#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux h LEU 3 N 0.00 0.17 -0.47 3.14 6.46 -2.06 -0.22 115.31 122.32 3hux h LEU 3 Ca 0.00 -0.06 -0.17 0.00 -0.12 0.00 0.00 57.88 57.53 3hux h LEU 3 Cb 0.00 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 3hux h LEU 3 CO 0.00 0.50 -0.58 0.28 -0.62 0.00 0.00 178.44 178.02 3hux h SER 4 N 0.14 0.65 0.76 1.25 0.02 -2.05 -3.10 113.55 111.23 3hux h SER 4 Ca 0.02 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 3hux h SER 4 Cb 0.66 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.02 3hux h SER 4 CO 0.05 1.09 -0.36 -0.33 -1.14 0.00 0.00 176.83 176.13 3hux h GLU 5 N 0.44 -0.98 -0.83 3.45 5.08 -1.85 -2.16 114.58 117.73 3hux h GLU 5 Ca 0.00 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3hux h GLU 5 Cb 1.14 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 30.51 3hux h GLU 5 CO 0.11 -0.64 -0.47 0.28 -1.00 0.00 0.00 179.01 177.29 3hux n VAL 6 N -5.46 -0.55 -0.28 3.13 0.31 -0.15 0.11 118.33 115.45 3hux n VAL 6 Ca -0.13 1.99 -0.04 0.00 -0.01 0.00 0.00 64.34 66.15 3hux n VAL 6 Cb 0.41 -2.48 0.07 0.00 -0.91 0.00 0.00 33.84 30.93 3hux n VAL 6 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3hux h ARG 7 N 0.00 1.00 -0.85 5.55 0.11 -1.56 0.23 114.38 118.87 3hux h ARG 7 Ca 0.15 -0.06 0.08 0.00 0.10 0.00 0.00 59.98 60.25 3hux h ARG 7 Cb 0.36 -0.23 -0.06 0.00 1.11 0.00 0.00 29.97 31.15 3hux h ARG 7 CO -0.78 0.66 0.55 -0.22 0.10 0.00 0.00 179.97 180.28 3hux h LYS 8 N 1.03 0.86 0.00 0.08 3.64 0.15 0.76 116.57 123.09 3hux h LYS 8 Ca 0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3hux h LYS 8 Cb -0.10 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.53 3hux h LYS 8 CO -0.07 0.57 0.00 1.04 -2.27 0.00 0.00 179.45 178.72 3hux n GLN 9 N -4.50 0.00 -0.22 1.90 6.02 0.31 -2.24 117.38 118.65 3hux n GLN 9 Ca 0.14 0.41 -0.02 0.00 -0.01 0.00 0.00 57.00 57.52 3hux n GLN 9 Cb 0.26 -1.37 0.04 0.00 1.02 0.00 0.00 30.24 30.19 3hux n GLN 9 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hux h LEU 10 N 0.00 -0.87 0.00 1.08 3.38 -0.51 0.28 115.31 118.66 3hux h LEU 10 Ca 0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hux h LEU 10 Cb 0.00 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hux h LEU 10 CO 0.00 -0.26 0.00 1.21 0.09 0.00 0.00 178.44 179.48 3hux n GLU 11 N -5.45 0.00 -0.32 1.13 2.13 0.26 0.21 120.64 118.61 3hux n GLU 11 Ca 0.07 0.86 0.05 0.00 0.66 0.00 0.00 57.16 58.80 3hux n GLU 11 Cb 0.35 -1.41 0.24 0.00 0.27 0.00 0.00 31.44 30.89 3hux n GLU 11 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3hux h GLU 12 N 0.00 0.99 -0.28 5.31 4.81 -1.10 -2.77 114.58 121.54 3hux h GLU 12 Ca 0.00 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 3hux h GLU 12 Cb 0.00 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3hux h GLU 12 CO 0.00 0.66 -0.07 0.00 -0.73 0.00 0.00 179.01 178.87 3hux h ALA 13 N 1.51 1.37 0.00 2.92 0.00 0.82 -2.85 119.26 123.04 3hux h ALA 13 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hux h ALA 13 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hux h ALA 13 CO -0.17 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3hux h ARG 14 N 0.42 0.00 -0.77 0.00 2.47 0.07 -2.70 114.38 113.87 3hux h ARG 14 Ca 0.09 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.25 