk s SER 156 CO 0.92 -0.52 0.42 0.49 1.20 0.00 0.00 173.24 175.75 3hxk n PHE 157 N 0.62 0.00 -0.07 3.44 0.99 -1.24 -1.57 117.46 119.63 3hxk n PHE 157 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 3hxk n PHE 157 Cb 0.58 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 39.02 3hxk n PHE 157 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3hxk n THR 158 N -0.02 0.45 -3.57 4.37 -2.24 -1.21 -4.14 114.28 107.93 3hxk n THR 158 Ca 0.00 -0.69 -0.36 0.00 -2.27 0.00 0.00 64.05 60.73 3hxk n THR 158 Cb 0.12 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 3hxk n THR 158 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hxk n PHE 159 N -0.23 4.00 0.00 4.78 0.99 -0.61 -4.80 117.46 121.59 3hxk n PHE 159 Ca 0.00 -4.01 0.00 0.00 -0.00 0.00 0.00 57.45 53.44 3hxk n PHE 159 Cb 0.14 -1.09 0.00 0.00 -1.00 0.00 0.00 39.48 37.54 3hxk n PHE 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hxk n GLY 160 N 2.06 0.14 2.97 1.37 0.00 -1.26 -4.57 105.19 105.89 3hxk n GLY 160 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 3hxk n GLY 160 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hxk s TRP 161 N -0.99 -0.05 0.32 1.61 -0.00 -1.26 -3.71 118.94 114.86 3hxk s TRP 161 Ca 0.00 0.13 -0.29 0.00 -0.00 0.00 0.00 56.10 55.94 3hxk s TRP 161 Cb 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 33.47 33.37 3hxk s TRP 161 CO 0.00 -0.07 1.55 -2.14 -0.00 0.00 0.00 176.95 176.29 3hxk s PRO 162 N -0.18 4.13 0.22 5.86 0.02 -1.26 -3.31 135.00 140.48 3hxk s PRO 162 Ca -0.02 2.56 -0.08 0.00 0.02 0.00 0.00 61.00 63.48 3hxk s PRO 162 Cb -0.02 -3.01 0.36 0.00 0.02 0.00 0.00 34.50 31.85 3hxk s PRO 162 CO 0.00 -0.59 1.69 0.77 -0.33 0.00 0.00 177.00 178.55 3hxk h SER 163 N 4.23 -0.01 -3.36 2.53 0.02 -1.87 -3.39 113.55 111.70 3hxk h SER 163 Ca -0.48 0.13 -0.58 0.00 -0.84 0.00 0.00 61.79 60.02 3hxk h SER 163 Cb 1.23 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.86 3hxk h SER 163 CO 0.74 -0.02 -0.08 -1.81 -1.14 0.00 0.00 176.83 174.53 3hxk s ASP 164 N -5.27 6.70 0.28 3.07 -0.00 -1.26 -4.96 116.67 115.23 3hxk s ASP 164 Ca -0.13 0.84 0.01 0.00 -0.00 0.00 0.00 52.55 53.27 3hxk s ASP 164 Cb 0.19 -2.31 0.56 0.00 -0.00 0.00 0.00 42.92 41.37 3hxk s ASP 164 CO 0.75 -0.06 1.82 -0.07 -0.00 0.00 0.00 175.17 177.61 3hxk h LEU 165 N 7.01 0.86 -7.33 1.23 3.38 -2.01 -3.36 115.31 115.09 3hxk h LEU 165 Ca -0.39 0.06 -0.62 0.00 0.09 0.00 0.00 57.88 57.01 3hxk h LEU 165 Cb 1.17 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 41.41 3hxk h LEU 165 CO 0.75 0.43 -0.72 -0.44 0.09 0.00 0.00 178.44 178.55 3hxk s SER 166 N -5.62 4.24 0.00 -0.43 0.01 -1.26 -4.80 113.70 105.84 3hxk s SER 166 Ca -0.12 -2.18 0.00 0.00 1.31 0.00 0.00 55.95 54.96 3hxk s SER 166 Cb 0.22 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 65.20 3hxk s SER 166 CO 0.80 -0.35 0.00 1.57 0.41 0.00 0.00 173.24 175.67 3hxk n HIS 167 N 4.17 0.00 0.94 2.43 -0.00 -1.26 -4.83 115.22 116.67 3hxk n HIS 167 Ca 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.75 3hxk n HIS 167 Cb 0.39 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.41 3hxk n HIS 167 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3hxk n PHE 168 N 0.00 0.00 -2.14 1.57 3.01 -1.26 -4.64 117.46 113.99 3hxk n PHE 168 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 3hxk n PHE 168 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 3hxk n PHE 168 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3hxk s ASN 169 N -1.56 5.68 -0.51 4.37 -0.87 -1.26 -4.87 114.94 115.92 3hxk s ASN 169 Ca 0.02 0.53 0.03 0.00 -1.57 0.00 0.00 52.86 51.87 3hxk s ASN 169 Cb 0.01 -2.53 0.42 0.00 -0.02 0.00 0.00 41.25 39.12 3hxk s ASN 169 CO 0.01 -2.02 1.38 0.49 -2.57 0.00 0.00 177.10 174.40 3hxk n PHE 170 N 11.19 3.18 -2.95 2.20 3.01 -1.26 -5.05 117.46 127.77 3hxk n PHE 170 Ca 0.18 -2.77 0.00 0.00 1.01 0.00 0.00 57.45 55.88 3hxk n PHE 170 Cb 0.50 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 3hxk n PHE 170 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3hxk