#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxj s GLU 4 N 0.00 4.26 0.33 2.61 2.56 -1.26 -5.09 118.70 122.11 2hxj s GLU 4 Ca 0.00 2.22 0.06 0.00 0.00 0.00 0.00 54.97 57.25 2hxj s GLU 4 Cb 0.00 -3.28 -0.01 0.00 2.00 0.00 0.00 34.13 32.84 2hxj s GLU 4 CO 0.00 -0.56 0.47 0.99 -0.56 0.00 0.00 175.26 175.60 2hxj s THR 5 N 1.42 4.18 0.17 -1.70 2.01 -1.26 -4.97 115.64 115.48 2hxj s THR 5 Ca 0.68 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 2hxj s THR 5 Cb -0.40 -3.45 0.06 0.00 0.01 0.00 0.00 72.50 68.72 2hxj s THR 5 CO 0.31 -0.18 1.68 0.00 -0.69 0.00 0.00 174.62 175.73 2hxj h ALA 6 N 0.89 0.77 -0.67 7.40 0.00 -1.99 -1.57 119.26 124.08 2hxj h ALA 6 Ca -0.46 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 2hxj h ALA 6 Cb 1.25 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2hxj h ALA 6 CO 0.54 0.47 0.09 1.25 0.00 0.00 0.00 179.25 181.60 2hxj h LEU 7 N 0.84 1.08 -0.79 0.00 7.12 -1.99 -2.07 115.31 119.50 2hxj h LEU 7 Ca 0.18 -0.27 -0.06 0.00 0.13 0.00 0.00 57.88 57.87 2hxj h LEU 7 Cb 0.35 -0.29 -0.03 0.00 -0.53 0.00 0.00 40.66 40.16 2hxj h LEU 7 CO 0.00 1.07 0.23 1.23 -0.13 0.00 0.00 178.44 180.85 2hxj h GLY 8 N 1.05 1.22 1.49 3.75 0.00 -1.86 -0.92 103.07 107.80 2hxj h GLY 8 Ca 0.20 -0.72 -0.17 0.00 0.00 0.00 0.00 47.33 46.65 2hxj h GLY 8 CO 0.02 0.67 -0.62 0.00 0.00 0.00 0.00 176.54 176.61 2hxj h ALA 9 N 1.16 0.65 -0.04 3.60 0.00 -1.14 -2.28 119.26 121.21 2hxj h ALA 9 Ca 0.24 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2hxj h ALA 9 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2hxj h ALA 9 CO -0.01 0.71 -0.65 0.00 0.00 0.00 0.00 179.25 179.30 2hxj h ALA 10 N 0.94 0.83 -0.24 0.00 0.00 -1.12 -1.61 119.26 118.07 2hxj h ALA 10 Ca -0.01 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2hxj h ALA 10 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2hxj h ALA 10 CO 0.11 0.78 -0.12 1.25 0.00 0.00 0.00 179.25 181.27 2hxj h LEU 11 N 0.11 0.52 -0.13 0.00 7.12 -1.03 -0.73 115.31 121.17 2hxj h LEU 11 Ca -0.01 -0.42 0.04 0.00 0.13 0.00 0.00 57.88 57.63 2hxj h LEU 11 Cb 1.17 -0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 41.11 2hxj h LEU 11 CO 0.10 0.82 -0.18 0.50 -0.13 0.00 0.00 178.44 179.55 2hxj h LYS 12 N 0.21 -0.22 -0.84 1.25 3.64 -1.34 0.18 116.57 119.45 2hxj h LYS 12 Ca 0.05 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2hxj h LYS 12 Cb 0.63 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 2hxj h LYS 12 CO 0.04 -0.14 0.51 0.77 -2.27 0.00 0.00 179.45 178.36 2hxj h SER 13 N -0.23 0.80 -0.40 4.20 0.02 -1.12 -1.72 113.55 115.09 2hxj h SER 13 Ca 0.10 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2hxj h SER 13 Cb 0.37 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2hxj h SER 13 CO -0.26 0.51 0.09 0.00 -1.14 0.00 0.00 176.83 176.03 2hxj h ALA 14 N 1.40 0.53 -0.25 3.77 0.00 -0.56 -1.84 119.26 122.33 2hxj h ALA 14 Ca 0.37 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2hxj h ALA 14 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2hxj h ALA 14 CO -0.18 0.22 0.14 0.28 0.00 0.00 0.00 179.25 179.71 2hxj h VAL 15 N 0.51 1.11 0.00 0.00 2.07 -0.59 -2.35 116.25 117.00 2hxj h VAL 15 Ca 0.13 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2hxj h VAL 15 Cb 0.33 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2hxj h VAL 15 CO 0.00 0.11 -0.10 1.56 0.02 0.00 0.00 177.57 179.17 2hxj h GLN 16 N 0.29 0.00 -3.65 1.57 4.20 -1.09 -3.39 115.11 113.04 2hxj h GLN 16 Ca 0.09 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.37 2hxj h GLN 16 Cb 0.06 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.86 2hxj h GLN 16 CO -0.01 0.10 2.54 0.25 -0.67 0.00 0.00 178.83 181.03 2hxj n THR 17 N -4.23 2.29 0.00 -0.54 -2.24 -0.71 -4.32 114.28 104.53 2hxj n THR 17 Ca -0.03 -1.