#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq5 s VAL 2 N 0.00 3.42 -0.16 1.55 -7.23 -1.26 -4.99 120.40 111.72 1xq5 s VAL 2 Ca 0.00 -0.49 -0.09 0.00 -1.81 0.00 0.00 61.98 59.60 1xq5 s VAL 2 Cb 0.00 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 1xq5 s VAL 2 CO 0.00 0.43 0.13 0.26 -0.31 0.00 0.00 175.10 175.62 1xq5 s TRP 3 N 1.29 3.49 0.88 2.82 0.52 -1.26 -5.09 118.94 121.59 1xq5 s TRP 3 Ca 0.04 0.41 -0.12 0.00 0.02 0.00 0.00 56.10 56.45 1xq5 s TRP 3 Cb -0.14 -2.06 0.12 0.00 -1.15 0.00 0.00 33.47 30.24 1xq5 s TRP 3 CO -0.02 0.49 1.10 0.95 0.02 0.00 0.00 176.95 179.50 1xq5 s THR 4 N -0.28 2.58 0.15 2.01 -4.23 -1.26 -4.90 115.64 109.71 1xq5 s THR 4 Ca 0.11 0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 60.66 1xq5 s THR 4 Cb -0.11 -2.82 0.03 0.00 1.34 0.00 0.00 72.50 70.94 1xq5 s THR 4 CO 0.01 -0.24 1.75 0.44 -0.54 0.00 0.00 174.62 176.04 1xq5 h ASP 5 N -1.43 0.60 -0.82 3.99 3.45 -2.00 -2.40 116.42 117.82 1xq5 h ASP 5 Ca -0.50 -0.10 0.01 0.00 0.43 0.00 0.00 57.03 56.87 1xq5 h ASP 5 Cb 1.30 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.87 1xq5 h ASP 5 CO 0.58 0.53 0.54 0.15 -1.57 0.00 0.00 179.24 179.47 1xq5 h PHE 6 N 0.62 1.03 -0.15 4.55 3.04 -1.99 -1.81 116.94 122.23 1xq5 h PHE 6 Ca 0.16 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1xq5 h PHE 6 Cb 0.07 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.23 1xq5 h PHE 6 CO -0.02 0.64 0.10 0.93 -2.02 0.00 0.00 178.31 177.95 1xq5 h GLU 7 N 1.11 0.20 -0.39 1.11 5.08 -1.89 0.61 114.58 120.41 1xq5 h GLU 7 Ca 0.30 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1xq5 h GLU 7 Cb -0.12 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1xq5 h GLU 7 CO -0.07 0.14 0.25 0.00 -1.00 0.00 0.00 179.01 178.33 1xq5 h ARG 8 N 0.21 0.49 -0.17 2.33 3.08 -1.23 -1.34 114.38 117.75 1xq5 h ARG 8 Ca 0.06 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xq5 h ARG 8 Cb -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1xq5 h ARG 8 CO -0.01 0.32 0.10 0.00 -1.07 0.00 0.00 179.97 179.31 1xq5 h ALA 9 N 1.15 0.21 -0.22 0.04 0.00 -1.30 -1.64 119.26 117.51 1xq5 h ALA 9 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xq5 h ALA 9 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xq5 h ALA 9 CO -0.04 -0.27 0.13 1.15 0.00 0.00 0.00 179.25 180.21 1xq5 h THR 10 N 0.19 1.10 -0.30 0.00 2.02 -0.73 0.41 112.91 115.60 1xq5 h THR 10 Ca 0.06 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1xq5 h THR 10 Cb 0.04 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1xq5 h THR 10 CO -0.01 0.10 0.09 0.40 0.37 0.00 0.00 175.52 176.47 1xq5 h ILE 11 N 0.26 1.20 -0.87 3.11 1.08 -1.19 0.80 117.51 121.90 1xq5 h ILE 11 Ca 0.08 -0.65 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 1xq5 h ILE 11 Cb 0.05 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1xq5 h ILE 11 CO -0.01 0.22 0.47 0.00 -0.69 0.00 0.00 178.15 178.13 1xq5 h ALA 12 N 0.93 1.18 -0.42 1.87 0.00 -1.21 -1.92 119.26 119.68 1xq5 h ALA 12 Ca 0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1xq5 h ALA 12 Cb 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xq5 h ALA 12 CO -0.00 0.65 -0.13 0.22 0.00 0.00 0.00 