n GLU 171 N -0.58 0.00 -2.61 -1.08 4.07 -1.26 -4.65 120.64 114.53 3hxk n GLU 171 Ca 0.45 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.52 3hxk n GLU 171 Cb 0.64 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.00 3hxk n GLU 171 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3hxk n ILE 172 N 0.00-12.31 0.23 6.31 2.08 -1.26 -4.93 119.36 109.49 3hxk n ILE 172 Ca 0.00 2.32 -0.16 0.00 0.56 0.00 0.00 62.75 65.47 3hxk n ILE 172 Cb 0.00 -6.66 -0.09 0.00 -0.75 0.00 0.00 39.64 32.14 3hxk n ILE 172 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3hxk h GLU 173 N 3.53 -0.84 -5.22 0.38 3.07 -2.06 -3.38 114.58 110.05 3hxk h GLU 173 Ca -0.31 0.06 -0.33 0.00 -0.50 0.00 0.00 59.36 58.28 3hxk h GLU 173 Cb 0.70 0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.75 3hxk h GLU 173 CO 0.05 -0.56 1.37 0.27 -1.40 0.00 0.00 179.01 178.74 3hxk n ASN 174 N -5.26 0.65 -0.07 1.42 6.94 -1.26 -4.66 115.26 113.01 3hxk n ASN 174 Ca -0.10 -0.60 -0.05 0.00 -0.02 0.00 0.00 54.58 53.81 3hxk n ASN 174 Cb 0.42 -1.15 -0.15 0.00 -2.36 0.00 0.00 39.78 36.53 3hxk n ASN 174 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hxk n ILE 175 N 7.40 1.01 0.29 1.53 3.06 -1.26 -4.19 119.36 127.20 3hxk n ILE 175 Ca 0.55 -0.73 0.17 0.00 -2.50 0.00 0.00 62.75 60.25 3hxk n ILE 175 Cb 0.28 -0.38 0.88 0.00 0.54 0.00 0.00 39.64 40.95 3hxk n ILE 175 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 3hxk h SER 176 N 0.00 0.00 -0.05 9.51 0.02 -1.96 -2.09 113.55 118.98 3hxk h SER 176 Ca -0.40 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.47 3hxk h SER 176 Cb 1.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.42 3hxk h SER 176 CO 0.02 0.05 -0.21 -0.08 -1.14 0.00 0.00 176.83 175.47 3hxk h GLU 177 N 0.00 0.44 -0.99 3.45 4.57 -1.95 -2.91 114.58 117.19 3hxk h GLU 177 Ca -0.00 -0.15 -0.14 0.00 -1.18 0.00 0.00 59.36 57.89 3hxk h GLU 177 Cb 0.26 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.72 3hxk h GLU 177 CO 0.01 0.63 0.18 0.66 -1.18 0.00 0.00 179.01 179.31 3hxk n TYR 178 N -4.15 0.91 -3.73 0.92 0.53 -0.78 -4.61 117.16 106.24 3hxk n TYR 178 Ca -0.00 -0.85 -0.36 0.00 -1.02 0.00 0.00 57.90 55.67 3hxk n TYR 178 Cb 0.37 -0.44 -0.10 0.00 -1.03 0.00 0.00 39.34 38.14 3hxk n TYR 178 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 3hxk s ASN 179 N 0.25 5.26 0.00 7.72 2.47 -1.10 -3.94 114.94 125.60 3hxk s ASN 179 Ca 0.17 -2.59 0.06 0.00 0.42 0.00 0.00 52.86 50.93 3hxk s ASN 179 Cb 0.14 -1.85 0.36 0.00 -1.45 0.00 0.00 41.25 38.45 3hxk s ASN 179 CO 0.03 -0.43 0.79 2.30 -3.72 0.00 0.00 177.10 176.08 3hxk n ILE 180 N 3.85 0.00 0.01 -5.21 -6.64 -0.68 -3.01 119.36 107.68 3hxk n ILE 180 Ca 0.04 0.00 -0.11 0.00 -1.77 0.00 0.00 62.75 60.92 3hxk n ILE 180 Cb 0.39 -0.49 -0.09 0.00 -1.44 0.00 0.00 39.64 38.01 3hxk n ILE 180 CO 0.00 0.00 0.00 -1.28 -1.77 0.00 0.00 176.55 173.50 3hxk h SER 181 N 0.00 -0.10 -0.70 7.28 0.87 -1.92 -3.25 113.55 115.73 3hxk h SER 181 Ca 0.00 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 3hxk h SER 181 Cb 0.00 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3hxk h SER 181 CO 0.00 0.55 0.39 -0.33 -0.53 0.00 0.00 176.83 176.91 3hxk h GLU 182 N -0.86 0.98 -1.31 2.24 3.07 -1.89 -2.83 114.58 113.99 3hxk h GLU 182 Ca -0.01 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3hxk h GLU 182 Cb 0.59 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3hxk h GLU 182 CO 0.02 0.72 0.00 1.63 -1.40 0.00 0.00 179.01 179.98 3hxk n LYS 183 N -4.37 0.35 -4.39 2.33 4.01 -1.23 -4.68 118.16 110.18 3hxk n LYS 183 Ca 0.07 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.53 3hxk n LYS 183 Cb 0.10 -1.29 -0.14 0.00 -0.51 0.00 0.00 35.03 33.19 3hxk n LYS 183 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3hxk s VAL 184 N 0.22 3.34 0.34 -0.18 1.01 -1.07 -4.87 120.40 119.19 3hxk s VAL 184 Ca 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3hxk s VAL 184 Cb 0.00 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3hxk s VAL 184 CO 0.00 0.48 0.18 0.35 0.00 0.00 0.00 175.10 176.11 3hxk n THR 185 N 3.96 0.00 0.24 3.92 -2.24 -1.26 -5.00 114.28 113.89 3hxk n THR 185 Ca -0.18 -2.15 0.14 0.00 -2.27 0.00 0.00 64.05 59.59 3hxk n THR 185 Cb 0.52 0.90 0.80 0.00 -2.10 0.00 0.00 70.33 70.45 3hxk n THR 185 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hxk h SER 186 N 1.61 0.00 1.38 3.42 0.02 -1.97 0.36 113.55 118.38 3hxk h SER 186 Ca -0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 3hxk h SER 186 Cb 1.