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 2hxj n THR 17 Cb 0.18 -2.16 0.00 0.00 -2.10 0.00 0.00 70.33 66.24 2hxj n THR 17 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hxj n SER 19 N 4.86 0.00 0.20 3.42 2.88 -1.26 -4.62 113.62 119.10 2hxj n SER 19 Ca 0.45 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 58.04 2hxj n SER 19 Cb 0.18 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.08 2hxj n SER 19 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2hxj h LYS 20 N 0.53 0.00 -0.26 -1.46 2.10 -1.98 0.25 116.57 115.75 2hxj h LYS 20 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 2hxj h LYS 20 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2hxj h LYS 20 CO 0.00 0.31 -0.58 0.87 -2.00 0.00 0.00 179.45 178.04 2hxj h LYS 21 N 0.00 0.82 -0.01 0.07 1.57 -1.95 -1.44 116.57 115.63 2hxj h LYS 21 Ca -0.00 -0.54 -0.23 0.00 -1.87 0.00 0.00 60.65 58.00 2hxj h LYS 21 Cb 0.61 0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.00 2hxj h LYS 21 CO 0.04 1.17 -0.95 -0.22 -0.57 0.00 0.00 179.45 178.92 2hxj h LYS 22 N 0.62 0.49 -0.68 3.15 1.63 -1.77 -2.95 116.57 117.07 2hxj h LYS 22 Ca 0.00 -0.52 -0.04 0.00 -0.85 0.00 0.00 60.65 59.25 2hxj h LYS 22 Cb 1.19 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.93 2hxj h LYS 22 CO 0.13 1.16 0.28 0.37 -3.45 0.00 0.00 179.45 177.93 2hxj h GLN 23 N 0.28 0.99 -0.18 1.90 4.15 -0.36 -2.98 115.11 118.92 2hxj h GLN 23 Ca -0.09 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.15 2hxj h GLN 23 Cb 1.59 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 2hxj h GLN 23 CO 0.17 0.80 0.03 1.15 -1.93 0.00 0.00 178.83 179.05 2hxj h THR 24 N 0.98 1.22 0.00 2.39 2.02 -1.28 -0.92 112.91 117.31 2hxj h THR 24 Ca 0.23 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2hxj h THR 24 Cb 0.17 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2hxj h THR 24 CO -0.02 0.22 0.00 -0.62 0.37 0.00 0.00 175.52 175.47 2hxj n GLU 25 N -4.77 0.17 0.00 6.66 1.02 -1.11 -2.12 120.64 120.48 2hxj n GLU 25 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2hxj n GLU 25 Cb 0.18 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2hxj n GLU 25 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2hxj n ILE 27 N 0.84 0.00 0.24 -3.67 5.41 -0.35 -1.54 119.36 120.28 2hxj n ILE 27 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 2hxj n ILE 27 Cb 0.08 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.93 2hxj n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hxj h ALA 28 N 0.00 -0.59 -0.77 -1.39 0.00 -1.70 0.13 119.26 114.94 2hxj h ALA 28 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2hxj h ALA 28 Cb 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2hxj h ALA 28 CO 0.00 -0.73 0.45 -0.44 0.00 0.00 0.00 179.25 178.53 2hxj h ASP 29 N -0.80 0.70 -0.17 0.00 3.32 -1.55 0.19 116.42 118.10 2hxj h ASP 29 Ca -0.06 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2hxj h ASP 29 Cb 0.55 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2hxj h ASP 29 CO 0.10 0.45 0.11 -0.74 -1.72 0.00 0.00 179.24 177.44 2hxj h HIS 30 N 0.83 0.22 -0.16 4.55 2.76 -1.74 -1.36 115.15 120.25 2hxj h HIS 30 Ca 0.34 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.47 2hxj h HIS 30 Cb 0.18 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 2hxj h HIS 30 CO -0.05 0.16 -0.04 0.82 -1.30 0.00 0.00 177.93 177.51 2hxj h ILE 31 N 0.22 1.29 0.00 6.26 2.04 0.28 -0.18 117.51 127.41 2hxj h ILE 31 Ca 0.06 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2hxj h ILE 31 Cb -0.00 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2hxj h ILE 31 CO -0.01 0.30 0.00 -1.22 0.00 0.00 0.00 178.15 177.22 2hxj n TYR 32 N -4.67 0.84 -0.06 1.37 4.02 0.58 -1.77 117.16 117.47 2hxj n TYR 32 Ca -0.05 0.32 -0.17 0.00 -0.01 0.00 0.00 57.90 57.98 2hxj n TYR 32 Cb 0.27 -1.01 -0.13 0.00 -0.02 0.00 0.00 39.34 38.44 2hxj n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hxj n GLY 33 N 0.20 -0.60 0.12 2.72 0.00 -0.52 -4.45 105.19 102.67 2hxj n GLY 33 Ca 0.03 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 