3hux h ARG 14 Cb 0.39 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.31 3hux h ARG 14 CO 0.02 0.00 -0.51 0.36 0.56 0.00 0.00 179.97 180.40 3hux n LYS 15 N -2.46 3.39 -0.03 0.04 2.85 -1.07 -4.71 118.16 116.17 3hux n LYS 15 Ca 0.01 -3.99 0.03 0.00 -1.05 0.00 0.00 58.31 53.31 3hux n LYS 15 Cb 0.23 -2.26 -0.12 0.00 -0.65 0.00 0.00 35.03 32.23 3hux n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hux n LEU 16 N -0.76 0.00 0.00 -5.58 4.77 -1.02 -5.07 117.00 109.34 3hux n LEU 16 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3hux n LEU 16 Cb 0.91 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3hux n LEU 16 CO 0.46 0.12 0.00 -1.54 -1.33 0.00 0.00 177.39 175.09 3hux n SER 17 N -2.20 -0.54 -0.10 -1.43 3.41 -1.26 -4.41 113.62 107.08 3hux n SER 17 Ca -0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.41 3hux n SER 17 Cb 0.59 0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 65.12 3hux n SER 17 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3hux h PRO 18 N 0.00 -0.28 -0.05 4.33 0.11 -1.93 -1.53 132.00 132.64 3hux h PRO 18 Ca 0.00 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.14 3hux h PRO 18 Cb 0.00 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3hux h PRO 18 CO 0.00 -0.19 0.05 0.28 -0.21 0.00 0.00 178.00 177.94 3hux h VAL 19 N -0.29 0.61 0.14 3.15 2.07 -2.00 -0.68 116.25 119.24 3hux h VAL 19 Ca 0.05 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.29 3hux h VAL 19 Cb 0.44 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3hux h VAL 19 CO -0.44 0.00 -1.31 -0.08 0.02 0.00 0.00 177.57 175.76 3hux h GLU 20 N 0.00 0.29 0.12 1.57 4.57 -1.67 -3.18 114.58 116.27 3hux h GLU 20 Ca 0.02 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 3hux h GLU 20 Cb 0.13 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3hux h GLU 20 CO -0.00 1.22 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.92 3hux h LEU 21 N 0.08 -0.13 -0.68 1.64 3.38 -0.17 0.10 115.31 119.52 3hux h LEU 21 Ca -0.16 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 57.83 3hux h LEU 21 Cb 2.00 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 42.65 3hux h LEU 21 CO 0.20 0.01 -0.31 -0.33 0.09 0.00 0.00 178.44 178.10 3hux h GLU 22 N -0.27 -0.10 0.18 1.13 5.08 -1.28 -0.91 114.58 118.42 3hux h GLU 22 Ca -0.02 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3hux h GLU 22 Cb 0.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3hux h GLU 22 CO 0.03 -0.07 -0.09 0.87 -1.00 0.00 0.00 179.01 178.75 3hux h LYS 23 N -0.11 -0.24 0.00 2.33 1.57 -1.45 -1.99 116.57 116.69 3hux h LYS 23 Ca 0.28 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3hux h LYS 23 Cb 0.56 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3hux h LYS 23 CO -0.75 -0.14 0.01 -0.11 -0.57 0.00 0.00 179.45 177.89 3hux n LEU 24 N -5.19 0.00 -0.12 2.94 7.94 0.32 -1.97 117.00 120.93 3hux n LEU 24 Ca -0.09 0.22 -0.23 0.00 -1.11 0.00 0.00 56.01 54.80 3hux n LEU 24 Cb 0.13 -0.22 -0.09 0.00 0.53 0.00 0.00 43.42 43.77 3hux n LEU 24 CO 0.34 -0.22 -1.32 0.52 -1.11 0.00 0.00 177.39 175.61 3hux n VAL 25 N -1.21 1.34 -0.18 1.96 0.31 -0.48 -3.73 118.33 116.35 3hux n VAL 25 Ca 0.00 -0.40 -0.04 0.00 -0.01 0.00 0.00 64.34 63.88 3hux n VAL 25 Cb 0.01 -1.65 0.02 0.00 -0.91 0.00 0.00 33.84 31.31 