179.25 179.99 1xq5 h ASP 13 N 1.22 0.85 0.42 0.00 3.58 -0.56 -0.89 116.42 121.04 1xq5 h ASP 13 Ca 0.31 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1xq5 h ASP 13 Cb 0.04 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1xq5 h ASP 13 CO -0.05 1.03 -0.31 0.40 -2.88 0.00 0.00 179.24 177.43 1xq5 h ILE 14 N 0.66 0.36 -0.24 2.25 2.04 -0.65 -2.84 117.51 119.09 1xq5 h ILE 14 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 1xq5 h ILE 14 Cb 0.67 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1xq5 h ILE 14 CO 0.05 0.00 0.02 -0.26 0.00 0.00 0.00 178.15 177.96 1xq5 h PHE 15 N -0.72 0.34 -0.04 1.37 -1.00 -1.12 0.26 116.94 116.03 1xq5 h PHE 15 Ca -0.04 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.73 1xq5 h PHE 15 Cb 0.61 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 1xq5 h PHE 15 CO -0.13 0.34 0.04 0.66 -1.61 0.00 0.00 178.31 177.61 1xq5 h SER 16 N 0.34 0.00 0.68 2.17 4.64 -1.07 -2.77 113.55 117.53 1xq5 h SER 16 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1xq5 h SER 16 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1xq5 h SER 16 CO 0.00 0.00 -1.03 0.29 -0.87 0.00 0.00 176.83 175.22 1xq5 n LYS 17 N -3.88 0.44 -3.18 4.77 5.02 0.06 -4.93 118.16 116.47 1xq5 n LYS 17 Ca -0.02 0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 1xq5 n LYS 17 Cb 0.13 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.40 1xq5 n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xq5 s LEU 18 N -4.56 4.24 -0.28 -0.35 1.43 -1.05 -5.03 118.68 113.09 1xq5 s LEU 18 Ca 0.02 0.92 -0.29 0.00 -1.03 0.00 0.00 54.13 53.74 1xq5 s LEU 18 Cb 0.12 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1xq5 s LEU 18 CO 0.79 -0.12 1.21 -0.62 0.23 0.00 0.00 176.35 177.84 1xq5 s ASP 19 N 0.87 6.83 0.23 2.29 -1.08 -1.26 -4.91 116.67 119.64 1xq5 s ASP 19 Ca 0.30 1.25 -0.05 0.00 -0.52 0.00 0.00 52.55 53.52 1xq5 s ASP 19 Cb -0.16 -2.54 0.22 0.00 -1.46 0.00 0.00 42.92 38.98 1xq5 s ASP 19 CO 0.12 -0.94 1.74 1.88 0.52 0.00 0.00 175.17 178.50 1xq5 h TYR 20 N 8.60 1.04 0.38 -5.34 0.99 -1.95 -0.75 116.97 119.94 1xq5 h TYR 20 Ca -0.24 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.35 1xq5 h TYR 20 Cb 1.08 -0.29 0.00 0.00 1.00 0.00 0.00 36.73 38.52 1xq5 h TYR 20 CO 0.84 0.88 -0.18 1.49 -0.00 0.00 0.00 178.16 181.19 1xq5 h GLU 21 N 0.94 -0.49 -0.19 4.88 4.81 -1.91 0.26 114.58 122.89 1xq5 h GLU 21 Ca 0.19 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1xq5 h GLU 21 Cb 0.39 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1xq5 h GLU 21 CO 0.01 -0.20 0.11 0.00 -0.73 0.00 0.00 179.01 178.20 1xq5 h ALA 22 N -0.24 0.24 -0.41 2.92 0.00 -1.93 -1.58 119.26 118.25 1xq5 h ALA 22 Ca -0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1xq5 h ALA 22 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xq5 h ALA 22 CO 0.08 -0.24 -0.22 0.28 0.00 0.00 0.00 179.25 179.15 1xq5 h VAL 23 N 0.21 1.28 -0.55 0.00 2.07 -1.18 -1.80 116.25 116.28 1xq5 h VAL 23 Ca 0.07 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1xq5 h VAL 23 Cb 0.04 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1xq5 h VAL 23 CO -0.01 0.46 0.29 1.23 0.02 0.00 0.00 177.57 