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 3hxk h SER 186 CO 0.39 0.00 -0.03 0.77 -1.14 0.00 0.00 176.83 176.82 3hxk h SER 187 N 0.00 0.00 -2.05 3.07 4.64 -1.95 -3.46 113.55 113.80 3hxk h SER 187 Ca 0.04 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.74 3hxk h SER 187 Cb 0.22 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.36 3hxk h SER 187 CO -0.00 0.03 0.73 0.41 -0.87 0.00 0.00 176.83 177.13 3hxk n THR 188 N -3.12 0.07 -1.06 2.95 -1.04 0.11 -4.94 114.28 107.24 3hxk n THR 188 Ca 0.02 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 3hxk n THR 188 Cb 0.41 -1.35 0.12 0.00 -1.82 0.00 0.00 70.33 67.69 3hxk n THR 188 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3hxk s PRO 189 N 1.18 1.76 0.41 -2.82 0.04 -1.26 -4.89 135.00 129.43 3hxk s PRO 189 Ca 0.82 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 3hxk s PRO 189 Cb -0.78 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 3hxk s PRO 189 CO 0.43 -2.05 1.39 -2.30 0.04 0.00 0.00 177.00 174.51 3hxk n PRO 190 N -3.72 2.26 -4.16 0.56 -0.02 -1.26 -4.77 135.00 123.89 3hxk n PRO 190 Ca 0.11 0.80 -0.12 0.00 -2.02 0.00 0.00 63.50 62.27 3hxk n PRO 190 Cb 0.52 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 3hxk n PRO 190 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hxk s THR 191 N -1.17 0.75 -0.16 3.45 -4.23 -1.16 -1.68 115.64 111.44 3hxk s THR 191 Ca 0.58 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 3hxk s THR 191 Cb -0.48 -1.53 0.02 0.00 1.34 0.00 0.00 72.50 71.85 3hxk s THR 191 CO 0.60 -0.77 -0.18 0.12 -0.54 0.00 0.00 174.62 173.85 3hxk s PHE 192 N -3.19 2.49 -0.04 3.99 2.19 -0.32 -1.65 117.98 121.45 3hxk s PHE 192 Ca 0.09 -1.40 0.02 0.00 0.33 0.00 0.00 56.93 55.96 3hxk s PHE 192 Cb 0.02 -1.75 0.01 0.00 -1.31 0.00 0.00 43.02 39.99 3hxk s PHE 192 CO -0.03 -0.71 -0.07 0.42 1.83 0.00 0.00 175.22 176.66 3hxk s ILE 193 N 1.27 0.66 0.10 3.12 1.09 -0.74 -0.14 121.20 126.56 3hxk s ILE 193 Ca 0.02 -0.23 0.03 0.00 -1.10 0.00 0.00 60.65 59.37 3hxk s ILE 193 Cb -0.13 -0.64 -0.04 0.00 -1.06 0.00 0.00 42.46 40.59 3hxk s ILE 193 CO -0.10 0.24 -0.08 -1.66 -0.10 0.00 0.00 174.94 173.24 3hxk s TRP 194 N 0.62 0.99 -0.23 3.97 1.48 -1.17 -1.33 118.94 123.27 3hxk s TRP 194 Ca -0.09 -0.80 -0.27 0.00 -1.06 0.00 0.00 56.10 53.89 3hxk s TRP 194 Cb -0.12 -0.55 0.10 0.00 -1.16 0.00 0.00 33.47 31.74 3hxk s TRP 194 CO 0.01 -0.06 0.91 -1.58 -4.06 0.00 0.00 176.95 172.17 3hxk s HIS 195 N -3.15 -0.55 -0.12 1.66 2.46 -0.50 -1.06 115.29 114.02 3hxk s HIS 195 Ca 0.10 1.25 -0.29 0.00 0.47 0.00 0.00 55.06 56.59 3hxk s HIS 195 Cb 0.02 0.36 -0.01 0.00 -0.13 0.00 0.00 32.58 32.82 3hxk s HIS 195 CO -0.02 -0.33 0.98 0.95 -2.47 0.00 0.00 174.74 173.85 3hxk s THR 196 N -0.12 4.80 -0.46 0.89 -4.23 -1.26 -1.98 115.64 113.27 3hxk s THR 196 Ca -0.00 1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 62.43 3hxk s THR 196 Cb -0.04 -4.29 -0.15 0.00 1.34 0.00 0.00 72.50 69.37 3hxk s THR 196 CO -0.01 0.00 2.66 0.00 -0.54 0.00 0.00 174.62 176.73 3hxk n ALA 197 N 5.09 5.29 -0.37 3.99 0.00 0.27 -1.88 120.51 132.90 3hxk n ALA 197 Ca 0.08 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.70 3hxk n ALA 197 Cb 0.49 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.31 3hxk n ALA 197 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hxk n ASP 198 N 3.14 0.00 -4.59 0.00 5.75 -1.26 -4.73 116.55 114.86 3hxk n ASP 198 Ca 0.42 -0.18 -0.45 0.00 -0.01 0.00 0.00 54.79 54.57 3hxk n ASP 198 Cb 0.48 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.53 