3hux n VAL 25 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3hux h ARG 26 N -0.57 -0.13 -0.92 5.55 3.08 -0.87 0.91 114.38 121.42 3hux h ARG 26 Ca -0.59 0.01 0.13 0.00 0.07 0.00 0.00 59.98 59.60 3hux h ARG 26 Cb 1.64 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.64 3hux h ARG 26 CO -0.27 -0.09 0.59 0.93 -1.07 0.00 0.00 179.97 180.06 3hux h GLU 27 N -0.14 0.77 0.13 0.04 5.08 -1.73 0.94 114.58 119.67 3hux h GLU 27 Ca 0.24 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3hux h GLU 27 Cb 0.52 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3hux h GLU 27 CO -0.64 0.51 -0.06 0.87 -1.00 0.00 0.00 179.01 178.69 3hux h LYS 28 N 0.79 -0.17 -0.93 2.33 1.79 -0.25 -1.21 116.57 118.92 3hux h LYS 28 Ca 0.46 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 59.08 3hux h LYS 28 Cb 0.63 0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.24 3hux h LYS 28 CO -0.22 0.26 0.60 0.87 -1.08 0.00 0.00 179.45 179.87 3hux h LYS 29 N -0.67 0.76 -0.01 3.15 1.79 0.18 0.02 116.57 121.79 3hux h LYS 29 Ca -0.02 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3hux h LYS 29 Cb 0.51 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3hux h LYS 29 CO 0.03 0.50 0.00 0.07 -1.08 0.00 0.00 179.45 178.97 3hux h ARG 30 N 0.78 0.02 -0.92 3.15 0.11 0.96 -1.95 114.38 116.53 3hux h ARG 30 Ca 0.47 -0.01 0.12 0.00 0.10 0.00 0.00 59.98 60.67 3hux h ARG 30 Cb 0.67 -0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.68 3hux h ARG 30 CO -0.24 0.32 0.59 0.93 0.10 0.00 0.00 179.97 181.67 3hux h GLU 31 N -0.28 0.81 -0.48 0.08 5.08 -0.00 0.17 114.58 119.97 3hux h GLU 31 Ca 0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3hux h GLU 31 Cb 0.31 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3hux h GLU 31 CO 0.00 0.54 0.07 1.25 -1.00 0.00 0.00 179.01 179.87 3hux h LEU 32 N 0.84 0.70 0.32 1.33 6.46 -0.78 -2.13 115.31 122.04 3hux h LEU 32 Ca 0.45 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 58.06 3hux h LEU 32 Cb 0.54 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 3hux h LEU 32 CO -0.21 0.72 -0.15 -0.03 -0.62 0.00 0.00 178.44 178.15 3hux h MET 33 N 0.71 -0.41 -0.86 1.25 4.05 0.09 -2.01 114.93 117.75 3hux h MET 33 Ca 0.15 0.03 0.25 0.00 -0.28 0.00 0.00 59.70 59.85 3hux h MET 33 Cb 0.33 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 3hux h MET 33 CO 0.01 -0.13 0.74 1.49 0.23 0.00 0.00 176.91 179.24 3hux h GLU 34 N -0.67 0.00 0.27 0.39 4.57 -0.97 0.91 114.58 119.07 3hux h GLU 34 Ca -0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3hux h GLU 34 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3hux h GLU 34 CO 0.07 0.00 -0.13 -0.07 -1.18 0.00 0.00 179.01 177.70 3hux h LEU 35 N 0.00 -0.31 -0.96 1.64 3.38 -1.11 -2.18 115.31 115.77 3hux h LEU 35 Ca 0.41 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.70 3hux h LEU 35 Cb 1.88 0.08 -0.17 0.00 0.09 0.00 0.00 40.66 42.54 3hux h LEU 35 CO -0.00 0.11 0.27 0.03 0.09 0.00 0.00 178.44 178.94 3hux h ARG 36 N -1.03 0.09 -0.68 1.13 3.08 -0.18 1.79 114.38 118.58 3hux h ARG 36 Ca -0.04 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3hux h ARG 36 Cb 0.28 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3hux h ARG 36 CO 0.06 0.06 0.30 0.74 -1.07 0.00 0.00 179.97 180.06 3hux h PHE 37 N 0.09 