179.55 1xq5 h GLY 24 N 0.69 0.84 1.27 2.17 0.00 -0.44 0.16 103.07 107.77 1xq5 h GLY 24 Ca 0.09 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 1xq5 h GLY 24 CO 0.06 0.38 -0.49 -1.33 0.00 0.00 0.00 176.54 175.17 1xq5 h GLY 25 N 0.74 0.85 0.94 4.60 0.00 -1.26 -0.33 103.07 108.60 1xq5 h GLY 25 Ca 0.19 -0.94 -0.11 0.00 0.00 0.00 0.00 47.33 46.48 1xq5 h GLY 25 CO -0.03 0.84 -0.25 0.00 0.00 0.00 0.00 176.54 177.10 1xq5 h ALA 26 N 0.83 0.40 0.13 3.60 0.00 -1.11 -1.29 119.26 121.82 1xq5 h ALA 26 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xq5 h ALA 26 Cb 1.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xq5 h ALA 26 CO 0.11 0.39 -0.11 1.15 0.00 0.00 0.00 179.25 180.78 1xq5 h THR 27 N 0.39 0.74 -0.53 0.00 2.02 -0.36 -0.98 112.91 114.19 1xq5 h THR 27 Ca 0.05 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 1xq5 h THR 27 Cb 0.81 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1xq5 h THR 27 CO 0.06 0.00 -0.10 0.25 0.37 0.00 0.00 175.52 176.10 1xq5 h LEU 28 N -0.26 1.00 -0.39 2.58 5.85 -1.07 -0.81 115.31 122.22 1xq5 h LEU 28 Ca 0.00 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.38 1xq5 h LEU 28 Cb 0.24 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1xq5 h LEU 28 CO -0.02 1.12 0.24 0.00 -0.34 0.00 0.00 178.44 179.43 1xq5 h ALA 29 N 0.92 0.49 -0.41 1.25 0.00 -1.15 -0.81 119.26 119.55 1xq5 h ALA 29 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xq5 h ALA 29 Cb 0.67 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1xq5 h ALA 29 CO 0.05 -0.09 0.19 -0.09 0.00 0.00 0.00 179.25 179.30 1xq5 h ARG 30 N 0.48 0.59 -0.30 0.00 9.65 -0.85 -1.92 114.38 122.04 1xq5 h ARG 30 Ca 0.15 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 58.97 1xq5 h ARG 30 Cb -0.02 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 1xq5 h ARG 30 CO -0.06 0.53 0.08 0.00 2.80 0.00 0.00 179.97 183.32 1xq5 h LEU 32 N 0.20 0.00 0.03 0.00 3.38 -0.77 -0.27 115.31 117.88 1xq5 h LEU 32 Ca 0.14 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 1xq5 h LEU 32 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1xq5 h LEU 32 CO -0.16 0.02 -1.87 -0.38 0.09 0.00 0.00 178.44 176.14 1xq5 n ILE 33 N -3.23 1.59 0.08 1.22 5.41 -0.76 -3.77 119.36 119.91 1xq5 n ILE 33 Ca -0.02 -0.33 -0.05 0.00 1.00 0.00 0.00 62.75 63.35 1xq5 n ILE 33 Cb 0.17 -1.86 -0.04 0.00 -0.71 0.00 0.00 39.64 37.20 1xq5 n ILE 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1xq5 h VAL 34 N -0.60 1.64 -2.09 1.39 2.07 -0.79 -3.35 116.25 114.51 1xq5 h VAL 34 Ca -0.47 -3.08 -0.58 0.00 0.82 0.00 0.00 66.70 63.39 1xq5 h VAL 34 Cb 1.63 2.66 -0.40 0.00 -1.52 0.00 0.00 31.29 33.66 1xq5 h VAL 34 CO -0.17 0.88 -0.87 -1.22 0.02 0.00 0.00 177.57 176.21 1xq5 n TYR 35 N -3.47 1.46 0.31 1.57 4.01 -0.12 -5.00 117.16 115.93 1xq5 n TYR 35 Ca -0.00 -3.83 0.20 0.00 -0.16 0.00 0.00 57.90 54.11 1xq5 n TYR 35 Cb 0.85 -0.44 1.07 0.00 -0.31 0.00 0.00 39.34 40.51 1xq5 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xq5 h PRO 36 N 4.09 0.00 0.00 -0.72 0.11 -1.71 -1.45 132.00 132.32 1xq5 h PRO 36 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1xq5 h PRO 36 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1xq5 