#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n PHE 2 N 0.00 0.04 -4.26 1.12 3.01 -1.26 -4.87 117.46 111.25 3hox n PHE 2 Ca 0.00 0.03 -0.26 0.00 1.01 0.00 0.00 57.45 58.23 3hox n PHE 2 Cb 0.00 -0.06 -0.07 0.00 -0.01 0.00 0.00 39.48 39.33 3hox n PHE 2 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3hox s PHE 3 N 0.06 2.44 -0.27 1.38 0.40 0.10 -4.96 117.98 117.14 3hox s PHE 3 Ca 0.03 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 3hox s PHE 3 Cb -0.04 -1.89 0.08 0.00 0.51 0.00 0.00 43.02 41.67 3hox s PHE 3 CO 0.02 0.18 0.02 0.42 0.70 0.00 0.00 175.22 176.57 3hox s ILE 4 N -2.66 1.34 0.08 0.64 1.01 -1.26 -0.00 121.20 120.35 3hox s ILE 4 Ca 0.36 -1.39 0.07 0.00 0.00 0.00 0.00 60.65 59.69 3hox s ILE 4 Cb 0.04 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 3hox s ILE 4 CO 0.20 -0.37 -0.13 -0.75 0.00 0.00 0.00 174.94 173.88 3hox s LYS 5 N 1.43 2.09 -0.55 2.79 2.47 -0.70 -4.94 119.74 122.33 3hox s LYS 5 Ca 0.02 -1.01 -0.23 0.00 -1.56 0.00 0.00 55.97 53.19 3hox s LYS 5 Cb -0.18 -2.26 0.04 0.00 -1.46 0.00 0.00 37.83 33.97 3hox s LYS 5 CO -0.12 0.52 0.90 -0.51 0.16 0.00 0.00 175.35 176.30 3hox s ASP 6 N -1.90 6.32 0.29 1.43 1.01 -1.26 -2.38 116.67 120.17 3hox s ASP 6 Ca 0.18 -0.46 0.03 0.00 0.71 0.00 0.00 52.55 53.01 3hox s ASP 6 Cb -0.11 -2.42 0.03 0.00 1.01 0.00 0.00 42.92 41.43 3hox s ASP 6 CO 0.10 -1.19 0.22 0.18 0.21 0.00 0.00 175.17 174.69 3hox n LEU 7 N 7.30 0.00 -3.62 1.23 4.77 -1.00 -5.01 117.00 120.67 3hox n LEU 7 Ca 0.00 -1.52 -0.15 0.00 -0.03 0.00 0.00 56.01 54.31 3hox n LEU 7 Cb 0.47 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 3hox n LEU 7 CO 0.62 -0.43 0.25 -0.55 -1.33 0.00 0.00 177.39 175.95 3hox s SER 8 N -2.72 -0.44 0.02 -1.43 0.15 -1.26 -2.37 113.70 105.64 3hox s SER 8 Ca 0.17 0.37 -0.04 0.00 0.70 0.00 0.00 55.95 57.15 3hox s SER 8 Cb -0.01 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 3hox s SER 8 CO 0.11 -0.58 0.05 -0.22 1.20 0.00 0.00 173.24 173.80 3hox s LEU 9 N -1.42 1.93 -0.22 3.45 2.96 -0.40 -4.99 118.68 120.00 3hox s LEU 9 Ca -0.11 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 3hox s LEU 9 Cb -0.02 0.40 -0.01 0.00 0.50 0.00 0.00 46.19 47.06 3hox s LEU 9 CO 0.05 -0.38 -0.04 0.20 -1.32 0.00 0.00 176.35 174.87 3hox s ASN 10 N -1.63 4.35 -0.09 3.68 0.01 -1.26 -0.48 114.94 119.52 3hox s ASN 10 Ca -0.12 -0.37 0.03 0.00 -0.71 0.00 0.00 52.86 51.69 3hox s ASN 10 Cb -0.07 -1.75 -0.01 0.00 0.41 0.00 0.00 41.25 39.84 3hox s ASN 10 CO -0.01 -0.01 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.75 3hox s ILE 11 N 1.42 2.54 -0.38 0.60 1.01 0.08 -4.96 121.20 121.51 3hox s ILE 11 Ca 0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 3hox s ILE 11 Cb -0.14 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.35 3hox s ILE 11 CO -0.02 0.55 0.22 -0.89 0.00 0.00 0.00 174.94 174.80 3hox s THR 12 N 0.07 4.64 -0.11 2.92 2.01 -1.26 -0.57 115.64 123.34 3hox s THR 12 Ca -0.08 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 60.91 3hox s THR 12 Cb -0.15 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 3hox s THR 12 CO 0.05 -0.26 0.36 -0.22 -0.69 0.00 0.00 174.62 173.86 3hox s LEU 13 N 1.56 4.31 0.86 4.42 0.20 0.41 -4.91 118.68 125.53 3hox s LEU 13 Ca 0.02 0.68 -0.11 0.00 0.69 0.00 0.00 54.13 55.41 3hox s LEU 13 Cb -0.19 -2.48 0.11 0.00 -0.43 0.00 0.00 46.19 43.19 3hox s LEU 13 CO 0.07 0.14 1.09 -2.28 -0.29 0.00 0.00 176.35 175.08 3hox s HIS 14 N 0.08 2.40 0.24 5.38 5.65 -1.26 -1.15 115.29 126.63 3hox s HIS 14 Ca 0.20 1.34 0.03 0.00 0.25 0.00 0.00 55.06 56.88 3hox s HIS 14 Cb -0.14 -3.13 0.26 0.00 -1.18 0.00 0.00 32.58 28.39 3hox s HIS 14 CO 0.08 -2.21 1.58 -1.35 -0.65 0.00 0.00 174.74 172.18 3hox h PRO 15 N -1.42 0.32 -0.99 2.88 0.11 -1.94 -3.22 132.00 127.74 3hox h PRO 15 Ca -0.48 -0.20 0.35 0.00 0.11 0.00 0.00 66.00 65.78 3hox h PRO 15 Cb 1.27 0.02 -0.18 0.00 0.11 0.00 0.00 31.00 32.22 3hox h PRO 15 CO 0.54 0.78 0.34 0.66 -0.21 0.00 0.00 178.00 180.11 3hox h SER 16 N 0.25 0.02 0.00 -2.05 4.64 -1.99 1.48 113.55 115.90 3hox h SER 16 Ca 0.00 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3hox h SER 16 Cb 1.03 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3hox h SER 16 CO 0.09 -0.37 0.00 0.49 -0.87 0.00 0.00 176.83 176.16 3hox n PHE 17 N -5.33 0.00 -0.40 4.77 3.72 -1.22 -4.14 117.46 114.86 3hox n PHE 17 Ca 0.31 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.71 3hox n PHE 17 Cb 1.04 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.57 3hox n PHE 17 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3hox n PHE 18 N -0.54 0.00 -0.01 1.38 3.01 0.51 -4.52 117.46 117.29 3hox n PHE 18 Ca 0.02 -0.78 0.00 0.00 1.01 0.00 0.00 57.45 57.70 3hox n PHE 18 Cb 0.01 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 3hox n PHE 18 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hox n GLY 19 N 1.68 0.92 0.10 1.37 0.00 -1.26 -5.02 105.19 102.99 3hox n GLY 19 Ca 0.02 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 3hox n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hox n PRO 20 N 0.00 0.68 -3.24 1.61 -0.04 -1.26 -4.43 135.00 128.32 3hox n PRO 20 Ca 0.00 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.13 3hox n PRO 20 Cb 0.00 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.90 3hox n PRO 20 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hox n ARG 21 N -2.83 3.45 -0.09 0.54 5.12 -1.26 -4.68 116.66 116.91 3hox n ARG 21 Ca -0.34 -4.61 -0.12 0.00 -1.93 0.00 0.00 57.85 50.84 3hox n ARG 21 Cb 1.13 -2.38 -0.04 0.00 -1.16 0.00 0.00 32.46 30.01 3hox n ARG 21 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 3hox n MET 22 N 1.13 0.52 -0.30 5.56 0.00 -1.26 -3.67 117.12 119.10 3hox n MET 22 Ca 0.28 0.35 0.11 