2hxj n GLY 33 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2hxj h LYS 34 N 0.03 0.24 -4.93 1.61 3.11 -1.02 -3.47 116.57 112.14 2hxj h LYS 34 Ca -0.48 -0.41 -0.66 0.00 -2.81 0.00 0.00 60.65 56.28 2hxj h LYS 34 Cb 2.01 0.15 -0.26 0.00 -1.00 0.00 0.00 32.23 33.13 2hxj h LYS 34 CO 0.01 1.08 -0.67 0.71 -2.81 0.00 0.00 179.45 177.77 2hxj s TYR 35 N -2.60 3.04 0.42 1.91 1.51 -0.73 -4.99 117.35 115.92 2hxj s TYR 35 Ca -0.12 -0.84 0.12 0.00 -1.01 0.00 0.00 57.07 55.22 2hxj s TYR 35 Cb 0.07 -2.17 0.89 0.00 -0.11 0.00 0.00 41.96 40.64 2hxj s TYR 35 CO 0.83 -0.51 1.96 -0.44 -1.11 0.00 0.00 175.55 176.28 2hxj h ASP 36 N 8.17 0.13 -0.13 2.29 3.32 -1.87 -1.82 116.42 126.50 2hxj h ASP 36 Ca -0.38 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 2hxj h ASP 36 Cb 1.15 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2hxj h ASP 36 CO 0.59 0.28 0.03 -0.37 -1.72 0.00 0.00 179.24 178.05 2hxj h VAL 37 N 0.13 1.12 0.18 -1.35 -1.51 -1.88 0.92 116.25 113.87 2hxj h VAL 37 Ca 0.03 -0.45 -0.30 0.00 -1.23 0.00 0.00 66.70 64.75 2hxj h VAL 37 Cb 0.33 0.93 0.02 0.00 -2.13 0.00 0.00 31.29 30.44 2hxj h VAL 37 CO 0.02 0.15 -1.42 -0.26 -1.23 0.00 0.00 177.57 174.84 2hxj h PHE 38 N 0.30 0.70 -0.38 5.19 -1.00 -1.76 0.23 116.94 120.23 2hxj h PHE 38 Ca 0.07 -0.51 -0.07 0.00 2.81 0.00 0.00 57.97 60.27 2hxj h PHE 38 Cb 0.16 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 2hxj h PHE 38 CO 0.00 1.55 -0.06 -0.22 -1.61 0.00 0.00 178.31 177.97 2hxj h LYS 39 N -0.07 0.63 -0.70 1.51 3.64 -0.97 -2.52 116.57 118.10 2hxj h LYS 39 Ca -0.27 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2hxj h LYS 39 Cb 1.96 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2hxj h LYS 39 CO 0.18 0.70 0.00 0.54 -2.27 0.00 0.00 179.45 178.59 2hxj n ARG 40 N -4.21 2.67 -3.80 1.90 1.74 0.29 -4.98 116.66 110.27 2hxj n ARG 40 Ca 0.01 -2.59 -0.34 0.00 -0.77 0.00 0.00 57.85 54.16 2hxj n ARG 40 Cb 0.31 -1.56 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 2hxj n ARG 40 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2hxj n PHE 41 N 1.63 -1.77 -3.35 -1.55 3.01 -0.95 -5.00 117.46 109.49 2hxj n PHE 41 Ca 0.24 0.39 -0.29 0.00 1.01 0.00 0.00 57.45 58.81 2hxj n PHE 41 Cb 0.62 -3.32 -0.03 0.00 -0.01 0.00 0.00 39.48 36.73 2hxj n PHE 41 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2hxj s LYS 42 N -6.36 3.64 0.15 -1.08 1.02 0.04 -4.79 119.74 112.36 2hxj s LYS 42 Ca 0.43 0.01 -0.31 0.00 0.02 0.00 0.00 55.97 56.12 2hxj s LYS 42 Cb -0.18 -2.65 -0.11 0.00 -0.52 0.00 0.00 37.83 34.38 2hxj s LYS 42 CO 0.89 0.22 1.72 -2.14 -0.92 0.00 0.00 175.35 175.12 2hxj s PRO 43 N -3.51 4.15 0.08 -1.68 0.02 -1.26 -4.86 135.00 127.94 2hxj s PRO 43 Ca 0.44 2.53 -0.19 0.00 0.02 0.00 0.00 61.00 63.79 2hxj s PRO 43 Cb -0.11 -3.33 -0.07 0.00 0.02 0.00 0.00 34.50 31.02 2hxj s PRO 43 CO 0.29 -0.76 0.57 -0.51 -0.33 0.00 0.00 177.00 176.27 2hxj s LEU 44 N 1.88 4.52 0.78 -5.54 1.43 -1.26 -0.43 118.68 120.07 2hxj s LEU 44 Ca 0.76 1.26 -0.13 0.00 -1.03 0.00 0.00 54.13 54.99 2hxj s LEU 44 Cb -0.46 -2.91 0.07 0.00 0.03 0.00 0.00 46.19 42.91 2hxj s LEU 44 CO 0.33 0.27 1.18 0.00 0.23 0.00 0.00 176.35 178.37 2hxj s ALA 45 N -1.12 1.98 0.38 4.21 0.00 -0.46 -4.66 121.76 122.08 2hxj s ALA 45 Ca 0.29 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 2hxj s ALA 45 Cb -0.19 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 2hxj s ALA 45 CO 0.19 -2.08 1.48 -1.17 0.00 0.00 0.00 175.76 174.18 2hxj s LEU 46 N -5.56 4.32 -0.14 0.00 0.20 -1.26 -2.67 118.68 113.58 2hxj s LEU 46 Ca 0.71 3.04 0.00 0.00 0.69 0.00 0.00 54.13 58.58 2hxj s LEU 46 Cb -0.27 -3.67 0.00 0.00 -0.43 0.00 0.00 46.19 41.83 2hxj s LEU 46 CO 0.49 -0.87 0.00 0.61 -0.29 0.00 0.00 176.35 176.30 2hxj n GLY 47 N 0.47 0.51 0.27 7.98 0.00 -1.26 -4.93 105.19 108.23 2hxj n GLY 47 Ca 0.01 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.70 2hxj n GLY 