1.01 -0.33 3.04 -1.00 -0.97 1.29 116.94 120.08 3hux h PHE 37 Ca 0.67 -0.07 -0.09 0.00 2.81 0.00 0.00 57.97 61.29 3hux h PHE 37 Cb 1.51 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 40.75 3hux h PHE 37 CO -0.26 0.78 -0.19 1.96 -1.61 0.00 0.00 178.31 178.99 3hux h GLN 38 N 0.96 0.61 -0.28 1.51 4.20 0.29 -2.89 115.11 119.52 3hux h GLN 38 Ca 0.23 -0.22 -0.17 0.00 0.06 0.00 0.00 58.65 58.56 3hux h GLN 38 Cb 0.17 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3hux h GLN 38 CO -0.02 0.76 -0.48 0.00 -0.67 0.00 0.00 178.83 178.42 3hux h ALA 39 N 1.25 0.43 0.00 3.87 0.00 0.18 -2.88 119.26 122.12 3hux h ALA 39 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hux h ALA 39 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hux h ALA 39 CO 0.04 0.59 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 3hux n SER 40 N -4.09 0.39 -1.05 0.00 3.41 0.43 0.11 113.62 112.81 3hux n SER 40 Ca -0.05 0.67 0.02 0.00 -0.26 0.00 0.00 58.87 59.25 3hux n SER 40 Cb 0.59 -0.72 0.23 0.00 -0.26 0.00 0.00 64.21 64.04 3hux n SER 40 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hux n ILE 41 N -2.01 2.44 0.00 -1.33 -5.35 -1.09 -5.03 119.36 107.00 3hux n ILE 41 Ca -0.00 -2.28 0.00 0.00 -0.27 0.00 0.00 62.75 60.20 3hux n ILE 41 Cb 0.05 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.66 3hux n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hux n GLY 42 N -0.83 0.55 3.15 3.28 0.00 0.12 -4.23 105.19 107.22 3hux n GLY 42 Ca 0.28 0.74 -0.07 0.00 0.00 0.00 0.00 46.02 46.97 3hux n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hux n GLN 43 N 0.00 0.01 0.00 1.61 7.27 -1.26 -2.66 117.38 122.35 3hux n GLN 43 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 57.00 56.68 3hux n GLN 43 Cb 0.00 -1.65 0.00 0.00 2.41 0.00 0.00 30.24 31.00 3hux n GLN 43 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3hux n LEU 44 N 7.21 0.00 -3.63 1.69 -0.00 -1.26 -5.07 117.00 115.95 3hux n LEU 44 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.09 3hux n LEU 44 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.79 3hux n LEU 44 CO 0.52 0.00 1.09 -0.55 -0.00 0.00 0.00 177.39 178.45 3hux s SER 45 N 0.00 -0.10 -0.46 1.96 0.15 -1.09 -3.93 113.70 110.23 3hux s SER 45 Ca 0.00 0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.79 3hux s SER 45 Cb 0.00 0.09 0.13 0.00 -1.71 0.00 0.00 66.02 64.53 3hux s SER 45 CO 0.00 -0.09 0.23 -1.10 1.20 0.00 0.00 173.24 173.48 3hux s GLN 46 N -0.96 1.56 0.00 5.44 -1.52 -1.26 -5.06 119.66 117.86 3hux s GLN 46 Ca 0.07 -2.22 0.00 0.00 -1.95 0.00 0.00 55.36 51.26 3hux s GLN 46 Cb -0.01 -2.78 0.00 0.00 -0.22 0.00 0.00 33.01 30.00 3hux s GLN 46 CO -0.07 -1.12 0.00 0.09 -0.25 0.00 0.00 175.29 173.94 3hux n ASN 47 N 3.45 0.00 0.21 5.90 3.02 -1.26 -2.31 115.26 124.27 3hux n ASN 47 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3hux n ASN 47 Cb 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 3hux n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hux n HIS 48 N 0.00 0.00 0.17 3.10 1.44 -1.26 0.16 115.22 118.84 3hux n HIS 48 Ca 0.00 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.76 3hux n HIS 48 Cb 0.00 0.00 0.49 0.00 0.12 0.00 0.00 29.99 30.60 3hux n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3hux h LYS 49 N 0.00 0.13 0.00 -1.40 1.79 -1.88 0.11 116.57 115.31 3hux h LYS 49 Ca 0.00 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 3hux h LYS 49 Cb 1.47 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.08 3hux h LYS 49 CO 0.00 0.23 -0.58 0.82 -1.08 0.00 0.00 179.45 178.84 3hux h ILE 50 N 0.13 1.32 -0.19 1.86 2.04 0.13 -2.59 117.51 120.20 3hux h ILE 50 Ca 0.03 -2.21 0.04 0.00 1.00 0.00 0.00 64.86 63.72 3hux h ILE 50 Cb 0.24 2.