0.00 -0.00 0.00 0.00 57.70 58.44 3hox n MET 22 Cb 0.37 -1.55 0.24 0.00 0.00 0.00 0.00 33.22 32.29 3hox n MET 22 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3hox h LYS 23 N -1.00 0.11 -0.17 2.12 3.64 -1.92 0.95 116.57 120.30 3hox h LYS 23 Ca -0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3hox h LYS 23 Cb 0.96 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3hox h LYS 23 CO -0.08 0.07 0.11 0.37 -2.27 0.00 0.00 179.45 177.65 3hox h GLN 24 N 0.11 0.21 -0.63 1.90 5.75 -1.92 -1.25 115.11 119.29 3hox h GLN 24 Ca 0.52 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 59.08 3hox h GLN 24 Cb 1.02 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.46 3hox h GLN 24 CO -0.74 0.14 0.31 -0.92 -2.65 0.00 0.00 178.83 174.97 3hox h TYR 25 N 0.22 0.56 0.00 3.99 3.20 0.68 -2.34 116.97 123.28 3hox h TYR 25 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3hox h TYR 25 Cb -0.01 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3hox h TYR 25 CO -0.07 0.23 0.00 1.28 -1.64 0.00 0.00 178.16 177.95 3hox n LEU 26 N -4.88 0.00 -0.51 2.82 4.77 0.73 -1.53 117.00 118.41 3hox n LEU 26 Ca 0.08 0.94 0.41 0.00 -0.03 0.00 0.00 56.01 57.41 3hox n LEU 26 Cb 0.21 -0.44 0.67 0.00 -2.33 0.00 0.00 43.42 41.53 3hox n LEU 26 CO 0.26 -0.44 1.20 0.29 -1.33 0.00 0.00 177.39 177.38 3hox n LYS 27 N -2.04 -0.02 0.17 3.23 5.02 -0.55 0.16 118.16 124.13 3hox n LYS 27 Ca 0.00 1.09 -0.13 0.00 -2.02 0.00 0.00 58.31 57.25 3hox n LYS 27 Cb 0.00 -2.27 -0.08 0.00 -0.02 0.00 0.00 35.03 32.66 3hox n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3hox h THR 28 N 0.00 0.63 -0.84 -0.18 2.02 -0.91 -2.50 112.91 111.13 3hox h THR 28 Ca 0.83 -0.59 0.09 0.00 0.77 0.00 0.00 66.41 67.51 3hox h THR 28 Cb 2.90 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 70.14 3hox h THR 28 CO -0.28 0.11 0.50 0.50 0.37 0.00 0.00 175.52 176.71 3hox h LYS 29 N -0.81 0.83 -0.18 6.66 1.63 0.26 0.94 116.57 125.90 3hox h LYS 29 Ca -0.05 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.73 3hox h LYS 29 Cb 0.52 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.92 3hox h LYS 29 CO 0.08 0.55 -0.35 1.25 -3.45 0.00 0.00 179.45 177.52 3hox h LEU 30 N 0.85 -1.15 -1.87 5.20 5.85 -0.65 0.28 115.31 123.82 3hox h LEU 30 Ca 0.39 0.14 0.06 0.00 0.84 0.00 0.00 57.88 59.32 3hox h LEU 30 Cb 0.31 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3hox h LEU 30 CO -0.23 -0.28 0.22 -0.07 -0.34 0.00 0.00 178.44 177.74 3hox h LEU 31 N -0.31 0.15 -0.11 2.25 3.38 -0.95 0.37 115.31 120.09 3hox h LEU 31 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3hox h LEU 31 Cb 0.40 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hox h LEU 31 CO -0.34 0.10 0.02 -0.33 0.09 0.00 0.00 178.44 177.98 3hox h GLU 32 N 0.17 0.18 0.24 1.13 5.08 0.18 -2.89 114.58 118.67 3hox h GLU 32 Ca 0.14 -0.05 -0.33 0.00 -1.00 0.00 0.00 59.36 58.13 3hox h GLU 32 Cb 0.36 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.62 3hox h GLU 32 CO -0.02 0.38 -1.46 0.93 -1.00 0.00 0.00 179.01 177.83 3hox h GLU 33 N -0.04 0.51 0.00 2.33 5.08 0.10 -3.42 114.58 119.14 3hox h GLU 33 Ca 0.03 -0.87 0.00 0.00 -1.00 0.00 0.00 59.36 57.53 3hox h GLU 33 Cb 0.28 0.32 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hox h GLU 33 CO 0.00 1.42 0.00 0.28 -1.00 0.00 0.00 179.01 179.71 3hox n VAL 34 N -3.74 0.00 -1.31 3.13 0.31 0.12 -4.57 118.33 112.27 3hox n VAL 34 Ca -0.18 0.44 -0.52 0.00 -0.01 0.00 0.00 64.34 64.08 3hox n VAL 34 Cb 1.08 -1.04 -0.07 0.00 -0.91 0.00 0.00 33.84 32.90 3hox n VAL 34 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hox n GLU 35 N -1.25 0.00 -0.92 5.55 1.02 -1.09 0.59 120.64 124.55 3hox n GLU 35 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hox n GLU 35 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3hox n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hox n GLY 36 N 1.33 0.78 2.32 0.62 0.00 -0.26 -4.86 105.19 105.12 3hox n GLY 36 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 3hox n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hox n SER 37 N 0.00 -0.74 -3.64 1.61 3.41 0.20 -4.89 113.62 109.57 3hox n SER 37 Ca 0.00 -1.13 -0.06 0.00 -0.26 0.00 0.00 58.87 57.43 3hox n SER 37 Cb 0.00 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.25 3hox n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hox s THR 39 N 0.82 0.15 -0.38 0.00 -4.23 -1.07 -4.73 115.64 106.21 3hox s THR 39 Ca -0.03 -1.69 0.23 0.00 -1.18 0.00 0.00 61.69 59.02 3hox s THR 39 Cb -0.04 -1.70 0.23 0.00 1.34 0.00 0.00 72.50 72.33 3hox s THR 39 CO -0.11 -0.69 1.42 1.23 -0.54 0.00 0.00 174.62 175.94 3hox h GLY 40 N 2.92 0.00 0.63 3.99 0.00 -1.89 -0.36 103.07 108.36 3hox h GLY 40 Ca -0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3hox h GLY 40 CO 0.60 0.00 -0.27 1.70 0.00 0.00 0.00 176.54 178.57 3hox h LYS 41 N 0.00 -0.74 -0.04 4.80 3.64 -2.02 -3.35 116.57 118.86 3hox h LYS 41 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hox h LYS 41 Cb 1.00 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3hox h LYS 41 CO 0.00 -0.45 0.00 1.19 -2.27 0.00 0.00 179.45 177.92 3hox n PHE 42 N -5.29 0.04 -4.52 1.91 3.01 -1.26 -5.09 117.46 106.26 3hox n PHE 42 Ca -0.10 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.32 3hox n PHE 42 Cb 0.32 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 3hox n PHE 42 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hox n GLY 43 N 0.64 0.06 3.68 1.37 0.00 -0.14 -4.33 105.19 106.47 3hox n GLY 43 Ca 0.07 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 3hox n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hox s TYR 44 N 0.00 2.30 -0.40 1.61 1.51 -1.06 -2.58 117.35 118.72 3hox s TYR 44 Ca 0.00 0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 