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hxj h ILE 48 N 0.00 0.52 -0.56 -0.61 2.10 -1.88 -2.20 117.51 114.87 2hxj h ILE 48 Ca -0.03 -0.39 -0.01 0.00 1.08 0.00 0.00 64.86 65.51 2hxj h ILE 48 Cb 0.15 1.26 -0.03 0.00 -1.09 0.00 0.00 36.82 37.11 2hxj h ILE 48 CO 0.04 0.08 0.33 -2.24 -1.08 0.00 0.00 178.15 175.28 2hxj h ASP 49 N 0.00 0.68 0.65 2.19 -0.00 -1.91 -0.01 116.42 118.01 2hxj h ASP 49 Ca -0.00 -0.07 -0.11 0.00 -0.00 0.00 0.00 57.03 56.85 2hxj h ASP 49 Cb 0.25 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.40 2hxj h ASP 49 CO 0.01 0.55 -0.50 1.56 -0.00 0.00 0.00 179.24 180.86 2hxj h GLN 50 N 0.75 0.00 -0.12 4.15 1.08 -1.82 -1.51 115.11 117.64 2hxj h GLN 50 Ca 0.20 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.18 2hxj h GLN 50 Cb 0.01 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2hxj h GLN 50 CO -0.04 0.50 -0.78 -0.44 -0.95 0.00 0.00 178.83 177.12 2hxj h ASP 51 N 0.00 0.81 -0.35 1.46 3.32 -1.18 -2.24 116.42 118.23 2hxj h ASP 51 Ca -0.01 -0.54 -0.13 0.00 0.02 0.00 0.00 57.03 56.37 2hxj h ASP 51 Cb 0.96 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2hxj h ASP 51 CO 0.07 1.32 -0.30 -0.07 -1.72 0.00 0.00 179.24 178.53 2hxj h LEU 52 N 0.45 0.88 -0.52 1.55 3.38 -0.54 -1.18 115.31 119.33 2hxj h LEU 52 Ca -0.05 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 2hxj h LEU 52 Cb 1.40 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2hxj h LEU 52 CO 0.15 1.15 0.25 0.40 0.09 0.00 0.00 178.44 180.48 2hxj h ILE 53 N 0.62 1.20 -0.28 1.22 2.04 -1.33 0.81 117.51 121.79 2hxj h ILE 53 Ca 0.06 -0.56 -0.12 0.00 1.00 0.00 0.00 64.86 65.24 2hxj h ILE 53 Cb 0.88 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2hxj h ILE 53 CO 0.08 0.22 -0.33 0.00 0.00 0.00 0.00 178.15 178.12 2hxj h ALA 54 N 1.09 0.89 0.00 1.87 0.00 -1.36 -2.98 119.26 118.77 2hxj h ALA 54 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2hxj h ALA 54 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2hxj h ALA 54 CO -0.02 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2hxj h ALA 55 N 1.12 1.00 -2.17 0.00 0.00 -0.14 -3.37 119.26 115.71 2hxj h ALA 55 Ca 0.06 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.38 2hxj h ALA 55 Cb 0.82 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.20 2hxj h ALA 55 CO 0.07 0.00 -0.68 1.28 0.00 0.00 0.00 179.25 179.92 2hxj n LEU 56 N -2.86 3.25 0.00 0.00 4.77 0.18 -4.93 117.00 117.41 2hxj n LEU 56 Ca 0.04 -5.35 0.14 0.00 -0.03 0.00 0.00 56.01 50.82 2hxj n LEU 56 Cb 0.48 -0.45 0.75 0.00 -2.33 0.00 0.00 43.42 41.87 2hxj n LEU 56 CO 0.32 2.08 0.99 -0.81 -1.33 0.00 0.00 177.39 178.65 2hxj n PRO 57 N 0.85 0.56 -0.02 3.23 -0.04 -1.24 -2.57 135.00 135.76 2hxj n PRO 57 Ca 0.29 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2hxj n PRO 57 Cb 0.43 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 32.98 2hxj n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hxj n GLN 58 N -1.20 1.28 -4.15 0.54 0.00 -1.26 -4.84 117.38 107.75 2hxj n GLN 58 Ca 0.16 -0.41 -0.17 0.00 0.00 0.00 0.00 57.00 56.58 2hxj n GLN 58 Cb 0.18 -1.39 -0.12 0.00 0.00 0.00 0.00 30.24 28.92 2hxj n GLN 58 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2hxj s TYR 59 N -1.95 1.08 -0.02 2.61 2.02 -1.06 -5.06 117.35 114.97 2hxj s TYR 59 Ca 0.35 -0.49 -0.30 0.00 -0.37 0.00 0.00 57.07 56.26 2hxj s TYR 59 Cb 0.17 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 2hxj s TYR 59 CO 0.28 0.02 1.26 -0.51 -1.57 0.00 0.00 175.55 175.03 2hxj s ASP 60 N -1.77 7.00 0.52 2.29 1.01 -1.26 -4.92 116.67 119.54 2hxj s ASP 60 Ca -0.03 1.94 0.33 0.00 0.71 0.00 0.00 52.55 55.50 2hxj s ASP 60 Cb -0.09 -2.56 1.47 0.00 1.01 0.00 0.00 42.92 42.75 2hxj s ASP 60 CO 0.02 -0.60 1.83 0.00 0.21 0.00 0.00 175.17 176.63 2hxj h ALA 61 N 7.42 2.92 0.02 5.23 0.00 -1.95 0.45 119.26 133.35 2hxj h ALA 61 Ca -0.37 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 2hxj h ALA 61 Cb 1.18 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2hxj h ALA 61 CO 0.87 -1.24 -0.96 0.00 0.00 0.00 0.00 179.25 177.92 2hxj h ALA 62 N 1.48 0.38 0.00 0.00 0.00 -2.00 -2.54 119.26 116.58 2hxj h ALA 62 Ca 0.52 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2hxj h ALA 62 Cb 1.