h PRO 36 CO 0.63 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.75 1xq5 n TRP 37 N -2.93 0.36 0.22 0.65 2.14 -1.26 -1.33 117.44 115.28 1xq5 n TRP 37 Ca -0.02 0.15 0.12 0.00 2.07 0.00 0.00 57.50 59.81 1xq5 n TRP 37 Cb 0.08 -0.74 0.21 0.00 -0.81 0.00 0.00 31.31 30.05 1xq5 n TRP 37 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xq5 h THR 38 N 0.00 0.08 -0.76 -1.67 1.03 -1.59 -2.90 112.91 107.10 1xq5 h THR 38 Ca 0.00 -1.05 0.19 0.00 -0.01 0.00 0.00 66.41 65.53 1xq5 h THR 38 Cb 0.23 1.99 -0.04 0.00 -1.07 0.00 0.00 68.15 69.25 1xq5 h THR 38 CO 0.00 0.04 0.52 1.56 -0.01 0.00 0.00 175.52 177.64 1xq5 h GLN 39 N 0.00 0.22 -0.09 0.00 4.20 -1.40 -2.70 115.11 115.34 1xq5 h GLN 39 Ca -0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1xq5 h GLN 39 Cb 0.98 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1xq5 h GLN 39 CO 0.01 0.14 -0.00 0.07 -0.67 0.00 0.00 178.83 178.38 1xq5 h ARG 40 N 0.22 0.12 0.00 1.46 0.11 -1.72 -0.19 114.38 114.38 1xq5 h ARG 40 Ca 0.38 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.43 1xq5 h ARG 40 Cb 1.14 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 1xq5 h ARG 40 CO -0.08 0.14 -0.06 1.88 0.10 0.00 0.00 179.97 181.94 1xq5 h TYR 41 N 0.12 0.00 -1.38 4.08 0.05 -1.71 -3.06 116.97 115.07 1xq5 h TYR 41 Ca 0.03 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.18 1xq5 h TYR 41 Cb 0.09 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 37.46 1xq5 h TYR 41 CO 0.00 0.06 -0.16 1.19 -1.05 0.00 0.00 178.16 178.21 1xq5 n PHE 42 N -3.23 3.14 -0.07 4.88 3.72 -0.08 -4.84 117.46 120.97 1xq5 n PHE 42 Ca -0.00 -2.72 0.25 0.00 -0.05 0.00 0.00 57.45 54.92 1xq5 n PHE 42 Cb 0.29 -0.56 0.72 0.00 -0.94 0.00 0.00 39.48 38.99 1xq5 n PHE 42 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1xq5 h GLY 43 N 2.50 0.00 -5.77 1.37 0.00 -1.59 -2.94 103.07 96.64 1xq5 h GLY 43 Ca 0.41 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.98 1xq5 h GLY 43 CO 1.05 0.00 0.75 0.70 0.00 0.00 0.00 176.54 179.04 1xq5 n ASN 44 N -4.11 6.92 -0.01 0.19 5.03 -1.26 -4.59 115.26 117.43 1xq5 n ASN 44 Ca 0.14 -3.72 -0.02 0.00 0.87 0.00 0.00 54.58 51.84 1xq5 n ASN 44 Cb 0.80 -1.04 -0.01 0.00 -1.02 0.00 0.00 39.78 38.52 1xq5 n ASN 44 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1xq5 n PHE 45 N -0.21 0.00 0.00 3.10 3.01 -1.11 -5.10 117.46 117.15 1xq5 n PHE 45 Ca 0.46 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.92 1xq5 n PHE 45 Cb 0.29 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1xq5 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xq5 n GLY 46 N 2.89 -0.63 3.64 1.37 0.00 -1.26 -4.70 105.19 106.48 1xq5 n GLY 46 Ca -0.04 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1xq5 n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xq5 s ASN 47 N -4.00 6.87 -0.06 1.61 0.02 -1.26 -4.88 114.94 113.24 1xq5 s ASN 47 Ca 0.00 1.06 0.07 0.00 -1.02 0.00 0.00 52.86 52.97 1xq5 s ASN 47 Cb 0.00 -2.54 0.29 0.00 0.02 0.00 0.00 41.25 39.01 1xq5 s ASN 47 CO 0.00 -0.94 1.06 0.00 0.02 0.00 0.00 177.10 177.25 1xq5 n LEU 48 N 7.06 2.30 0.00 0.60 -0.00 -1.26 -4.55 117.00 121.14 1xq5 n LEU 48 Ca 0.13 -1.16 