56.20 3hox s TYR 44 Cb 0.00 -3.93 0.01 0.00 -0.11 0.00 0.00 41.96 37.94 3hox s TYR 44 CO 0.00 -3.77 0.40 0.42 -1.11 0.00 0.00 175.55 171.49 3hox s ILE 45 N 3.08 5.13 -0.20 2.71 -1.09 -1.15 -0.84 121.20 128.83 3hox s ILE 45 Ca 0.73 -0.32 -0.16 0.00 -2.23 0.00 0.00 60.65 58.67 3hox s ILE 45 Cb -0.37 -3.98 -0.10 0.00 -1.58 0.00 0.00 42.46 36.43 3hox s ILE 45 CO 0.31 -0.34 -0.18 0.18 -1.23 0.00 0.00 174.94 173.68 3hox n LEU 46 N 5.49 1.89 -3.78 2.97 4.77 0.05 -1.10 117.00 127.30 3hox n LEU 46 Ca -0.08 0.43 -0.15 0.00 -0.03 0.00 0.00 56.01 56.18 3hox n LEU 46 Cb 0.48 -0.85 -0.16 0.00 -2.33 0.00 0.00 43.42 40.56 3hox n LEU 46 CO 0.44 0.02 -0.35 0.00 -1.33 0.00 0.00 177.39 176.17 3hox s VAL 48 N 1.00 4.97 0.31 0.00 1.01 -1.26 -1.12 120.40 125.31 3hox s VAL 48 Ca -0.08 1.69 0.06 0.00 0.00 0.00 0.00 61.98 63.65 3hox s VAL 48 Cb -0.12 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3hox s VAL 48 CO -0.03 0.20 0.42 -0.76 0.00 0.00 0.00 175.10 174.93 3hox s LEU 49 N 0.98 4.04 -1.45 3.92 1.43 -0.38 -4.58 118.68 122.64 3hox s LEU 49 Ca 0.43 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 3hox s LEU 49 Cb -0.19 -2.74 0.03 0.00 0.03 0.00 0.00 46.19 43.33 3hox s LEU 49 CO 0.21 -0.32 0.91 -0.67 0.23 0.00 0.00 176.35 176.72 3hox n ASP 50 N -1.55 -5.71 -0.16 2.29 2.03 -1.26 -4.60 116.55 107.58 3hox n ASP 50 Ca -0.03 -0.51 -0.00 0.00 0.52 0.00 0.00 54.79 54.77 3hox n ASP 50 Cb 0.58 -4.56 0.02 0.00 -0.72 0.00 0.00 41.12 36.44 3hox n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hox n TYR 51 N -4.70 0.02 0.32 -0.67 -0.00 -1.26 0.27 117.16 111.14 3hox n TYR 51 Ca -0.02 0.52 0.19 0.00 -0.00 0.00 0.00 57.90 58.59 3hox n TYR 51 Cb 0.57 -0.66 1.02 0.00 -0.00 0.00 0.00 39.34 40.27 3hox n TYR 51 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 3hox h ASP 52 N 0.00 0.00 -0.16 2.98 3.32 -2.00 -2.74 116.42 117.83 3hox h ASP 52 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hox h ASP 52 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hox h ASP 52 CO -0.42 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.69 3hox n ASN 53 N -3.09 3.27 -4.68 6.45 5.03 0.14 -5.01 115.26 117.37 3hox n ASN 53 Ca -0.02 -3.05 -0.46 0.00 0.87 0.00 0.00 54.58 51.92 3hox n ASN 53 Cb 0.22 -0.50 -0.04 0.00 -1.02 0.00 0.00 39.78 38.44 3hox n ASN 53 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3hox n ILE 54 N -0.88 0.44 -2.52 2.41 5.41 -1.04 -4.89 119.36 118.29 3hox n ILE 54 Ca 0.19 -0.08 -0.43 0.00 1.00 0.00 0.00 62.75 63.43 3hox n ILE 54 Cb 0.79 -1.88 -0.02 0.00 -0.71 0.00 0.00 39.64 37.82 3hox n ILE 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hox s ASP 55 N 3.19 6.98 -0.22 4.38 -1.08 -0.88 -4.93 116.67 124.11 3hox s ASP 55 Ca 0.88 1.52 0.02 0.00 -0.52 0.00 0.00 52.55 54.45 3hox s ASP 55 Cb -0.63 -2.54 -0.20 0.00 -1.46 0.00 0.00 42.92 38.09 3hox s ASP 55 CO 0.45 -0.76 -0.05 0.00 0.52 0.00 0.00 175.17 175.34 3hox n ILE 56 N 5.43 1.54 -1.11 4.11 3.06 -1.26 -0.90 119.36 130.23 3hox n ILE 56 Ca 0.13 -0.63 0.14 0.00 -2.50 0.00 0.00 62.75 59.89 3hox n ILE 56 Cb 0.45 -1.36 -0.07 0.00 0.54 0.00 0.00 39.64 39.20 3hox n ILE 56 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hox n GLN 57 N -3.24 -2.54 -2.27 9.51 6.02 -1.26 -3.97 117.38 119.63 3hox n GLN 57 Ca -0.41 2.03 -0.43 0.00 -0.01 0.00 0.00 57.00 58.19 3hox n GLN 57 Cb 1.02 -2.98 -0.02 0.00 1.02 0.00 0.00 30.24 29.28 3hox n GLN 57 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hox s ARG 58 N -3.72 3.90 0.41 -1.09 0.52 -1.26 -4.81 118.95 112.90 3hox s ARG 58 Ca 0.00 1.49 -0.22 0.00 -0.52 0.00 0.00 55.73 56.48 3hox s ARG 58 Cb 0.00 -3.94 -0.10 0.00 0.52 0.00 0.00 34.95 31.43 3hox s ARG 58 CO 0.00 -1.15 0.97 0.20 0.02 0.00 0.00 175.30 175.33 3hox s GLY 59 N 3.37 2.53 0.06 -3.53 0.00 -1.26 -4.84 107.32 103.65 3hox s GLY 59 Ca 0.63 0.48 0.02 0.00 0.00 0.00 0.00 44.72 45.85 3hox s GLY 59 CO 0.25 0.81 0.11 1.09 0.00 0.00 0.00 173.10 175.37 3hox s ARG 60 N -2.86 3.06 -0.25 2.90 1.70 -0.53 -4.78 118.95 118.19 3hox s ARG 60 Ca 0.59 -0.59 -0.27 0.00 -0.47 0.00 0.00 55.73 55.00 3hox s ARG 60 Cb -0.13 -2.83 0.00 0.00 -0.57 0.00 0.00 34.95 31.42 3hox s ARG 60 CO 0.18 0.59 0.93 0.42 -1.08 0.00 0.00 175.30 176.34 3hox s ILE 61 N -1.38 4.74 0.98 4.99 1.01 -1.26 0.15 121.20 130.43 3hox s ILE 61 Ca 0.29 1.72 -0.13 0.00 0.00 0.00 0.00 60.65 62.53 3hox s ILE 61 Cb -0.12 -4.22 0.06 0.00 0.01 0.00 0.00 42.46 38.18 3hox s ILE 61 CO 0.22 -0.17 0.40 -0.11 0.00 0.00 0.00 174.94 175.27 3hox n LEU 62 N 6.24 -0.36 -0.23 2.97 -0.00 0.31 -4.94 117.00 120.99 3hox n LEU 62 Ca 0.08 0.26 0.02 0.00 -0.00 0.00 0.00 56.01 56.37 3hox n LEU 62 Cb 0.47 -1.19 0.05 0.00 -0.00 0.00 0.00 43.42 42.75 3hox n LEU 62 CO 0.51 -3.46 0.49 -0.81 -0.00 0.00 0.00 177.39 174.11 3hox n PRO 63 N -1.97 2.05 -0.11 1.96 -0.04 -1.26 -4.64 135.00 130.99 3hox n PRO 63 Ca 0.06 -1.46 -0.22 0.00 -0.04 0.00 0.00 63.50 61.84 3hox n PRO 63 Cb 0.55 -1.10 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 3hox n PRO 63 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3hox n THR 64 N -0.00 1.53 -3.25 0.52 5.66 -1.26 -4.94 114.28 112.53 3hox n THR 64 Ca 0.04 -0.08 -0.12 0.00 -3.05 0.00 0.00 64.05 60.84 3hox n THR 64 Cb 0.26 -2.04 0.02 0.00 -1.55 0.00 0.00 70.33 67.03 3hox n THR 64 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3hox n ASP 65 N -4.41 1.40 -0.65 1.09 5.75 -1.26 -5.06 116.55 113.40 3hox n ASP 65 Ca -0.35 -1.88 0.12 0.00 -0.01 0.00 0.00 54.79 52.66 3hox n ASP 65 Cb 0.70 -0.16 0.06 0.00 -1.03 0.00 0.00 41.12 40.69 3hox n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hox n GLY 66 N 1.32 0.35 3.42 6.12 0.00 -1.26 -4.60 105.19 110.53 3hox n GLY 66 Ca 0.05 