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2hxj h ALA 62 CO -0.04 0.87 -0.27 -0.07 0.00 0.00 0.00 179.25 179.74 2hxj h LEU 63 N 0.17 0.00 -0.04 0.00 3.38 -1.34 -2.61 115.31 114.87 2hxj h LEU 63 Ca -0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2hxj h LEU 63 Cb 1.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 2hxj h LEU 63 CO 0.16 0.03 -0.03 0.40 0.09 0.00 0.00 178.44 179.09 2hxj h ILE 64 N 0.00 1.36 -0.92 1.22 1.08 -1.27 -2.53 117.51 116.45 2hxj h ILE 64 Ca 0.00 -1.13 0.05 0.00 -0.39 0.00 0.00 64.86 63.40 2hxj h ILE 64 Cb 0.83 2.04 -0.06 0.00 -3.07 0.00 0.00 36.82 36.56 2hxj h ILE 64 CO 0.00 0.30 0.58 0.00 -0.69 0.00 0.00 178.15 178.35 2hxj h ALA 65 N 0.56 1.25 -0.48 1.87 0.00 -1.42 -0.48 119.26 120.55 2hxj h ALA 65 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2hxj h ALA 65 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2hxj h ALA 65 CO 0.01 0.38 -0.03 -0.09 0.00 0.00 0.00 179.25 179.51 2hxj h ARG 66 N 1.09 0.83 -0.36 0.00 2.43 -1.45 0.14 114.38 117.06 2hxj h ARG 66 Ca 0.39 -0.25 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 2hxj h ARG 66 Cb 0.12 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2hxj h ARG 66 CO -0.16 0.85 -0.42 0.28 -1.51 0.00 0.00 179.97 179.01 2hxj h VAL 67 N 0.76 1.27 -0.37 0.20 2.07 -0.87 -1.22 116.25 118.09 2hxj h VAL 67 Ca 0.14 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 2hxj h VAL 67 Cb 0.51 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2hxj h VAL 67 CO 0.03 0.53 0.17 0.25 0.02 0.00 0.00 177.57 178.57 2hxj h LEU 68 N 0.73 0.49 -1.27 2.57 5.85 -0.74 -0.37 115.31 122.58 2hxj h LEU 68 Ca 0.05 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 2hxj h LEU 68 Cb 1.02 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2hxj h LEU 68 CO 0.10 0.49 -0.14 0.00 -0.34 0.00 0.00 178.44 178.55 2hxj h ALA 69 N 1.02 1.39 -0.39 1.25 0.00 -0.63 0.93 119.26 122.83 2hxj h ALA 69 Ca 0.13 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2hxj h ALA 69 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2hxj h ALA 69 CO -0.01 0.42 -0.39 -0.91 0.00 0.00 0.00 179.25 178.36 2hxj h ASN 70 N 0.31 1.01 -0.29 0.00 2.35 -0.84 -2.94 115.58 115.18 2hxj h ASN 70 Ca 0.06 -0.46 -0.05 0.00 -0.55 0.00 0.00 56.30 55.30 2hxj h ASN 70 Cb 0.44 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2hxj h ASN 70 CO 0.03 1.27 -0.01 -0.74 -1.65 0.00 0.00 177.43 176.32 2hxj h HIS 71 N 0.77 0.58 0.00 1.19 2.76 -0.21 -3.03 115.15 117.22 2hxj h HIS 71 Ca 0.06 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2hxj h HIS 71 Cb 0.98 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.79 2hxj h HIS 71 CO 0.06 0.68 0.00 0.00 -1.30 0.00 0.00 177.93 177.37 2hxj n ARG 73 N -1.24 0.30 -2.39 0.00 1.85 -1.12 -4.63 116.66 109.42 2hxj n ARG 73 Ca 0.06 -0.89 -0.41 0.00 -1.00 0.00 0.00 57.85 55.61 2hxj n ARG 73 Cb 0.08 -1.13 -0.04 0.00 -1.05 0.00 0.00 32.46 30.33 2hxj n ARG 73 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2hxj s ARG 74 N -0.68 4.56 0.33 2.89 0.52 -1.06 -4.90 118.95 120.60 2hxj s ARG 74 Ca 0.08 1.89 0.10 0.00 -0.52 0.00 0.00 55.73 57.28 2hxj s ARG 74 Cb 0.06 -3.18 0.91 0.00 0.52 0.00 0.00 34.95 33.26 2hxj s ARG 74 CO 0.10 0.08 1.73 -1.35 0.02 0.00 0.00 175.30 175.88 2hxj h PRO 75 N 4.11 0.55 -0.37 3.54 0.11 -1.93 -1.43 132.00 136.58 2hxj h PRO 75 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2hxj h PRO 75 Cb 1.