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 3hux h ILE 50 CO 0.01 0.45 -0.06 -0.09 0.00 0.00 0.00 178.15 178.46 3hux h ARG 51 N -1.00 -0.01 -0.70 2.37 2.43 -1.63 0.90 114.38 116.73 3hux h ARG 51 Ca -0.16 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3hux h ARG 51 Cb 1.10 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 3hux h ARG 51 CO -0.10 -0.01 0.38 0.22 -1.51 0.00 0.00 179.97 178.95 3hux h ASP 52 N -0.01 0.54 -0.16 -3.80 3.58 -0.93 -2.42 116.42 113.21 3hux h ASP 52 Ca 0.10 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 3hux h ASP 52 Cb 0.16 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 3hux h ASP 52 CO -0.21 0.33 -0.19 0.25 -2.88 0.00 0.00 179.24 176.55 3hux h LEU 53 N 0.68 0.45 -0.73 2.28 6.46 -1.03 -2.64 115.31 120.78 3hux h LEU 53 Ca 0.33 -0.50 0.15 0.00 -0.12 0.00 0.00 57.88 57.74 3hux h LEU 53 Cb 0.26 -0.13 -0.10 0.00 -0.73 0.00 0.00 40.66 39.97 3hux h LEU 53 CO -0.22 0.85 0.23 0.11 -0.62 0.00 0.00 178.44 178.80 3hux h LYS 54 N 0.05 0.34 -0.61 1.25 1.57 -0.58 -0.28 116.57 118.31 3hux h LYS 54 Ca 0.02 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3hux h LYS 54 Cb 0.74 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3hux h LYS 54 CO 0.05 0.22 -0.00 0.00 -0.57 0.00 0.00 179.45 179.15 3hux h ARG 55 N 0.35 1.08 -0.91 3.15 3.08 -1.40 -1.86 114.38 117.88 3hux h ARG 55 Ca 0.40 -0.35 0.12 0.00 0.07 0.00 0.00 59.98 60.23 3hux h ARG 55 Cb 0.65 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.52 3hux h ARG 55 CO -0.45 1.05 0.54 1.96 -1.07 0.00 0.00 179.97 182.01 3hux h GLN 56 N 0.98 0.82 0.93 0.04 4.20 -0.69 0.62 115.11 122.01 3hux h GLN 56 Ca 0.17 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3hux h GLN 56 Cb 0.57 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.17 3hux h GLN 56 CO 0.03 0.54 -0.45 0.82 -0.67 0.00 0.00 178.83 179.11 3hux h ILE 57 N 0.85 0.03 -0.26 2.54 1.08 -1.03 0.32 117.51 121.04 3hux h ILE 57 Ca 0.46 -0.07 0.08 0.00 -0.39 0.00 0.00 64.86 64.94 3hux h ILE 57 Cb 0.49 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 3hux h ILE 57 CO -0.28 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 177.61 3hux h ALA 58 N -1.29 1.84 0.08 1.87 0.00 -0.39 0.15 119.26 121.52 3hux h ALA 58 Ca -0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3hux h ALA 58 Cb 0.96 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hux h ALA 58 CO 0.21 -0.56 -0.76 -0.09 0.00 0.00 0.00 179.25 178.05 3hux h ARG 59 N 0.00 0.17 0.74 0.00 2.43 0.95 -2.91 114.38 115.76 3hux h ARG 59 Ca 0.12 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3hux h ARG 59 Cb 0.98 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3hux h ARG 59 CO -0.00 1.14 -0.40 -0.07 -1.51 0.00 0.00 179.97 179.13 3hux h LEU 60 N -0.60 -0.97 -1.47 3.80 4.07 0.46 -1.18 115.31 119.42 3hux h LEU 60 Ca -0.16 0.04 0.21 0.00 0.08 