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 3hox n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hox n SER 67 N 0.44 -1.72 -4.39 1.61 7.64 -1.26 -4.53 113.62 111.41 3hox n SER 67 Ca 0.11 0.56 -0.30 0.00 1.01 0.00 0.00 58.87 60.26 3hox n SER 67 Cb 0.51 -1.16 -0.14 0.00 -1.01 0.00 0.00 64.21 62.42 3hox n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox s ALA 68 N -1.94 2.40 -0.17 -0.43 0.00 -0.30 -0.53 121.76 120.79 3hox s ALA 68 Ca 0.63 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 3hox s ALA 68 Cb -0.35 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 3hox s ALA 68 CO 0.60 0.55 -0.11 -2.00 0.00 0.00 0.00 175.76 174.81 3hox s GLU 69 N -1.57 3.33 -0.02 0.00 2.12 0.12 -0.45 118.70 122.23 3hox s GLU 69 Ca 0.13 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.81 3hox s GLU 69 Cb -0.10 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 3hox s GLU 69 CO 0.04 -0.00 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.61 3hox s PHE 70 N 0.91 2.83 -0.48 5.30 0.40 0.27 -1.45 117.98 125.76 3hox s PHE 70 Ca -0.02 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 3hox s PHE 70 Cb -0.15 -1.62 0.11 0.00 0.51 0.00 0.00 43.02 41.87 3hox s PHE 70 CO -0.00 0.31 0.37 1.21 0.70 0.00 0.00 175.22 177.81 3hox s ASN 71 N -1.14 5.86 -0.42 1.36 2.47 -1.25 -0.74 114.94 121.07 3hox s ASN 71 Ca 0.15 -1.72 -0.24 0.00 0.42 0.00 0.00 52.86 51.47 3hox s ASN 71 Cb -0.11 -2.07 0.02 0.00 -1.45 0.00 0.00 41.25 37.64 3hox s ASN 71 CO 0.04 -0.69 0.83 -0.69 -3.72 0.00 0.00 177.10 172.88 3hox s VAL 72 N 1.47 4.62 -0.26 -5.21 1.01 0.37 -4.53 120.40 117.88 3hox s VAL 72 Ca 0.04 0.71 -0.22 0.00 0.00 0.00 0.00 61.98 62.51 3hox s VAL 72 Cb -0.26 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 3hox s VAL 72 CO 0.02 -0.65 0.70 -0.54 0.00 0.00 0.00 175.10 174.62 3hox s LYS 73 N 3.38 4.11 0.15 2.72 1.02 -0.08 -1.27 119.74 129.77 3hox s LYS 73 Ca 0.33 0.66 0.02 0.00 0.02 0.00 0.00 55.97 57.00 3hox s LYS 73 Cb -0.12 -3.66 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 3hox s LYS 73 CO 0.22 -0.47 0.07 2.48 -0.92 0.00 0.00 175.35 176.73 3hox n TYR 74 N 5.84 -0.04 -3.83 3.18 -0.00 -1.00 -2.07 117.16 119.24 3hox n TYR 74 Ca 0.02 -1.02 -0.12 0.00 -0.00 0.00 0.00 57.90 56.78 3hox n TYR 74 Cb 0.48 0.03 -0.09 0.00 -0.00 0.00 0.00 39.34 39.76 3hox n TYR 74 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 3hox s ARG 75 N -2.58 0.57 0.23 -3.48 3.52 -1.26 -2.38 118.95 113.57 3hox s ARG 75 Ca 0.10 -0.36 -0.22 0.00 -0.13 0.00 0.00 55.73 55.12 3hox s ARG 75 Cb 0.00 0.24 0.06 0.00 -1.56 0.00 0.00 34.95 33.70 3hox s ARG 75 CO 0.07 -0.15 0.92 0.00 -0.81 0.00 0.00 175.30 175.33 3hox s ALA 76 N -1.50 -1.39 -0.23 6.12 0.00 -1.00 -1.25 121.76 122.50 3hox s ALA 76 Ca -0.13 -0.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 3hox s ALA 76 Cb -0.06 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 3hox s ALA 76 CO 0.02 -1.04 0.26 0.08 0.00 0.00 0.00 175.76 175.08 3hox s VAL 77 N -2.83 5.29 0.32 0.00 1.01 -0.27 -1.72 120.40 122.19 3hox s VAL 77 Ca 0.16 0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.58 3hox s VAL 77 Cb -0.03 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 3hox s VAL 77 CO 0.06 0.31 0.01 0.68 0.00 0.00 0.00 175.10 176.16 3hox s VAL 78 N 1.17 1.41 -0.26 2.92 -7.23 1.00 -0.77 120.40 118.64 3hox s VAL 78 Ca 0.12 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 3hox s VAL 78 Cb -0.14 -2.69 0.11 0.00 0.56 0.00 0.00 36.38 34.21 3hox s VAL 78 CO 0.06 -0.11 0.19 0.12 -0.31 0.00 0.00 175.10 175.05 3hox s PHE 79 N -3.15 -0.05 -0.35 2.82 5.36 -0.02 0.03 117.98 122.62 3hox s PHE 79 Ca 0.34 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.88 3hox s PHE 79 Cb 0.07 -0.64 0.06 0.00 -0.34 0.00 0.00 43.02 42.18 3hox s PHE 79 CO 0.14 -0.78 0.10 0.21 -1.46 0.00 0.00 175.22 173.43 3hox s LYS 80 N 2.23 2.39 0.94 10.12 2.20 -1.26 -2.56 119.74 133.80 3hox s LYS 80 Ca 0.08 -1.40 -0.12 0.00 -0.36 0.00 0.00 55.97 54.17 3hox s LYS 80 Cb -0.15 -3.41 0.15 0.00 -1.51 0.00 0.00 37.83 32.91 3hox s LYS 80 CO -0.28 -0.77 1.09 -1.25 -0.36 0.00 0.00 175.35 173.78 3hox s PRO 81 N 1.28 0.89 0.24 4.03 0.04 -1.26 -4.90 135.00 135.32 3hox s PRO 81 Ca -0.00 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 3hox s PRO 81 Cb -0.21 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 3hox s PRO 81 CO -0.01 -2.52 0.22 -0.06 0.04 0.00 0.00 177.00 174.67 3hox s PHE 82 N -2.83 1.22 0.10 0.56 0.40 -1.26 -5.03 117.98 111.14 3hox s PHE 82 Ca 0.65 -1.38 -0.26 0.00 -0.60 0.00 0.00 56.93 55.34 3hox s PHE 82 Cb -0.20 -0.50 -0.06 0.00 0.51 0.00 0.00 43.02 42.77 3hox s PHE 82 CO 0.58 -0.76 0.81 0.21 0.70 0.00 0.00 175.22 176.76 3hox s LYS 83 N -3.92 4.57 -0.29 0.44 2.20 -1.26 -3.43 119.74 118.05 3hox s LYS 83 Ca 0.37 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 3hox s LYS 83 Cb 0.05 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 3hox s LYS 83 CO 0.16 0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.93 3hox n GLY 84 N 2.07 0.51 3.64 5.54 0.00 0.52 -5.00 105.19 112.47 3hox n GLY 84 Ca -0.03 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 3hox n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hox s GLU 85 N -2.74 4.02 -0.17 1.61 2.12 -1.22 -4.84 118.70 117.48 3hox s GLU 85 Ca 0.00 -0.31 -0.20 0.00 0.36 0.00 0.00 54.97 54.82 3hox s GLU 85 Cb 0.00 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3hox s GLU 85 CO 0.00 0.14 0.58 0.08 -0.54 0.00 0.00 175.26 175.53 3hox s VAL 86 N 0.78 5.07 -0.01 3.70 1.01 -1.26 -0.75 120.40 128.94 3hox s VAL 86 Ca 0.06 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 63.05 3hox s VAL 86 Cb -0.13 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3hox s VAL 86 CO 0.02 0.18 0.21 