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2hxj h PRO 75 CO 0.69 0.36 0.20 -0.09 -0.21 0.00 0.00 178.00 178.94 2hxj h ARG 76 N 0.56 0.51 -0.02 1.05 2.43 -1.94 0.58 114.38 117.54 2hxj h ARG 76 Ca 0.65 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.60 2hxj h ARG 76 Cb 1.26 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2hxj h ARG 76 CO -0.47 0.38 -0.65 -0.92 -1.51 0.00 0.00 179.97 176.80 2hxj h TYR 77 N 0.51 0.71 -0.79 2.20 3.20 -1.54 -2.55 116.97 118.72 2hxj h TYR 77 Ca 0.13 -0.37 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 2hxj h TYR 77 Cb 0.03 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 2hxj h TYR 77 CO 0.00 1.18 0.35 -0.07 -1.64 0.00 0.00 178.16 177.99 2hxj h LEU 78 N 0.03 1.04 -1.14 2.82 4.07 -1.18 -0.61 115.31 120.34 2hxj h LEU 78 Ca -0.07 -0.13 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 2hxj h LEU 78 Cb 1.34 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 2hxj h LEU 78 CO 0.13 0.89 0.24 0.11 -1.08 0.00 0.00 178.44 178.74 2hxj h LYS 79 N 1.13 0.85 -0.09 1.13 1.57 -0.86 -0.28 116.57 120.02 2hxj h LYS 79 Ca 0.27 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 2hxj h LYS 79 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2hxj h LYS 79 CO -0.03 0.69 -0.57 0.00 -0.57 0.00 0.00 179.45 178.97 2hxj h ALA 80 N 1.43 0.88 0.00 3.86 0.00 -0.92 -0.75 119.26 123.76 2hxj h ALA 80 Ca 0.20 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2hxj h ALA 80 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2hxj h ALA 80 CO -0.02 0.70 -0.53 -0.07 0.00 0.00 0.00 179.25 179.34 2hxj h LEU 81 N 0.20 0.00 -0.88 0.00 3.38 -0.02 -2.30 115.31 115.69 2hxj h LEU 81 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2hxj h LEU 81 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2hxj h LEU 81 CO 0.09 0.53 -0.48 0.00 0.09 0.00 0.00 178.44 178.66 2hxj h ALA 82 N 1.47 1.01 -0.08 1.53 0.00 -0.48 -1.62 119.26 121.10 2hxj h ALA 82 Ca -0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2hxj h ALA 82 Cb 1.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2hxj h ALA 82 CO 0.07 0.60 -0.71 -0.09 0.00 0.00 0.00 179.25 179.12 2hxj h ARG 83 N 0.00 0.38 0.00 0.00 2.43 -0.75 -3.46 114.38 112.98 2hxj h ARG 83 Ca -0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2hxj h ARG 83 Cb 0.97 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2hxj h ARG 83 CO 0.06 0.94 0.00 0.41 -1.51 0.00 0.00 179.97 179.87 2hxj n GLY 84 N 0.52 -1.47 1.08 2.80 0.00 -0.61 -5.07 105.19 102.43 2hxj n GLY 84 Ca -0.04 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2hxj n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hxj n GLY 85 N 0.00 -1.38 3.80 -0.02 0.00 -1.26 -4.92 105.19 101.41 2hxj n GLY 85 Ca 0.00 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2hxj n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hxj s LYS 86 N 0.00 3.26 0.08 1.61 -0.14 -1.26 -0.97 119.74 122.32 2hxj s LYS 86 Ca 0.00 1.23 0.01 0.00 -1.36 0.00 0.00 55.97 55.85 2hxj s LYS 86 Cb 0.00 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 2hxj s LYS 86 CO 0.00 -0.86 0.18 1.03 -0.76 0.00 0.00 175.35 174.94 2hxj s ARG 87 N -4.07 3.27 0.09 1.68 0.52 -0.83 -4.44 118.95 115.16 2hxj s ARG 87 Ca 0.64 -0.55 0.09 0.00 -0.52 0.00 0.00 55.73 55.39 2hxj s ARG 87 Cb -0.17 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 2hxj s ARG 87 CO 0.37 0.58 -0.24 -0.06 0.02 0.00 0.00 175.30 175.97 2hxj s PHE 88 N -1.52 2.06 1.02 -0.53 0.08 0.43 0.21 117.98 119.74 2hxj s PHE 88 Ca 0.33 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 2hxj s PHE 88 Cb -0.12 -1.16 0.21 0.00 -0.57 0.00 0.00 43.02 41.37 2hxj s PHE 88 CO 0.26 0.22 1.19 -0.51 -0.10 0.00 0.00 175.22 176.28 2hxj s ASP 89 N -1.71 2.55 0.53 1.36 1.01 -0.52 -1.36 116.67 118.53 2hxj s ASP 89 Ca 0.10 0.62 0.32 0.00 0.71 0.00 0.00 52.55 54.30 2hxj s ASP 89 Cb -0.10 -0.91 1.20 0.00 1.01 0.00 0.00 42.92 44.12 2hxj s ASP 89 CO 0.04 -3.11 1.92 -0.07 0.21 0.00 0.00 175.17 174.16 2hxj h LEU 90 N -1.89 0.00 -2.13 1.23 3.38 -1.98 -1.84 115.31 112.08 2hxj h LEU 90 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2hxj h LEU 90 