3hxk n ASP 198 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3hxk n ASP 199 N 0.00 3.25 0.18 -1.12 4.64 -0.79 -4.85 116.55 117.87 3hxk n ASP 199 Ca 0.00 0.44 0.08 0.00 -1.38 0.00 0.00 54.79 53.93 3hxk n ASP 199 Cb 0.07 -1.48 0.10 0.00 -1.04 0.00 0.00 41.12 38.76 3hxk n ASP 199 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 3hxk h GLU 200 N 13.23 0.00 -0.41 -0.67 4.57 -1.92 -3.26 114.58 126.11 3hxk h GLU 200 Ca -0.41 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.62 3hxk h GLU 200 Cb 1.26 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 3hxk h GLU 200 CO 0.97 0.23 -0.31 0.78 -1.18 0.00 0.00 179.01 179.49 3hxk h GLY 201 N 3.77 1.01 -6.32 1.92 0.00 -1.96 -3.43 103.07 98.06 3hxk h GLY 201 Ca -0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 47.33 46.19 3hxk h GLY 201 CO 0.03 0.87 -0.48 0.54 0.00 0.00 0.00 176.54 177.51 3hxk s VAL 202 N -4.50 -0.51 0.44 4.60 0.11 -1.23 -4.73 120.40 114.57 3hxk s VAL 202 Ca -0.11 0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 58.88 3hxk s VAL 202 Cb 0.12 -0.57 -0.09 0.00 -1.53 0.00 0.00 36.38 34.30 3hxk s VAL 202 CO 0.87 0.06 1.13 -2.65 -3.33 0.00 0.00 175.10 171.18 3hxk n PRO 203 N 5.36 1.56 0.17 1.54 -0.02 -1.24 -4.60 135.00 137.78 3hxk n PRO 203 Ca -0.07 0.56 0.18 0.00 -2.02 0.00 0.00 63.50 62.16 3hxk n PRO 203 Cb 0.50 -2.21 0.80 0.00 -0.02 0.00 0.00 33.50 32.56 3hxk n PRO 203 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3hxk h ILE 204 N 1.67 0.39 -0.99 4.25 -0.00 -1.82 -1.55 117.51 119.46 3hxk h ILE 204 Ca -0.46 0.00 0.25 0.00 -0.00 0.00 0.00 64.86 64.65 3hxk h ILE 204 Cb 1.32 0.74 -0.19 0.00 -0.00 0.00 0.00 36.82 38.70 3hxk h ILE 204 CO 0.58 0.00 -0.06 0.22 -0.00 0.00 0.00 178.15 178.89 3hxk h TYR 205 N 0.00 -0.19 -0.78 0.16 3.20 -1.96 0.37 116.97 117.75 3hxk h TYR 205 Ca 0.13 0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.14 3hxk h TYR 205 Cb 0.75 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 39.18 3hxk h TYR 205 CO 0.00 -0.44 -0.46 0.09 -1.64 0.00 0.00 178.16 175.71 3hxk n ASN 206 N -5.53 -0.83 -0.11 -2.11 3.02 -0.58 0.44 115.26 109.55 3hxk n ASN 206 Ca 0.21 1.60 -0.13 0.00 -0.03 0.00 0.00 54.58 56.23 3hxk n ASN 206 Cb 0.69 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 3hxk n ASN 206 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hxk h SER 207 N 0.00 0.86 0.01 6.41 0.02 -0.70 -2.40 113.55 117.75 3hxk h SER 207 Ca 0.13 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3hxk h SER 207 Cb 0.32 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3hxk h SER 207 CO -0.74 1.14 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.00 3hxk h LEU 208 N 0.59 -0.08 -0.98 5.07 3.38 0.18 0.11 115.31 123.60 3hxk h LEU 208 Ca 0.06 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.19 3hxk h LEU 208 Cb 0.88 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.56 3hxk h LEU 208 CO 0.08 -0.03 0.59 0.50 0.09 0.00 0.00 178.44 179.67 3hxk h LYS 209 N -0.04 0.81 -0.53 1.13 3.11 -0.13 0.64 116.57 121.56 3hxk h LYS 209 Ca -0.00 -0.05 0.06 0.00 -2.81 0.00 0.00 60.65 57.85 3hxk h LYS 209 Cb 0.04 -0.18 -0.05 0.00 -1.00 0.00 0.00 32.23 31.03 3hxk h LYS 209 CO -0.01 0.53 0.23 -0.92 -2.81 0.00 0.00 179.45 176.47 3hxk h TYR 210 N 0.83 0.42 -0.12 1.91 3.20 -0.90 0.52 116.97 122.83 3hxk h TYR 210 Ca 0.53 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.45 3hxk h TYR 210 Cb 0.70 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 3hxk h TYR 210 CO -0.02 0.17 -0.07 0.00 -1.64 0.00 0.00 178.16 176.60 3hxk h ASP 212 N -0.07 -1.45 0.00 0.00 -0.00 -0.94 0.45 116.42 114.42 3hxk h ASP 212 Ca 0.07 0.15 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 3hxk h ASP 212 Cb 0.17 0.52 0.00 0.00 -0.00 0.00 0.00 39.33 40.03 3hxk h ASP 212 CO -0.16 -0.56 0.00 -1.14 -0.00 0.00 0.00 179.24 177.37 3hxk n ARG 213 N -5.50 0.64 0.00 0.28 3.00 0.12 -1.54 116.66 113.67 3hxk n ARG 213 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 3hxk n ARG 213 Cb 0.42 -1.20 