0.68 0.00 0.00 0.00 175.10 176.20 3hox s VAL 87 N 1.49 0.07 -0.01 2.92 -7.23 0.19 -4.99 120.40 112.84 3hox s VAL 87 Ca 0.28 -0.58 0.06 0.00 -1.81 0.00 0.00 61.98 59.93 3hox s VAL 87 Cb -0.16 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 3hox s VAL 87 CO 0.11 -0.32 -0.18 1.51 -0.31 0.00 0.00 175.10 175.91 3hox s ASP 88 N -1.32 2.12 0.00 4.85 3.84 -1.26 0.16 116.67 125.07 3hox s ASP 88 Ca -0.14 -0.33 0.00 0.00 -0.00 0.00 0.00 52.55 52.08 3hox s ASP 88 Cb -0.06 -0.23 0.00 0.00 -1.38 0.00 0.00 42.92 41.24 3hox s ASP 88 CO 0.03 0.22 0.00 0.61 -0.00 0.00 0.00 175.17 176.03 3hox n GLY 89 N 2.61 3.21 3.87 2.12 0.00 -0.31 -4.85 105.19 111.83 3hox n GLY 89 Ca -0.15 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 3hox n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hox s THR 90 N -2.40 5.20 0.75 2.61 2.01 -1.23 -1.05 115.64 121.53 3hox s THR 90 Ca 0.00 0.32 -0.13 0.00 0.31 0.00 0.00 61.69 62.19 3hox s THR 90 Cb 0.00 -3.61 0.05 0.00 0.01 0.00 0.00 72.50 68.95 3hox s THR 90 CO 0.00 0.34 1.13 -0.69 -0.69 0.00 0.00 174.62 174.72 3hox s VAL 91 N -1.33 2.83 0.00 3.82 1.01 -0.84 0.71 120.40 126.60 3hox s VAL 91 Ca 0.30 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3hox s VAL 91 Cb -0.14 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3hox s VAL 91 CO 0.17 -0.29 0.00 0.52 0.00 0.00 0.00 175.10 175.50 3hox n VAL 92 N -3.11 0.00 -2.58 2.92 0.31 0.89 -4.60 118.33 112.17 3hox n VAL 92 Ca 0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.18 3hox n VAL 92 Cb 0.52 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.47 3hox n VAL 92 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hox s SER 93 N 1.00 5.70 -0.30 4.52 1.04 -1.17 -4.62 113.70 119.88 3hox s SER 93 Ca 0.00 0.60 -0.11 0.00 0.48 0.00 0.00 55.95 56.92 3hox s SER 93 Cb 0.00 -1.69 0.13 0.00 0.10 0.00 0.00 66.02 64.56 3hox s SER 93 CO 0.00 -0.93 0.69 0.00 0.98 0.00 0.00 173.24 173.98 3hox s SER 95 N 2.75 1.31 0.59 0.00 1.04 0.20 -4.83 113.70 114.76 3hox s SER 95 Ca -0.06 -1.65 0.30 0.00 0.48 0.00 0.00 55.95 55.02 3hox s SER 95 Cb -0.11 0.56 1.33 0.00 0.10 0.00 0.00 66.02 67.90 3hox s SER 95 CO -0.19 -1.09 1.70 0.06 0.98 0.00 0.00 173.24 174.70 3hox h GLN 96 N 2.19 0.00 0.00 4.02 3.07 -1.98 0.17 115.11 122.58 3hox h GLN 96 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.47 3hox h GLN 96 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 3hox h GLN 96 CO 0.39 0.00 -0.93 0.72 0.09 0.00 0.00 178.83 179.10 3hox n HIS 97 N -3.61 0.82 -2.59 0.06 8.25 -1.26 -4.81 115.22 112.08 3hox n HIS 97 Ca 0.15 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 3hox n HIS 97 Cb 1.02 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3hox n HIS 97 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hox n GLY 98 N 1.23 -0.25 3.06 -1.41 0.00 0.60 0.12 105.19 108.55 3hox n GLY 98 Ca 0.01 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 3hox n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hox s PHE 99 N -2.83 0.68 -0.26 1.61 -0.12 -0.89 0.60 117.98 116.76 3hox s PHE 99 Ca 0.00 -0.51 -0.03 0.00 -0.05 0.00 0.00 56.93 56.34 3hox s PHE 99 Cb 0.00 -0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.00 3hox s PHE 99 CO 0.00 -0.08 -0.03 -2.00 -0.05 0.00 0.00 175.22 173.06 3hox s GLU 100 N -1.61 2.94 0.43 1.99 2.12 -0.52 -0.85 118.70 123.19 3hox s GLU 100 Ca -0.10 -0.92 -0.08 0.00 0.36 0.00 0.00 54.97 54.24 3hox s GLU 100 Cb -0.10 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 3hox s GLU 100 CO 0.00 -0.39 0.76 0.08 -0.54 0.00 0.00 175.26 175.17 3hox s VAL 101 N 1.38 4.86 -0.33 3.70 1.01 0.11 -0.07 120.40 131.06 3hox s VAL 101 Ca 0.01 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.40 3hox s VAL 101 Cb -0.17 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.52 3hox s VAL 101 CO -0.03 -0.65 0.05 -1.58 0.00 0.00 0.00 175.10 172.89 3hox s GLN 102 N -4.22 1.29 -0.55 2.72 0.74 0.22 -0.76 119.66 119.09 3hox s GLN 102 Ca 0.49 -1.61 -0.19 0.00 0.05 0.00 0.00 55.36 54.10 3hox s GLN 102 Cb -0.10 -2.84 0.09 0.00 1.10 0.00 0.00 33.01 31.26 3hox s GLN 102 CO 0.37 -0.93 0.64 0.08 -0.55 0.00 0.00 175.29 174.91 3hox s VAL 103 N 1.12 4.89 0.00 1.34 1.01 -0.58 -3.47 120.40 124.71 3hox s VAL 103 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3hox s VAL 103 Cb -0.19 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.80 3hox s VAL 103 CO -0.13 -0.98 0.00 0.61 0.00 0.00 0.00 175.10 174.61 3hox n GLY 104 N 5.24 1.76 0.24 4.51 0.00 -1.26 -2.49 105.19 113.20 3hox n GLY 104 Ca -0.09 -0.59 0.17 0.00 0.00 0.00 0.00 46.02 45.50 3hox n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hox h PRO 105 N 0.00 0.00 -6.15 1.61 0.13 -1.99 -3.43 132.00 122.17 3hox h PRO 105 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 3hox h PRO 105 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 3hox h PRO 105 CO 0.00 0.00 -0.46 1.41 -0.23 0.00 0.00 178.00 178.72 3hox s MET 106 N -3.78 2.56 -0.09 0.86 -2.45 -1.04 -4.99 119.30 110.38 3hox s MET 106 Ca -0.02 -1.44 0.04 0.00 -1.25 0.00 0.00 55.69 53.01 3hox s MET 106 Cb 0.10 -2.35 0.00 0.00 1.25 0.00 0.00 34.83 33.83 3hox s MET 106 CO 0.35 0.03 -0.20 0.15 1.05 0.00 0.00 175.02 176.39 3hox s LYS 107 N -3.98 2.59 -0.12 4.11 1.02 -1.26 -1.53 119.74 120.57 3hox s LYS 107 Ca 0.42 -0.74 -0.01 0.00 0.02 0.00 0.00 55.97 55.65 3hox s LYS 107 Cb -0.04 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 3hox s LYS 107 CO 0.26 0.15 -0.07 0.08 -0.92 0.00 0.00 175.35 174.84 3hox s VAL 108 N 0.39 3.60 -0.13 3.17 1.01 0.06 -3.41 120.40 125.08 3hox s VAL 108 Ca -0.16 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 3hox s VAL 108 Cb -0.17 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3hox s VAL 108 