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2hxj h LEU 90 CO 0.45 0.01 0.00 0.59 0.09 0.00 0.00 178.44 179.58 2hxj n ASN 91 N -3.11 3.17 -2.59 -0.43 3.02 -1.26 -4.81 115.26 109.25 2hxj n ASN 91 Ca 0.01 -2.20 -0.21 0.00 -0.03 0.00 0.00 54.58 52.15 2hxj n ASN 91 Cb 0.34 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2hxj n ASN 91 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2hxj n ASN 92 N 0.79 -5.83 -4.65 6.41 4.05 -0.69 -5.01 115.26 110.34 2hxj n ASN 92 Ca 0.17 -0.09 -0.30 0.00 0.45 0.00 0.00 54.58 54.82 2hxj n ASN 92 Cb 0.57 -4.81 -0.09 0.00 1.23 0.00 0.00 39.78 36.69 2hxj n ASN 92 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2hxj s ARG 93 N -5.25 2.42 0.10 1.20 0.52 -1.26 -4.86 118.95 111.81 2hxj s ARG 93 Ca 0.09 -0.89 -0.34 0.00 -0.52 0.00 0.00 55.73 54.07 2hxj s ARG 93 Cb -0.04 -2.47 -0.14 0.00 0.52 0.00 0.00 34.95 32.82 2hxj s ARG 93 CO 0.11 0.53 1.61 1.19 0.02 0.00 0.00 175.30 178.77 2hxj n PHE 94 N 0.66 2.19 -3.15 -0.53 3.72 -1.26 -1.44 117.46 117.65 2hxj n PHE 94 Ca -0.12 0.27 -0.07 0.00 -0.05 0.00 0.00 57.45 57.48 2hxj n PHE 94 Cb 0.52 -2.54 -0.03 0.00 -0.94 0.00 0.00 39.48 36.49 2hxj n PHE 94 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2hxj s LYS 95 N 1.49 0.84 0.93 -1.08 2.20 0.13 -4.81 119.74 119.45 2hxj s LYS 95 Ca 0.82 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 2hxj s LYS 95 Cb -0.72 -0.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.33 2hxj s LYS 95 CO 0.42 -1.24 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 2hxj n GLY 96 N 3.89 -1.76 3.71 5.54 0.00 -1.26 -4.35 105.19 110.96 2hxj n GLY 96 Ca 0.14 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 2hxj n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hxj s GLU 97 N 0.00 1.68 -0.24 1.61 -1.05 -1.26 -1.97 118.70 117.47 2hxj s GLU 97 Ca 0.00 -1.16 -0.25 0.00 -0.15 0.00 0.00 54.97 53.41 2hxj s GLU 97 Cb 0.00 0.53 -0.00 0.00 -0.44 0.00 0.00 34.13 34.22 2hxj s GLU 97 CO 0.00 -0.73 0.84 0.08 0.95 0.00 0.00 175.26 176.40 2hxj s VAL 98 N -3.89 4.83 0.84 1.83 1.01 -0.14 -4.75 120.40 120.12 2hxj s VAL 98 Ca 0.18 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.65 2hxj s VAL 98 Cb -0.03 -4.13 0.10 0.00 0.00 0.00 0.00 36.38 32.32 2hxj s VAL 98 CO 0.09 -0.08 1.09 0.42 0.00 0.00 0.00 175.10 176.62 2hxj s THR 99 N 2.84 2.95 0.37 3.92 -4.23 -1.26 -4.51 115.64 115.72 2hxj s THR 99 Ca 0.36 0.31 0.09 0.00 -1.18 0.00 0.00 61.69 61.26 2hxj s THR 99 Cb -0.15 -2.78 0.14 0.00 1.34 0.00 0.00 72.50 71.04 2hxj s THR 99 CO 0.07 -0.40 1.89 -0.65 -0.54 0.00 0.00 174.62 174.99 2hxj h PRO 100 N -1.37 0.25 -0.07 3.99 0.11 -1.99 -1.90 132.00 131.01 2hxj h PRO 100 Ca -0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2hxj h PRO 100 Cb 1.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2hxj h PRO 100 CO 0.53 0.41 0.01 1.49 -0.21 0.00 0.00 178.00 180.23 2hxj h GLU 101 N 0.23 0.11 -0.93 1.05 4.81 -2.00 -0.57 114.58 117.29 2hxj h GLU 101 Ca 0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2hxj h GLU 101 Cb 0.43 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2hxj h GLU 101 CO 0.03 0.34 0.56 0.93 -0.73 0.00 0.00 179.01 180.13 2hxj h GLU 102 N -0.13 1.27 -0.39 1.92 5.08 -1.90 -1.53 114.58 118.90 2hxj h GLU 102 Ca 0.02 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2hxj h GLU 102 Cb 0.28 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2hxj h GLU 102 CO 0.00 0.89 0.16 0.37 -1.00 0.00 0.00 179.01 179.44 2hxj h GLN 103 N 1.29 0.57 -0.32 2.33 4.15 -1.12 -1.33 115.11 120.68 2hxj h GLN 103 Ca 0.33 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 2hxj h GLN 103 Cb -0.05 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 2hxj h GLN 103 CO -0.06 0.54 -0.09 0.00 -1.93 0.00 0.00 178.83 177.28 2hxj h ALA 104 N 1.01 1.25 -0.47 3.38 0.00 -0.72 0.06 119.26 123.76 2hxj h ALA 104 Ca 0.13 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2hxj h