0.00 0.00 0.00 0.00 0.00 32.46 31.67 3hxk n ARG 213 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3hxk n LEU 214 N 0.61 0.00 0.10 6.15 7.94 0.36 -4.79 117.00 127.36 3hxk n LEU 214 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 3hxk n LEU 214 Cb 0.30 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.09 3hxk n LEU 214 CO 0.00 0.00 -0.42 0.77 -1.11 0.00 0.00 177.39 176.63 3hxk h SER 215 N 0.00 0.69 -0.01 1.96 4.64 0.83 -2.81 113.55 118.85 3hxk h SER 215 Ca 0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 3hxk h SER 215 Cb 0.22 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3hxk h SER 215 CO 0.00 1.75 0.15 0.11 -0.87 0.00 0.00 176.83 177.97 3hxk h LYS 216 N 0.09 0.00 -0.76 4.77 1.79 -1.66 0.64 116.57 121.44 3hxk h LYS 216 Ca -0.31 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 57.87 3hxk h LYS 216 Cb 2.10 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 32.58 3hxk h LYS 216 CO 0.21 0.00 0.34 0.72 -1.08 0.00 0.00 179.45 179.64 3hxk n HIS 217 N -3.06 2.44 -4.32 -1.35 8.25 -1.24 -4.93 115.22 111.02 3hxk n HIS 217 Ca -0.02 -1.42 -0.34 0.00 -0.26 0.00 0.00 57.72 55.67 3hxk n HIS 217 Cb 0.22 -0.73 -0.07 0.00 1.12 0.00 0.00 29.99 30.52 3hxk n HIS 217 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3hxk n GLN 218 N -0.57 -1.58 -3.39 -0.41 6.02 0.22 -4.34 117.38 113.34 3hxk n GLN 218 Ca 0.45 0.20 -0.39 0.00 -0.01 0.00 0.00 57.00 57.24 3hxk n GLN 218 Cb 1.42 -4.29 -0.09 0.00 1.02 0.00 0.00 30.24 28.30 3hxk n GLN 218 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hxk s VAL 219 N -3.83 5.17 0.03 5.09 1.01 -1.06 -5.04 120.40 121.77 3hxk s VAL 219 Ca 0.35 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 3hxk s VAL 219 Cb -0.20 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 3hxk s VAL 219 CO 0.98 0.11 1.69 -2.16 0.00 0.00 0.00 175.10 175.72 3hxk s PRO 220 N 2.07 4.19 0.28 2.72 0.04 -1.26 -4.64 135.00 138.40 3hxk s PRO 220 Ca 0.15 2.32 -0.14 0.00 0.04 0.00 0.00 61.00 63.36 3hxk s PRO 220 Cb -0.16 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 30.61 3hxk s PRO 220 CO 0.10 -0.79 0.57 -0.59 0.04 0.00 0.00 177.00 176.33 3hxk s PHE 221 N 3.26 0.27 0.00 0.56 -0.12 -1.26 -3.01 117.98 117.68 3hxk s PHE 221 Ca 0.75 -0.67 0.01 0.00 -0.05 0.00 0.00 56.93 56.98 3hxk s PHE 221 Cb -0.38 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 3hxk s PHE 221 CO 0.32 -1.12 -0.05 -2.00 -0.05 0.00 0.00 175.22 172.32 3hxk s GLU 222 N -3.74 0.39 0.06 1.99 2.12 -0.66 -4.98 118.70 113.88 3hxk s GLU 222 Ca 0.20 -0.22 0.04 0.00 0.36 0.00 0.00 54.97 55.34 3hxk s GLU 222 Cb -0.02 -0.36 -0.03 0.00 0.26 0.00 0.00 34.13 33.98 3hxk s GLU 222 CO 0.10 0.09 -0.11 0.00 -0.54 0.00 0.00 175.26 174.81 3hxk s ALA 223 N -0.23 0.90 -0.06 6.30 0.00 -1.26 -1.79 121.76 125.62 3hxk s ALA 223 Ca 0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 3hxk s ALA 223 Cb -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.11 3hxk s ALA 223 CO -0.00 0.04 0.15 -1.01 0.00 0.00 0.00 175.76 174.94 3hxk s HIS 224 N -1.57 -0.17 -0.18 0.00 3.76 -0.44 -4.99 115.29 111.70 3hxk s HIS 224 Ca -0.04 0.44 -0.02 0.00 -0.15 0.00 0.00 55.06 55.29 3hxk s HIS 224 Cb -0.08 -0.00 0.05 0.00 1.11 0.00 0.00 32.58 33.66 3hxk s HIS 224 CO 0.01 -0.12 0.02 -0.06 -0.85 0.00 0.00 174.74 173.74 3hxk s PHE 225 N 0.60 1.08 0.37 1.40 0.40 -1.26 -1.41 117.98 119.15 3hxk s PHE 225 Ca -0.04 -0.82 -0.18 0.00 -0.60 0.00 0.00 56.93 55.28 3hxk s PHE 225 Cb -0.06 -1.04 -0.10 0.00 0.51 0.00 0.00 43.02 42.33 3hxk s PHE 225 CO -0.03 -0.58 0.84 -0.06 0.70 0.00 0.00 175.22 176.09 3hxk s PHE 226 N 1.84 3.36 0.03 0.36 0.08 -0.84 -4.83 117.98 117.98 3hxk s PHE 226 Ca -0.00 1.43 -0.10 0.00 0.12 0.00 0.00 56.93 58.38 3hxk s PHE 226 Cb -0.16 -2.70 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 3hxk s PHE 226 CO -0.08 0.01 1.15 1.49 -0.10 0.00 0.00 175.22 177.70 3hxk h GLU 227 N 2.16 -0.22 -5.19 0.44 4.81 -1.91 0.78 114.58 115.45 3hxk h GLU 227 Ca -0.48 0.01 -0.46 0.00 -0.13 0.00 0.00 59.36 58.30 