0.00 0.00 -0.00 0.00 0.00 56.01 54.98 1xq5 n LEU 48 Cb 0.47 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1xq5 n LEU 48 CO 0.61 0.39 0.00 -1.22 -0.00 0.00 0.00 177.39 177.16 1xq5 n TYR 49 N 0.27 0.00 -0.67 1.47 4.01 -1.26 -5.05 117.16 115.93 1xq5 n TYR 49 Ca 0.10 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.52 1xq5 n TYR 49 Cb 0.47 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.67 1xq5 n TYR 49 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xq5 n ASN 50 N 0.00 -1.98 0.26 7.72 2.85 -1.26 -4.77 115.26 118.07 1xq5 n ASN 50 Ca 0.00 0.03 0.08 0.00 -0.11 0.00 0.00 54.58 54.58 1xq5 n ASN 50 Cb 0.00 -1.12 0.64 0.00 1.24 0.00 0.00 39.78 40.55 1xq5 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xq5 h ALA 51 N -2.05 1.87 -0.10 5.20 0.00 -1.98 -2.42 119.26 119.79 1xq5 h ALA 51 Ca -0.52 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1xq5 h ALA 51 Cb 1.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1xq5 h ALA 51 CO 0.39 0.05 -0.34 0.00 0.00 0.00 0.00 179.25 179.36 1xq5 h ALA 52 N 1.96 1.25 -0.25 0.00 0.00 -1.98 -0.12 119.26 120.12 1xq5 h ALA 52 Ca -0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1xq5 h ALA 52 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xq5 h ALA 52 CO 0.01 0.51 -0.46 0.00 0.00 0.00 0.00 179.25 179.30 1xq5 h ALA 53 N 1.49 0.72 -0.09 0.00 0.00 -1.76 -2.30 119.26 117.32 1xq5 h ALA 53 Ca 0.02 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1xq5 h ALA 53 Cb 0.68 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xq5 h ALA 53 CO 0.05 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.76 1xq5 h ILE 54 N 0.52 1.30 -0.63 0.00 2.04 -1.29 -2.57 117.51 116.88 1xq5 h ILE 54 Ca 0.03 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 64.97 1xq5 h ILE 54 Cb 1.00 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1xq5 h ILE 54 CO 0.09 0.27 0.42 0.24 0.00 0.00 0.00 178.15 179.18 1xq5 h MET 55 N -0.17 0.67 -0.02 2.37 2.86 -1.02 -2.52 114.93 117.10 1xq5 h MET 55 Ca 0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1xq5 h MET 55 Cb 0.44 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1xq5 h MET 55 CO 0.01 0.45 -0.04 0.41 1.06 0.00 0.00 176.91 178.79 1xq5 n GLY 56 N -1.46 0.42 3.66 8.32 0.00 -0.87 -4.95 105.19 110.31 1xq5 n GLY 56 Ca 0.08 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1xq5 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xq5 s ASN 57 N -2.06 6.70 0.23 1.61 3.84 -0.95 -4.89 114.94 119.42 1xq5 s ASN 57 Ca 0.32 1.98 0.02 0.00 0.21 0.00 0.00 52.86 55.39 1xq5 s ASN 57 Cb 0.20 -2.53 0.23 0.00 -0.55 0.00 0.00 41.25 38.60 1xq5 s ASN 57 CO 0.34 -0.93 1.56 1.55 -2.79 0.00 0.00 177.10 176.83 1xq5 h PRO 58 N 9.35 0.37 -0.66 0.43 0.13 -1.90 -1.66 132.00 138.06 1xq5 h PRO 58 Ca -0.35 -0.23 -0.09 0.00 -0.87 0.00 0.00 66.00 64.47 1xq5 h PRO 58 Cb 1.15 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1xq5 h PRO 58 CO 0.97 0.82 0.07 0.52 -0.23 0.00 0.00 178.00 180.15 1xq5 h MET 59 N 0.29 1.11 -0.06 0.86 2.86 -1.90 -0.81 114.93 117.28 1xq5 h MET 59 Ca 0.01 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1xq5 h MET 59 Cb 1.05 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 1xq5 h MET 59 CO 0.09 1.04 0.03 0.82 1.06 0.00 0.00 176.91 179.95 1xq5 h ILE 60 N 1.03 1.11 -0.41 -1.22 2.04 -1.86 -1.12 117.51 117.08 1xq5 h ILE 60 Ca 0.20 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.80 1xq5 h ILE 60 Cb 0.49 1.