CO 0.07 0.53 0.07 0.12 0.00 0.00 0.00 175.10 175.89 3hox s PHE 109 N 0.03 3.34 -0.37 5.22 5.36 0.82 -0.71 117.98 131.67 3hox s PHE 109 Ca -0.01 0.26 -0.05 0.00 -0.96 0.00 0.00 56.93 56.16 3hox s PHE 109 Cb -0.14 -1.95 0.07 0.00 -0.34 0.00 0.00 43.02 40.66 3hox s PHE 109 CO 0.03 0.44 0.15 0.08 -1.46 0.00 0.00 175.22 174.46 3hox s VAL 110 N -0.45 3.62 0.30 3.12 1.01 -0.03 -1.00 120.40 126.97 3hox s VAL 110 Ca 0.10 -1.49 -0.29 0.00 0.00 0.00 0.00 61.98 60.29 3hox s VAL 110 Cb -0.12 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 3hox s VAL 110 CO 0.02 -0.39 1.39 0.28 0.00 0.00 0.00 175.10 176.40 3hox s THR 111 N 1.31 2.59 0.21 3.92 -1.32 -1.26 -2.11 115.64 118.98 3hox s THR 111 Ca 0.01 0.54 -0.06 0.00 -1.21 0.00 0.00 61.69 60.97 3hox s THR 111 Cb -0.21 -3.35 0.34 0.00 -1.51 0.00 0.00 72.50 67.77 3hox s THR 111 CO 0.00 0.11 1.18 1.17 -2.21 0.00 0.00 174.62 174.87 3hox n LYS 112 N 1.43 -0.07 0.00 7.08 3.00 0.31 0.13 118.16 130.04 3hox n LYS 112 Ca 0.03 1.18 0.09 0.00 -0.00 0.00 0.00 58.31 59.62 3hox n LYS 112 Cb 0.41 -1.77 0.55 0.00 0.00 0.00 0.00 35.03 34.22 3hox n LYS 112 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3hox n HIS 113 N -5.23 0.00 -0.86 5.64 8.25 -1.26 -2.91 115.22 118.85 3hox n HIS 113 Ca 0.12 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.66 3hox n HIS 113 Cb 0.38 0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.79 3hox n HIS 113 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hox n LEU 114 N -0.89 4.45 0.00 2.41 4.32 0.35 -4.93 117.00 122.70 3hox n LEU 114 Ca 0.14 -2.85 -0.17 0.00 -0.02 0.00 0.00 56.01 53.11 3hox n LEU 114 Cb 0.06 -0.56 -0.00 0.00 -1.62 0.00 0.00 43.42 41.30 3hox n LEU 114 CO 0.10 0.68 0.03 0.23 -1.22 0.00 0.00 177.39 177.22 3hox n MET 115 N 0.08 1.00 -2.02 3.23 2.81 -1.14 -1.91 117.12 119.17 3hox n MET 115 Ca 0.23 -2.16 -0.29 0.00 -1.81 0.00 0.00 57.70 53.67 3hox n MET 115 Cb 0.95 0.26 0.04 0.00 -0.71 0.00 0.00 33.22 33.75 3hox n MET 115 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3hox s PRO 116 N -3.39 2.84 0.03 0.03 0.04 -1.26 -4.69 135.00 128.60 3hox s PRO 116 Ca 0.18 0.33 -0.18 0.00 0.04 0.00 0.00 61.00 61.37 3hox s PRO 116 Cb -0.01 -2.08 -0.22 0.00 0.04 0.00 0.00 34.50 32.22 3hox s PRO 116 CO 0.12 -0.97 1.14 1.96 0.04 0.00 0.00 177.00 179.28 3hox h GLN 117 N -0.55 0.49 -0.06 4.56 7.50 -1.97 -3.20 115.11 121.89 3hox h GLN 117 Ca -0.45 -0.50 0.02 0.00 0.50 0.00 0.00 58.65 58.21 3hox h GLN 117 Cb 1.26 0.14 -0.00 0.00 0.05 0.00 0.00 27.48 28.92 3hox h GLN 117 CO 0.63 1.14 0.23 0.38 -1.50 0.00 0.00 178.83 179.71 3hox h ASP 118 N 0.04 0.00 -3.16 1.46 -0.00 -1.95 -3.37 116.42 109.45 3hox h ASP 118 Ca -0.08 0.00 -0.58 0.00 -0.00 0.00 0.00 57.03 56.37 3hox h ASP 118 Cb 1.36 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 40.63 3hox h ASP 118 CO 0.13 0.00 0.72 -0.22 -0.00 0.00 0.00 179.24 179.88 3hox s LEU 119 N -6.30 4.08 0.36 0.15 2.96 -1.21 -4.37 118.68 114.35 3hox s LEU 119 Ca -0.04 1.25 0.08 0.00 -0.22 0.00 0.00 54.13 55.21 3hox s LEU 119 Cb 0.11 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 3hox s LEU 119 CO 0.38 -0.65 0.08 0.42 -1.32 0.00 0.00 176.35 175.26 3hox s THR 120 N 3.16 2.60 -0.18 3.68 -4.23 0.63 -4.83 115.64 116.47 3hox s THR 120 Ca 0.42 -1.84 -0.17 0.00 -1.18 0.00 0.00 61.69 58.92 3hox s THR 120 Cb -0.15 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 3hox s THR 120 CO 0.07 -0.14 0.44 0.12 -0.54 0.00 0.00 174.62 174.57 3hox s PHE 121 N -2.53 3.41 -0.72 3.99 5.36 -1.26 -0.76 117.98 125.47 3hox s PHE 121 Ca 0.37 0.71 -0.17 0.00 -0.96 0.00 0.00 56.93 56.88 3hox s PHE 121 Cb 0.01 -2.55 0.15 0.00 -0.34 0.00 0.00 43.02 40.29 3hox s PHE 121 CO 0.21 0.02 0.75 1.21 -1.46 0.00 0.00 175.22 175.95 3hox s ASN 122 N 0.95 6.46 0.00 6.13 3.84 -0.03 -4.91 114.94 127.37 3hox s ASN 122 Ca 0.21 -2.05 -0.19 0.00 0.21 0.00 0.00 52.86 51.04 3hox s ASN 122 Cb -0.15 -2.26 -0.11 0.00 -0.55 0.00 0.00 41.25 38.18 3hox s ASN 122 CO 0.09 -0.86 0.92 0.00 -2.79 0.00 0.00 177.10 174.45 3hox h ALA 123 N 8.57 -0.82 0.00 1.71 0.00 -1.96 -3.17 119.26 123.60 3hox h ALA 123 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hox h ALA 123 Cb 1.06 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3hox h ALA 123 CO 0.97 -0.77 0.00 0.41 0.00 0.00 0.00 179.25 179.86 3hox n GLY 124 N -0.30 0.00 3.91 0.00 0.00 -1.26 -4.71 105.19 102.82 3hox n GLY 124 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3hox n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hox s SER 125 N -1.76 4.27 -0.30 1.61 1.04 -1.20 -5.05 113.70 112.31 3hox s SER 125 Ca 0.00 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.07 3hox s SER 125 Cb 0.00 -1.09 0.19 0.00 0.10 0.00 0.00 66.02 65.22 3hox s SER 125 CO 0.00 -2.05 0.77 0.21 0.98 0.00 0.00 173.24 173.15 3hox s ASN 126 N -4.63 -1.08 0.61 7.02 3.04 -1.26 -3.82 114.94 114.81 3hox s ASN 126 Ca 0.64 0.50 -0.17 0.00 0.04 0.00 0.00 52.86 53.86 3hox s ASN 126 Cb -0.10 1.84 -0.03 0.00 -1.54 0.00 0.00 41.25 41.43 3hox s ASN 126 CO 0.50 -0.20 1.15 -2.16 -3.04 0.00 0.00 177.10 173.34 3hox s PRO 127 N 2.89 2.97 0.20 0.43 0.04 -1.26 -5.08 135.00 135.19 3hox s PRO 127 Ca 0.14 1.60 -0.32 0.00 0.04 0.00 0.00 61.00 62.46 3hox s PRO 127 Cb -0.11 -1.95 -0.15 0.00 0.04 0.00 0.00 34.50 32.32 3hox s PRO 127 CO -0.19 -1.15 1.12 -2.30 0.04 0.00 0.00 177.00 174.52 3hox n PRO 128 N -1.86 1.22 -3.35 0.56 -0.02 -1.25 -4.83 135.00 125.47 3hox n PRO 128 Ca 0.12 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.90 3hox n PRO 128 Cb 0.51 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 3hox n PRO 128 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hox n SER 129 N 1.85 0.26 -3.83 2.55 3.41 -1.20 -4.09 113.62 112.55 3hox n