ALA 104 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2hxj h ALA 104 CO -0.01 0.49 -0.22 0.82 0.00 0.00 0.00 179.25 180.33 2hxj h ILE 105 N 0.50 1.27 -0.14 0.00 2.04 -0.91 -2.33 117.51 117.94 2hxj h ILE 105 Ca 0.10 -1.38 -0.13 0.00 1.00 0.00 0.00 64.86 64.45 2hxj h ILE 105 Cb 0.46 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2hxj h ILE 105 CO 0.03 0.48 -0.47 0.00 0.00 0.00 0.00 178.15 178.18 2hxj h ALA 106 N 0.91 0.94 -0.19 1.87 0.00 -0.98 -2.62 119.26 119.18 2hxj h ALA 106 Ca 0.11 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2hxj h ALA 106 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2hxj h ALA 106 CO 0.07 0.65 -0.32 1.96 0.00 0.00 0.00 179.25 181.60 2hxj h GLN 107 N 0.28 0.39 -0.01 0.00 4.20 -0.68 -2.68 115.11 116.60 2hxj h GLN 107 Ca 0.02 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2hxj h GLN 107 Cb 0.94 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2hxj h GLN 107 CO 0.08 0.67 -0.14 0.09 -0.67 0.00 0.00 178.83 178.86 2hxj n ASN 108 N -4.09 1.32 -4.74 1.46 3.02 -0.90 -4.55 115.26 106.79 2hxj n ASN 108 Ca -0.01 -1.21 -0.41 0.00 -0.03 0.00 0.00 54.58 52.92 2hxj n ASN 108 Cb 0.44 0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 2hxj n ASN 108 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2hxj s HIS 109 N -2.26 3.06 0.25 3.10 2.46 -1.00 -4.88 115.29 116.03 2hxj s HIS 109 Ca 0.30 1.00 -0.03 0.00 0.47 0.00 0.00 55.06 56.80 2hxj s HIS 109 Cb 0.20 -3.80 0.49 0.00 -0.13 0.00 0.00 32.58 29.34 2hxj s HIS 109 CO 0.43 -2.66 1.75 -1.35 -2.47 0.00 0.00 174.74 170.44 2hxj h PRO 110 N 5.36 0.52 0.00 2.88 0.11 -1.91 -1.24 132.00 137.72 2hxj h PRO 110 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2hxj h PRO 110 Cb 1.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2hxj h PRO 110 CO 0.80 0.34 -0.23 0.74 -0.21 0.00 0.00 178.00 179.44 2hxj h PHE 111 N 0.53 0.00 0.01 0.65 -1.00 -1.94 -1.51 116.94 113.67 2hxj h PHE 111 Ca 0.43 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 61.07 2hxj h PHE 111 Cb 0.63 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.20 2hxj h PHE 111 CO -0.13 0.23 -0.57 0.28 -1.61 0.00 0.00 178.31 176.52 2hxj h VAL 112 N 0.00 1.45 -0.85 -0.55 2.07 -1.65 0.17 116.25 116.89 2hxj h VAL 112 Ca -0.00 -2.09 0.08 0.00 0.82 0.00 0.00 66.70 65.51 2hxj h VAL 112 Cb 0.41 2.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 2hxj h VAL 112 CO 0.03 0.60 0.55 1.56 0.02 0.00 0.00 177.57 180.34 2hxj h GLN 113 N -0.17 0.85 0.32 1.57 1.08 -0.78 -0.79 115.11 117.18 2hxj h GLN 113 Ca -0.07 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 2hxj h GLN 113 Cb 1.29 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 2hxj h GLN 113 CO 0.11 0.56 -0.15 0.37 -0.95 0.00 0.00 178.83 178.77 2hxj h GLN 114 N 0.87 -0.41 -0.49 1.46 4.15 -1.25 -2.73 115.11 116.71 2hxj h GLN 114 Ca 0.38 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.97 2hxj h GLN 114 Cb 0.34 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2hxj h GLN 114 CO -0.15 -0.14 0.39 0.00 -1.93 0.00 0.00 178.83 177.01 2hxj h ALA 115 N -0.79 2.36 0.01 3.38 0.00 -0.24 -2.90 119.26 121.08 2hxj h ALA 115 Ca -0.04 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.49 2hxj h ALA 115 Cb 0.47 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2hxj h ALA 115 CO 0.07 -0.65 -1.97 1.28 0.00 0.00 0.00 179.25 177.99 2hxj n LEU 116 N -4.16 2.08 -4.55 0.00 4.32 -0.34 -4.91 117.00 109.44 2hxj n LEU 116 Ca 0.09 0.32 -0.40 0.00 -0.02 0.00 0.00 56.01 55.99 2hxj n LEU 116 Cb 0.60 -0.92 -0.03 0.00 -1.62 0.00 0.00 43.42 41.45 2hxj n LEU 116 CO 0.34 0.52 1.26 -1.58 -1.22 0.00 0.00 177.39 176.71 2hxj s GLN 117 N -2.46 3.07 0.00 3.23 -0.44 -1.03 -5.11 119.66 116.93 2hxj s GLN 117 Ca -0.33 -0.06 0.00 0.00 -2.50 0.00 0.00 55.36 52.48 2hxj s GLN 117 Cb 0.10 -4.22 0.00 0.00 -1.64 0.00 0.00 33.01 27.25 2hxj s GLN 117 CO 0.57 -2.27 0.00 0.00 0.50 0.00 0.00 175.29 174.09