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.69 1xq5 h ILE 60 CO 0.02 0.09 -0.44 0.00 0.00 0.00 0.00 178.15 177.82 1xq5 h ALA 61 N 0.90 -0.47 -0.31 1.87 0.00 -1.14 0.69 119.26 120.80 1xq5 h ALA 61 Ca 0.02 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1xq5 h ALA 61 Cb 0.12 0.92 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1xq5 h ALA 61 CO -0.00 -0.89 -0.12 -0.22 0.00 0.00 0.00 179.25 178.02 1xq5 h LYS 62 N -0.34 -0.06 -0.33 0.00 3.64 -1.04 -1.47 116.57 116.98 1xq5 h LYS 62 Ca 0.13 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 1xq5 h LYS 62 Cb 0.59 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1xq5 h LYS 62 CO -0.58 -0.04 -0.37 1.25 -2.27 0.00 0.00 179.45 177.44 1xq5 h HIS 63 N -0.07 0.90 -0.77 1.91 2.76 -0.91 -1.98 115.15 116.99 1xq5 h HIS 63 Ca 0.16 -0.26 0.13 0.00 -2.20 0.00 0.00 60.37 58.20 1xq5 h HIS 63 Cb 0.30 -0.19 -0.09 0.00 1.55 0.00 0.00 27.41 28.98 1xq5 h HIS 63 CO -0.33 1.02 0.36 0.78 -1.30 0.00 0.00 177.93 178.45 1xq5 h GLY 64 N 0.93 1.19 1.01 5.26 0.00 -0.67 -1.59 103.07 109.19 1xq5 h GLY 64 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1xq5 h GLY 64 CO 0.08 -0.02 0.56 -0.84 0.00 0.00 0.00 176.54 176.32 1xq5 h THR 65 N 0.55 1.24 -0.65 4.70 2.02 -0.79 -2.84 112.91 117.14 1xq5 h THR 65 Ca 0.41 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1xq5 h THR 65 Cb 0.54 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1xq5 h THR 65 CO -0.34 0.24 0.24 0.74 0.37 0.00 0.00 175.52 176.77 1xq5 h THR 66 N 1.22 1.24 -0.20 3.16 2.02 -0.63 -1.21 112.91 118.50 1xq5 h THR 66 Ca 0.32 -0.78 0.03 0.00 0.77 0.00 0.00 66.41 66.75 1xq5 h THR 66 Cb -0.09 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1xq5 h THR 66 CO -0.06 0.31 0.01 0.40 0.37 0.00 0.00 175.52 176.54 1xq5 h ILE 67 N 0.93 0.87 -0.77 3.11 2.04 -1.12 0.13 117.51 122.71 1xq5 h ILE 67 Ca 0.22 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 1xq5 h ILE 67 Cb 0.24 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1xq5 h ILE 67 CO -0.01 0.01 0.40 -0.07 0.00 0.00 0.00 178.15 178.49 1xq5 h LEU 68 N 0.08 0.97 -1.24 1.44 -0.00 -1.21 -0.65 115.31 114.70 1xq5 h LEU 68 Ca 0.09 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1xq5 h LEU 68 Cb 0.11 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 1xq5 h LEU 68 CO -0.15 0.80 0.13 0.45 -0.00 0.00 0.00 178.44 179.68 1xq5 h HIS 69 N 1.07 0.66 -0.45 1.13 3.86 -0.88 -0.87 115.15 119.67 1xq5 h HIS 69 Ca 0.27 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1xq5 h HIS 69 Cb 0.06 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1xq5 h HIS 69 CO 0.00 0.55 0.26 0.78 0.86 0.00 0.00 177.93 180.38 1xq5 h GLY 70 N 0.84 0.63 1.39 2.45 0.00 0.53 -2.01 103.07 106.90 1xq5 h GLY 70 Ca 0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1xq5 h GLY 70 CO -0.01 0.16 0.10 1.41 0.00 0.00 0.00 176.54 178.20 1xq5 h LEU 71 N 0.52 0.71 -1.09 