SER 129 Ca 0.14 -2.27 -0.25 0.00 -0.26 0.00 0.00 58.87 56.22 3hox n SER 129 Cb 0.27 0.81 -0.17 0.00 -0.26 0.00 0.00 64.21 64.85 3hox n SER 129 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3hox s TYR 130 N -2.64 1.11 -0.16 7.33 1.51 0.88 -0.85 117.35 124.53 3hox s TYR 130 Ca 0.18 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 3hox s TYR 130 Cb 0.01 -1.03 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 3hox s TYR 130 CO 0.13 -0.44 0.02 -0.65 -1.11 0.00 0.00 175.55 173.50 3hox s GLN 131 N 1.83 3.76 0.43 -0.62 -0.21 0.06 -0.32 119.66 124.60 3hox s GLN 131 Ca 0.04 -0.40 0.05 0.00 0.02 0.00 0.00 55.36 55.07 3hox s GLN 131 Cb -0.13 -3.07 -0.06 0.00 1.00 0.00 0.00 33.01 30.75 3hox s GLN 131 CO -0.07 0.32 0.01 0.45 -2.12 0.00 0.00 175.29 173.89 3hox s SER 132 N 0.19 3.81 0.18 5.90 0.15 0.14 -0.27 113.70 123.80 3hox s SER 132 Ca 0.02 -1.45 -0.22 0.00 0.70 0.00 0.00 55.95 55.00 3hox s SER 132 Cb -0.13 -0.12 0.09 0.00 -1.71 0.00 0.00 66.02 64.15 3hox s SER 132 CO 0.01 -0.57 1.59 0.28 1.20 0.00 0.00 173.24 175.74 3hox h SER 133 N 1.69 -1.20 0.00 5.45 0.02 -2.00 -3.33 113.55 114.18 3hox h SER 133 Ca -0.44 0.22 -0.39 0.00 -0.84 0.00 0.00 61.79 60.34 3hox h SER 133 Cb 1.26 0.58 -0.06 0.00 0.14 0.00 0.00 62.40 64.31 3hox h SER 133 CO 0.78 -0.32 -2.38 -0.62 -1.14 0.00 0.00 176.83 173.16 3hox n GLU 134 N -5.43 0.55 -3.49 3.45 4.71 -1.26 -5.02 120.64 114.16 3hox n GLU 134 Ca 0.03 0.19 -0.25 0.00 -0.01 0.00 0.00 57.16 57.12 3hox n GLU 134 Cb 0.35 -1.42 -0.02 0.00 -1.01 0.00 0.00 31.44 29.34 3hox n GLU 134 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3hox s ASP 135 N -6.85 6.35 -0.31 1.62 1.01 -1.25 -5.07 116.67 112.16 3hox s ASP 135 Ca -0.34 0.46 -0.01 0.00 0.71 0.00 0.00 52.55 53.38 3hox s ASP 135 Cb 0.11 -2.04 0.13 0.00 1.01 0.00 0.00 42.92 42.13 3hox s ASP 135 CO 0.48 -0.20 0.25 -0.69 0.21 0.00 0.00 175.17 175.22 3hox s VAL 136 N -2.14 -0.24 0.42 -1.27 1.01 -1.26 0.28 120.40 117.20 3hox s VAL 136 Ca 0.40 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 3hox s VAL 136 Cb -0.10 -0.96 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 3hox s VAL 136 CO 0.33 -0.61 0.91 -0.63 0.00 0.00 0.00 175.10 175.09 3hox s ILE 137 N 2.04 4.48 0.00 2.22 1.01 0.57 -4.86 121.20 126.66 3hox s ILE 137 Ca 0.11 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.07 3hox s ILE 137 Cb -0.16 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3hox s ILE 137 CO -0.27 -0.36 0.00 1.07 0.00 0.00 0.00 174.94 175.38 3hox n THR 138 N -0.75 0.00 0.00 2.92 5.66 -1.26 -0.08 114.28 120.76 3hox n THR 138 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 3hox n THR 138 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 3hox n THR 138 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hox n ILE 139 N -0.49 0.00 -0.76 1.09 3.06 -1.26 0.82 119.36 121.82 3hox n ILE 139 Ca 0.00 0.00 0.07 0.00 -2.50 0.00 0.00 62.75 60.32 3hox n ILE 139 Cb 0.00 0.00 0.17 0.00 0.54 0.00 0.00 39.64 40.35 3hox n ILE 139 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3hox n LYS 140 N 0.00 2.37 -2.41 9.51 5.02 -1.26 -3.81 118.16 127.57 3hox n LYS 140 Ca 0.00 -2.45 -0.42 0.00 -2.02 0.00 0.00 58.31 53.42 3hox n LYS 140 Cb 0.00 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 3hox n LYS 140 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hox s SER 141 N -1.99 7.06 0.57 4.39 1.04 0.24 -4.61 113.70 120.40 3hox s SER 141 Ca 0.30 2.00 -0.18 0.00 0.48 0.00 0.00 55.95 58.55 3hox s SER 141 Cb 0.24 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.74 3hox s SER 141 CO 0.07 -0.49 1.11 -0.13 0.98 0.00 0.00 173.24 174.77 3hox s ARG 142 N 1.23 3.28 -0.16 4.02 0.52 -1.26 -1.98 118.95 124.59 3hox s ARG 142 Ca 0.59 1.50 -0.16 0.00 -0.52 0.00 0.00 55.73 57.14 3hox s ARG 142 Cb -0.29 -2.01 0.04 0.00 0.52 0.00 0.00 34.95 33.22 3hox s ARG 142 CO 0.28 -0.89 0.46 0.42 0.02 0.00 0.00 175.30 175.59 3hox s ILE 143 N -1.97 0.00 -0.36 1.52 1.01 -0.22 -2.80 121.20 118.38 3hox s ILE 143 Ca 0.70 -0.04 -0.14 0.00 0.00 0.00 0.00 60.65 61.18 3hox s ILE 143 Cb -0.22 -0.65 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 3hox s ILE 143 CO 0.30 -0.02 0.26 -0.60 0.00 0.00 0.00 174.94 174.88 3hox s ARG 144 N 0.08 3.31 0.08 2.79 3.52 0.24 -1.16 118.95 127.81 3hox s ARG 144 Ca -0.01 -0.78 0.06 0.00 -0.13 0.00 0.00 55.73 54.87 3hox s ARG 144 Cb -0.03 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 29.46 3hox s ARG 144 CO 0.01 -0.55 -0.06 0.08 -0.81 0.00 0.00 175.30 173.97 3hox s VAL 145 N 1.71 3.63 -0.27 7.11 1.01 0.44 -2.82 120.40 131.21 3hox s VAL 145 Ca 0.06 -1.10 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 3hox s VAL 145 Cb -0.18 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 3hox s VAL 145 CO 0.10 0.16 0.09 -0.75 0.00 0.00 0.00 175.10 174.70 3hox s LYS 146 N -2.12 3.54 -0.45 2.72 2.20 -1.01 0.54 119.74 125.17 3hox s LYS 146 Ca 0.22 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 54.98 3hox s LYS 146 Cb -0.11 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 3hox s LYS 146 CO 0.14 -0.26 1.22 0.42 -0.36 0.00 0.00 175.35 176.52 3hox s ILE 147 N 1.60 4.13 0.14 5.43 1.01 0.07 -0.95 121.20 132.62 3hox s ILE 147 Ca 0.06 1.16 0.03 0.00 0.00 0.00 0.00 60.65 61.89 3hox s ILE 147 Cb -0.16 -4.47 -0.19 0.00 0.01 0.00 0.00 42.46 37.66 3hox s ILE 147 CO 0.04 -0.90 1.31 -0.33 0.00 0.00 0.00 174.94 175.06 3hox h GLU 148 N 9.61 0.15 -1.52 2.79 4.39 0.33 1.53 114.58 131.86 3hox h GLU 148 Ca -0.24 -0.19 0.09 0.00 0.34 0.00 0.00 59.36 59.36 3hox h GLU 148 Cb 1.07 0.06 -0.24 0.00 -0.10 0.00 0.00 28.75 29.55 3hox h GLU 148 CO 1.11 1.00 0.58 0.20 -1.16 0.00 0.00 179.01 180.74 3hox s GLY 149 N -4.59 -0.22 0.11 -3.84 0.00 -0.56 -4.64 107.32 