0.00 0.00 57.88 58.06 3hux h LEU 60 Cb 1.45 0.27 -0.03 0.00 1.08 0.00 0.00 40.66 43.43 3hux h LEU 60 CO 0.05 -0.65 0.86 -0.07 -1.08 0.00 0.00 178.44 177.55 3hux h LEU 61 N -1.05 0.00 -0.08 1.67 3.38 -0.90 1.18 115.31 119.50 3hux h LEU 61 Ca -0.10 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.63 3hux h LEU 61 Cb 0.82 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.59 3hux h LEU 61 CO 0.14 0.00 -0.90 0.74 0.09 0.00 0.00 178.44 178.51 3hux h THR 62 N 0.00 1.28 -0.10 0.22 2.02 -1.01 -2.90 112.91 112.42 3hux h THR 62 Ca 0.34 -2.09 -0.24 0.00 0.77 0.00 0.00 66.41 65.19 3hux h THR 62 Cb 2.06 2.17 0.01 0.00 -1.74 0.00 0.00 68.15 70.64 3hux h THR 62 CO -0.00 0.66 -0.87 0.58 0.37 0.00 0.00 175.52 176.26 3hux h VAL 63 N 0.47 1.28 -0.38 3.16 2.07 0.18 -1.58 116.25 121.44 3hux h VAL 63 Ca -0.09 -2.06 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 3hux h VAL 63 Cb 1.54 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 3hux h VAL 63 CO 0.18 0.65 0.24 0.25 0.02 0.00 0.00 177.57 178.91 3hux h LEU 64 N 0.49 0.44 -0.05 2.57 6.46 -1.28 0.01 115.31 123.96 3hux h LEU 64 Ca -0.08 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 3hux h LEU 64 Cb 1.50 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.32 3hux h LEU 64 CO 0.18 0.34 -0.04 -1.13 -0.62 0.00 0.00 178.44 177.16 3hux h ASN 65 N 0.52 0.13 0.46 1.25 -1.24 -1.30 -1.45 115.58 113.95 3hux h ASN 65 Ca 0.14 -0.45 0.00 0.00 0.71 0.00 0.00 56.30 56.69 3hux h ASN 65 Cb -0.03 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 38.98 3hux h ASN 65 CO -0.03 0.56 0.00 -1.84 -1.29 0.00 0.00 177.43 174.83 3hux n GLU 66 N -4.77 0.11 0.07 6.67 0.28 -0.61 -1.15 120.64 121.24 3hux n GLU 66 Ca -0.07 0.43 0.11 0.00 -0.16 0.00 0.00 57.16 57.46 3hux n GLU 66 Cb 0.27 -1.75 -0.01 0.00 1.43 0.00 0.00 31.44 31.38 3hux n GLU 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3hux n LYS 67 N -1.97 0.53 0.00 3.44 4.81 -0.07 -3.56 118.16 121.34 3hux n LYS 67 Ca 0.02 0.05 0.13 0.00 -0.87 0.00 0.00 58.31 57.64 3hux n LYS 67 Cb 0.15 -1.73 0.75 0.00 0.02 0.00 0.00 35.03 34.22 3hux n LYS 67 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3hux n ARG 68 N -2.44 0.62 -1.54 1.64 5.12 -0.30 -2.34 116.66 117.43 3hux n ARG 68 Ca 0.00 0.02 -0.32 0.00 -1.93 0.00 0.00 57.85 55.61 3hux n ARG 68 Cb 0.52 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.39 3hux n ARG 68 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hux n ARG 69 N -1.14 2.93 0.12 5.56 1.74 -1.23 -4.34 116.66 120.31 3hux n ARG 69 Ca 0.17 -3.53 0.00 0.00 -0.77 0.00 0.00 57.85 53.71 3hux n ARG 69 Cb 0.15 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 3hux n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hux n GLN 70 N -0.85 0.00 0.00 5.56 10.64 -1.08 -4.93 117.38 126.72 3hux n GLN 70 Ca 0.58 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.75 3hux n GLN 70 Cb 0.72 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.10 3hux n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hux n ASN 71 N -2.99 2.27 -0.78 2.61 4.13 -0.99 -5.17 115.26 114.35 3hux n ASN 71 Ca 0.00 -1.71 0.10 0.00 1.68 0.00 0.00 54.58 54.65 3hux n ASN 71 Cb 0.00 -0.43 0.08 0.00 -1.54 0.00 0.00 39.78 37.89 3hux n ASN 71 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54