3hxk h GLU 227 Cb 1.18 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 30.47 3hxk h GLU 227 CO 0.63 -0.14 -0.61 0.45 -0.73 0.00 0.00 179.01 178.61 3hxk s SER 228 N -3.00 2.27 0.00 1.04 0.15 -1.26 -3.31 113.70 109.59 3hxk s SER 228 Ca -0.05 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.22 3hxk s SER 228 Cb 0.02 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 3hxk s SER 228 CO 0.17 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.59 3hxk n GLY 229 N -0.67 3.99 3.71 9.45 0.00 -1.26 -4.80 105.19 115.61 3hxk n GLY 229 Ca -0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 3hxk n GLY 229 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hxk s PRO 230 N -3.25 1.51 0.39 1.61 0.04 -1.26 -3.88 135.00 130.16 3hxk s PRO 230 Ca 0.00 1.22 -0.26 0.00 0.04 0.00 0.00 61.00 62.00 3hxk s PRO 230 Cb 0.00 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 3hxk s PRO 230 CO 0.00 -2.18 1.22 -1.58 0.04 0.00 0.00 177.00 174.50 3hxk s HIS 231 N -2.80 3.00 0.00 0.56 5.65 -1.26 -2.97 115.29 117.47 3hxk s HIS 231 Ca 0.64 1.50 0.00 0.00 0.25 0.00 0.00 55.06 57.45 3hxk s HIS 231 Cb -0.19 -3.50 0.00 0.00 -1.18 0.00 0.00 32.58 27.70 3hxk s HIS 231 CO 0.57 -1.59 0.00 0.41 -0.65 0.00 0.00 174.74 173.49 3hxk n GLY 232 N 0.68 0.63 0.60 1.59 0.00 -1.26 -4.93 105.19 102.49 3hxk n GLY 232 Ca 0.04 -0.00 0.41 0.00 0.00 0.00 0.00 46.02 46.46 3hxk n GLY 232 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hxk h VAL 233 N 0.00 0.21 0.00 1.61 3.04 -1.90 -3.46 116.25 115.76 3hxk h VAL 233 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3hxk h VAL 233 Cb 0.00 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 29.51 3hxk h VAL 233 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.57 176.32 3hxk n SER 234 N -3.97 0.00 0.05 3.17 2.88 -1.26 -1.16 113.62 113.33 3hxk n SER 234 Ca 0.32 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.99 3hxk n SER 234 Cb 1.54 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 65.41 3hxk n SER 234 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hxk n LEU 235 N 0.00 0.52 -0.68 2.46 4.77 -1.26 -4.91 117.00 117.90 3hxk n LEU 235 Ca 0.00 0.43 -0.09 0.00 -0.03 0.00 0.00 56.01 56.32 3hxk n LEU 235 Cb 0.00 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 3hxk n LEU 235 CO 0.00 -0.07 -0.08 0.00 -1.33 0.00 0.00 177.39 175.91 3hxk n ALA 236 N -1.68 -0.14 -2.83 -1.18 0.00 -0.31 -4.16 120.51 110.22 3hxk n ALA 236 Ca 0.06 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 3hxk n ALA 236 Cb 0.39 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 3hxk n ALA 236 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hxk s ASN 237 N -2.39 5.96 0.00 0.00 3.04 -1.26 -1.57 114.94 118.73 3hxk s ASN 237 Ca 0.00 -0.10 0.02 0.00 0.04 0.00 0.00 52.86 52.82 3hxk s ASN 237 Cb 0.00 -1.58 0.13 0.00 -1.54 0.00 0.00 41.25 38.27 3hxk s ASN 237 CO 0.00 -0.13 0.45 -2.11 -3.04 0.00 0.00 177.10 172.28 3hxk n ARG 238 N -1.37 0.13 -0.01 0.43 1.85 -1.26 -0.42 116.66 116.01 3hxk n ARG 238 Ca -0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.64 3hxk n ARG 238 Cb 0.58 -1.27 -0.14 0.00 -1.05 0.00 0.00 32.46 30.57 3hxk n ARG 238 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3hxk n THR 239 N -0.77 1.69 -3.74 8.89 -1.04 -1.26 -4.66 114.28 113.39 3hxk n THR 239 Ca 0.02 -0.73 -0.28 0.00 -2.04 0.00 0.00 64.05 61.01 3hxk n THR 239 Cb 0.01 -1.36 -0.12 0.00 -1.82 0.00 0.00 70.33 67.04 3hxk n THR 239 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3hxk s THR 240 N -2.58 1.92 0.00 12.58 -4.23 0.44 -4.95 115.64 118.82 3hxk s THR 240 Ca -0.13 -3.44 0.00 0.00 -1.18 0.00 0.00 61.69 56.95 3hxk s THR 240 Cb 0.07 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3hxk s THR 240 CO 0.80 -1.02 0.00 0.00 -0.54 0.00 0.00 174.62 173.86 3hxk n ALA 241 N 2.61 0.00 0.23 3.99 0.00 -1.25 -3.96 120.51 122.13 3hxk n ALA 241 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 3hxk n ALA 241 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 3hxk