93.59 3hox s GLY 149 Ca -0.02 2.18 0.09 0.00 0.00 0.00 0.00 44.72 46.97 3hox s GLY 149 CO 0.83 1.13 -0.18 0.00 0.00 0.00 0.00 173.10 174.89 3hox s ILE 151 N -1.14 1.51 0.42 0.00 1.01 0.10 -4.97 121.20 118.14 3hox s ILE 151 Ca 0.18 -2.24 -0.25 0.00 0.00 0.00 0.00 60.65 58.34 3hox s ILE 151 Cb -0.11 -2.09 -0.10 0.00 0.01 0.00 0.00 42.46 40.18 3hox s ILE 151 CO 0.10 -0.77 1.23 -1.20 0.00 0.00 0.00 174.94 174.30 3hox n SER 152 N 4.02 2.34 -3.15 3.58 7.64 -1.26 -2.60 113.62 124.19 3hox n SER 152 Ca 0.04 1.09 0.04 0.00 1.01 0.00 0.00 58.87 61.05 3hox n SER 152 Cb 0.38 -1.48 -0.01 0.00 -1.01 0.00 0.00 64.21 62.09 3hox n SER 152 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3hox s GLN 153 N -2.20 0.54 3.90 1.43 0.74 0.27 -4.91 119.66 119.43 3hox s GLN 153 Ca 0.62 0.76 0.00 0.00 0.05 0.00 0.00 55.36 56.78 3hox s GLN 153 Cb -0.51 0.39 0.00 0.00 1.10 0.00 0.00 33.01 33.99 3hox s GLN 153 CO 0.57 -0.79 0.00 0.28 -0.55 0.00 0.00 175.29 174.81 3hox n VAL 154 N 5.42 0.00 -3.21 1.34 0.31 -1.26 -1.86 118.33 119.07 3hox n VAL 154 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.00 3hox n VAL 154 Cb 0.53 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.42 3hox n VAL 154 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hox n SER 155 N 7.67 5.11 0.00 4.52 3.41 -1.26 -4.69 113.62 128.38 3hox n SER 155 Ca 0.00 -3.43 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 3hox n SER 155 Cb 0.00 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 3hox n SER 155 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hox n SER 156 N 1.08 0.00 -4.05 4.04 3.41 -0.78 -4.94 113.62 112.38 3hox n SER 156 Ca 0.28 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.61 3hox n SER 156 Cb 0.37 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.15 3hox n SER 156 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hox s ILE 157 N -2.00 1.44 0.33 -1.33 1.01 -1.26 -0.56 121.20 118.82 3hox s ILE 157 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.11 3hox s ILE 157 Cb 0.00 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3hox s ILE 157 CO 0.00 0.43 0.16 -2.28 0.00 0.00 0.00 174.94 173.25 3hox s HIS 158 N 0.89 2.76 0.15 3.97 5.65 -1.07 -4.41 115.29 123.23 3hox s HIS 158 Ca -0.09 -0.34 -0.23 0.00 0.25 0.00 0.00 55.06 54.64 3hox s HIS 158 Cb -0.15 -1.62 0.07 0.00 -1.18 0.00 0.00 32.58 29.70 3hox s HIS 158 CO 0.00 0.34 0.61 0.00 -0.65 0.00 0.00 174.74 175.05 3hox s ALA 159 N -2.38 -1.61 -0.07 1.58 0.00 -1.22 0.01 121.76 118.07 3hox s ALA 159 Ca 0.38 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.89 3hox s ALA 159 Cb -0.04 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 3hox s ALA 159 CO 0.23 -0.75 -0.11 0.42 0.00 0.00 0.00 175.76 175.55 3hox s ILE 160 N -3.64 3.29 0.15 0.00 1.01 0.18 -0.13 121.20 122.07 3hox s ILE 160 Ca 0.01 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3hox s ILE 160 Cb -0.01 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3hox s ILE 160 CO -0.12 0.58 0.01 -0.83 0.00 0.00 0.00 174.94 174.58 3hox s GLY 161 N -0.60 1.11 0.35 6.18 0.00 -0.17 0.99 107.32 115.19 3hox s GLY 161 Ca 0.09 -1.54 0.07 0.00 0.00 0.00 0.00 44.72 43.34 3hox s GLY 161 CO 0.01 -1.48 -0.02 -1.35 0.00 0.00 0.00 173.10 170.27 3hox s SER 162 N -3.13 3.28 0.00 1.64 1.04 -0.13 -4.13 113.70 112.28 3hox s SER 162 Ca 0.22 -1.29 0.08 0.00 0.48 0.00 0.00 55.95 55.45 3hox s SER 162 Cb 0.06 -0.27 0.14 0.00 0.10 0.00 0.00 66.02 66.05 3hox s SER 162 CO 0.02 -0.40 0.98 2.30 0.98 0.00 0.00 173.24 177.12 3hox n ILE 163 N -0.78 0.00 -0.26 -1.02 -5.35 -0.80 -2.39 119.36 108.74 3hox n ILE 163 Ca -0.05 -0.32 0.10 0.00 -0.27 0.00 0.00 62.75 62.22 3hox n ILE 163 Cb 0.65 0.59 0.31 0.00 -1.74 0.00 0.00 39.64 39.46 3hox n ILE 163 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3hox n LYS 164 N 0.16 2.87 -2.02 6.28 4.81 -1.18 -4.48 118.16 124.60 3hox n LYS 164 Ca -0.01 -2.53 -0.11 0.00 -0.87 0.00 0.00 58.31 54.78 3hox n LYS 164 Cb 0.82 -1.63 0.04 0.00 0.02 0.00 0.00 35.03 34.28 3hox n LYS 164 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hox n GLU 165 N 1.38 0.67 -2.85 1.64 -0.58 -1.26 -4.94 120.64 114.70 3hox n GLU 165 Ca 0.23 -1.70 -0.31 0.00 -0.42 0.00 0.00 57.16 54.97 3hox n GLU 165 Cb 0.65 -0.18 -0.04 0.00 -0.57 0.00 0.00 31.44 31.31 3hox n GLU 165 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hox s ASP 166 N -3.05 6.58 -1.82 1.62 1.01 -1.26 -3.72 116.67 116.03 3hox s ASP 166 Ca 0.34 1.21 0.00 0.00 0.71 0.00 0.00 52.55 54.82 3hox s ASP 166 Cb -0.03 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.55 3hox s ASP 166 CO 0.22 -0.39 0.00 -1.22 0.21 0.00 0.00 175.17 173.99 3hox n TYR 167 N -1.17 -0.55 -4.91 4.23 4.02 -1.26 -4.95 117.16 112.57 3hox n TYR 167 Ca 0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.64 3hox n TYR 167 Cb 0.54 -3.43 -0.17 0.00 -0.02 0.00 0.00 39.34 36.26 3hox n TYR 167 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hox s LEU 168 N -5.13 1.87 0.00 7.72 1.43 -1.24 -5.00 118.68 118.33 3hox s LEU 168 Ca 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3hox s LEU 168 Cb 0.00 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.10 3hox s LEU 168 CO 0.00 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.29 3hox n GLY 169 N 3.64 -0.13 3.74 -3.19 0.00 -1.13 -4.71 105.19 103.41 3hox n GLY 169 Ca -0.21 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 3hox n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hox s ALA 170 N -1.00 2.36 -2.67 4.61 0.00 -1.26 -0.59 121.76 123.22 3hox s ALA 170 Ca 0.00 0.97 0.27 0.00 0.00 0.00 0.00 51.96 53.20 3hox s ALA 170 Cb 0.00 -3.47 0.77 0.00 0.00 0.00 0.00 23.12 20.42 3hox s ALA 170 CO 0.00 -1.49 1.58 -0.89 0.00 0.00 0.00 175.76 174.97