n ALA 241 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hxk h PRO 242 N 0.00 -0.59 0.00 0.00 0.13 -1.95 -3.47 132.00 126.12 3hxk h PRO 242 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3hxk h PRO 242 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 3hxk h PRO 242 CO 0.00 -0.28 0.00 -1.13 -0.23 0.00 0.00 178.00 176.36 3hxk n SER 243 N -5.22 0.88 0.03 1.44 3.41 -1.26 -5.04 113.62 107.87 3hxk n SER 243 Ca -0.10 -0.78 -0.16 0.00 -0.26 0.00 0.00 58.87 57.57 3hxk n SER 243 Cb 0.30 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 3hxk n SER 243 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hxk h ASP 244 N 0.00 0.75 0.01 4.04 3.32 -1.95 -3.18 116.42 119.42 3hxk h ASP 244 Ca 0.00 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.50 3hxk h ASP 244 Cb 0.00 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3hxk h ASP 244 CO 0.00 1.34 -0.00 0.00 -1.72 0.00 0.00 179.24 178.86 3hxk h ALA 245 N 0.63 1.53 -0.22 3.45 0.00 -1.99 -0.43 119.26 122.24 3hxk h ALA 245 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hxk h ALA 245 Cb 1.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hxk h ALA 245 CO 0.17 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.08 3hxk n TYR 246 N -3.86 0.28 -3.87 0.00 0.53 -1.20 -4.54 117.16 104.51 3hxk n TYR 246 Ca -0.03 -0.14 -0.33 0.00 -1.02 0.00 0.00 57.90 56.38 3hxk n TYR 246 Cb 0.08 0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.27 3hxk n TYR 246 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3hxk s LEU 248 N 0.19 3.04 0.12 0.00 1.43 -0.61 -4.98 118.68 117.88 3hxk s LEU 248 Ca 0.15 -1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 3hxk s LEU 248 Cb -0.23 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 3hxk s LEU 248 CO -0.03 -0.13 1.61 1.55 0.23 0.00 0.00 176.35 179.58 3hxk h PRO 249 N 7.87 0.64 -0.93 1.29 0.13 -1.95 -1.05 132.00 137.99 3hxk h PRO 249 Ca -0.29 -0.17 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3hxk h PRO 249 Cb 1.08 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.09 3hxk h PRO 249 CO 0.54 0.69 0.61 1.03 -0.23 0.00 0.00 178.00 180.64 3hxk h SER 250 N 0.48 1.07 0.08 1.44 0.87 -1.94 -2.50 113.55 113.06 3hxk h SER 250 Ca 0.12 -0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.46 3hxk h SER 250 Cb 0.36 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3hxk h SER 250 CO 0.01 0.78 -0.67 0.58 -0.53 0.00 0.00 176.83 177.00 3hxk h VAL 251 N 1.27 1.34 -0.08 2.23 2.07 -1.91 -3.02 116.25 118.13 3hxk h VAL 251 Ca 0.34 -1.97 0.02 0.00 0.82 0.00 0.00 66.70 65.91 3hxk h VAL 251 Cb -0.14 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3hxk h VAL 251 CO -0.07 0.61 0.31 -0.74 0.02 0.00 0.00 177.57 177.69 3hxk h HIS 252 N 0.39 0.00 -0.18 1.57 6.17 -0.72 -1.84 115.15 120.54 3hxk h HIS 252 Ca -0.02 0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.11 3hxk h HIS 252 Cb 1.25 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.17 3hxk h HIS 252 CO 0.05 0.00 0.26 0.00 0.71 0.00 0.00 177.93 178.95 3hxk h ARG 253 N 0.00 0.00 -0.57 5.26 3.08 -1.49 -2.67 114.38 117.99 3hxk h ARG 253 Ca 0.04 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3hxk h ARG 253 Cb 0.66 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 3hxk h ARG 253 CO -0.00 0.00 0.34 0.11 -1.07 0.00 0.00 179.97 179.35 3hxk h TRP 254 N 0.00 0.63 -0.07 3.04 5.08 -1.58 0.40 115.95 123.46 3hxk h TRP 254 Ca 0.09 0.02 0.02 0.00 1.08 0.00 0.00 58.89 60.09 3hxk h TRP 254 Cb 0.61 -0.20 -0.00 0.00 -3.00 0.00 0.00 29.16 26.56 3hxk h TRP 254 CO 0.00 0.36 0.10 -0.24 -1.28 0.00 0.00 178.44 177.37 3hxk h VAL 255 N 0.67 0.37 0.04 0.12 3.04 -1.72 1.12 116.25 119.89 3hxk h VAL 255 Ca 0.23 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.79 3hxk h VAL 255 Cb 0.03 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 3hxk h VAL 255 CO -0.10 0.00 -0.65 -1.28 -1.01 0.00 0.00 177.57 174.53 3hxk h SER 256 N 0.00 0.12 -0.10 3.17 0.87 -1.15 -2.65 113.55 113.81 3hxk h SER 256 Ca 0.03 -0.85 0.04 0.00 -1.23 0.00 0.00 61.79 59.79 3hxk h SER 256 Cb 0.22 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 3hxk h SER 256 CO -0.00 1.27 -0.20 -0.50 -0.53 0.00 0.00 176.83 176.88 3hxk h TRP 257 N -0.81 -0.51 -0.76 2.24 -0.00 0.43 -0.81 115.95 115.73 3hxk h TRP 257 Ca -0.16 0.02 0.12 0.00 -0.00 0.00 0.00 58.89 58.88 3hxk h TRP 257 Cb 1.28 0.24 -0.08 0.00 -0.00 0.00 0.00 29.16 30.60 3hxk h TRP 257 CO 0.20 -0.27 0.36 0.00 -0.00 0.00 0.00 178.44 178.72 3hxk h ALA 258 N 0.72 1.08 -0.04 1.49 0.00 0.11 0.25 119.26 122.88 3hxk h ALA 258 Ca 0.09 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hxk h ALA 258 Cb 0.39 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3hxk h ALA 258 CO -0.26 -0.10 -0.25 0.77 0.00 0.00 0.00 179.25 179.41 3hxk h SER 259 N 0.56 -0.74 -0.43 0.00 0.02 -0.78 0.17 113.55 112.35 3hxk h SER 259 Ca 0.40 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.49 3hxk h SER 259 Cb 0.51 0.31 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 3hxk h SER 259 CO -0.33 -0.31 0.21 0.44 -1.14 0.00 0.00 176.83 175.70 3hxk h ASP 260 N -0.36 0.30 0.32 3.07 5.19 -0.80 -2.06 116.42 122.07 3hxk h ASP 260 Ca 0.07 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3hxk h ASP 260 Cb 0.47 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 3hxk h ASP 260 CO -0.25 0.21 -0.48 -0.25 -3.12 0.00 0.00 179.24 175.35 3hxk h TRP 261 N 0.42 -1.36 -0.19 4.55 7.01 -0.25 0.33 115.95 126.47 3hxk h TRP 261 Ca 0.19 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.23 3hxk h TRP 261 Cb 0.10 0.55 -0.04 0.00 -2.10 0.00 0.00 29.16 27.67 3hxk h TRP 261 CO -0.11 -0.61 -0.31 -0.07 -2.79 0.00 0.00 178.44 174.55 3hxk h LEU 262 N -0.86 -1.04 -1.58 0.65 3.38 -0.81 0.40 115.31 115.46 3hxk h LEU 262 Ca -0.03 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.22 3hxk h LEU 262 Cb 0.79 0.42 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 3hxk h LEU 262 CO -0.16 -0.24 0.50 -0.33 0.09 0.00 0.00 178.44 178.30 3hxk h GLU 263 N -0.26 0.40 -0.55 1.13 5.08 -1.28 0.95 114.58 120.06 3hxk h GLU 263 Ca 0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hxk h GLU 263 Cb 0.35 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3hxk h GLU 263 CO -0.31 0.27 0.34 -0.09 -1.00 0.00 0.00 179.01 178.21 3hxk h ARG 264 N 0.42 0.74 -0.28 2.33 2.43 0.17 -1.18 114.38 119.00 3hxk h ARG 264 Ca 0.37 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.30 3hxk h ARG 264 Cb 0.83 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3hxk h ARG 264 CO -0.12 0.52 -0.52 1.96 -1.51 0.00 0.00 179.97 180.30 3hxk h GLN 265 N 0.76 0.84 0.05 0.20 1.08 0.26 -2.99 115.11 115.31 3hxk h GLN 265 Ca 0.20 -0.54 0.02 0.00 -1.45 0.00 0.00 58.65 56.89 3hxk h GLN 265 Cb -0.04 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 3hxk h GLN 265 CO -0.04 1.17 -0.23 0.82 -0.95 0.00 0.00 178.83 179.60 3hxk h ILE 266 N 0.62 0.48 -0.98 2.54 5.03 -0.14 -0.75 117.51 124.30 3hxk h ILE 266 Ca 0.01 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.94 3hxk h ILE 266 Cb 1.13 0.48 -0.09 0.00 -3.03 0.00 0.00 36.82 35.31 3hxk h ILE 266 CO 0.12 0.00 0.61 0.50 -0.68 0.00 0.00 178.15 178.70 3hxk h LYS 267 N -0.38 0.65 -2.72 2.37 1.63 -1.27 -2.01 116.57 114.83 3hxk h LYS 267 Ca 0.05 -0.04 -0.72 0.00 -0.85 0.00 0.00 60.65 59.09 3hxk h LYS 267 Cb 0.44 -0.15 -0.08 0.00 -0.60 0.00 0.00 32.23 31.84 3hxk h LYS 267 CO -0.17 0.43 2.80 0.09 -3.45 0.00 0.00 179.45 179.15 3hxk n ASN 268 N -4.67 8.25 0.00 4.20 4.13 -0.29 -4.51 115.26 122.37 3hxk n ASN 268 Ca 0.22 -2.98 0.00 0.00 1.68 0.00 0.00 54.58 53.49 3hxk n ASN 268 Cb 0.60 -1.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.42 3hxk n ASN 268 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3hxk n LEU 269 N 2.23 0.00 0.00 3.41 7.94 -0.76 -4.96 117.00 124.85 3hxk n LEU 269 Ca 0.67 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.57 3hxk n LEU 269 Cb 0.24 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.09 3hxk n LEU 269 CO 0.73 -0.31 0.15 1.21 -1.11 0.00 0.00 177.39 178.07