3.11 3.38 -0.56 -2.28 115.31 119.09 1xq5 h LEU 71 Ca 0.18 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1xq5 h LEU 71 Cb 0.04 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 1xq5 h LEU 71 CO -0.10 0.72 0.61 -0.78 0.09 0.00 0.00 178.44 178.99 1xq5 h ASP 72 N 0.73 0.97 -0.34 -0.43 3.58 -0.46 -1.75 116.42 118.72 1xq5 h ASP 72 Ca 0.16 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1xq5 h ASP 72 Cb 0.31 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1xq5 h ASP 72 CO 0.00 0.63 0.23 0.03 -2.88 0.00 0.00 179.24 177.24 1xq5 h ARG 73 N 1.10 0.39 -0.13 0.28 3.08 -0.96 0.15 114.38 118.29 1xq5 h ARG 73 Ca 0.40 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 60.22 1xq5 h ARG 73 Cb 0.16 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1xq5 h ARG 73 CO -0.15 0.26 -0.75 0.00 -1.07 0.00 0.00 179.97 178.26 1xq5 h ALA 74 N 1.80 0.42 -0.24 0.04 0.00 -1.36 -2.81 119.26 117.12 1xq5 h ALA 74 Ca 0.13 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xq5 h ALA 74 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xq5 h ALA 74 CO -0.03 0.71 0.13 0.28 0.00 0.00 0.00 179.25 180.35 1xq5 h VAL 75 N 0.45 1.07 -0.01 0.00 2.07 -0.31 -1.97 116.25 117.57 1xq5 h VAL 75 Ca -0.04 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1xq5 h VAL 75 Cb 1.36 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1xq5 h VAL 75 CO 0.15 0.08 -0.11 0.29 0.02 0.00 0.00 177.57 178.00 1xq5 n LYS 76 N -4.48 1.18 -2.73 1.57 4.76 0.37 -4.13 118.16 114.70 1xq5 n LYS 76 Ca 0.00 -0.62 -0.04 0.00 -2.87 0.00 0.00 58.31 54.78 1xq5 n LYS 76 Cb 0.09 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 31.84 1xq5 n LYS 76 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1xq5 n ASN 77 N -0.37 1.91 0.26 4.39 3.02 -0.80 -4.99 115.26 118.68 1xq5 n ASN 77 Ca 0.16 -2.31 0.16 0.00 -0.03 0.00 0.00 54.58 52.56 1xq5 n ASN 77 Cb 0.32 -0.48 0.89 0.00 -0.61 0.00 0.00 39.78 39.91 1xq5 n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1xq5 h MET 78 N 2.63 0.00 -0.68 3.52 2.86 -1.56 0.18 114.93 121.88 1xq5 h MET 78 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xq5 h MET 78 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1xq5 h MET 78 CO 0.29 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.01 1xq5 n ASP 79 N -3.76 3.85 -2.72 1.22 9.92 -1.26 -4.41 116.55 119.39 1xq5 n ASP 79 Ca -0.01 -2.02 -0.04 0.00 -0.53 0.00 0.00 54.79 52.19 1xq5 n ASP 79 Cb 0.21 -0.46 0.08 0.00 -0.64 0.00 0.00 41.12 40.30 1xq5 n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1xq5 n ASN 80 N 1.48 0.12 -0.07 -2.24 5.15 0.61 -4.98 115.26 115.32 1xq5 n ASN 80 Ca 0.23 -2.35 -0.13 0.00 -0.60 0.00 0.00 54.58 51.72 1xq5 n ASN 80 Cb 0.61 0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.89 1xq5 n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1xq5 h ILE 81 N 3.74 1.32 -0.37 -1.44 2.04 -1.73 -2.63 117.51 118.44 1xq5 h ILE 81 Ca -0.23 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.31 1xq5 h ILE 81 Cb 1.26 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 39.02 1xq5 h ILE 81 CO 0.14 0.43 0.03 0.50 0.00 0.00 0.00 178.15 179.25 1xq5 h LYS 82 N 0.21 0.14 -0.54 2.37 3.64 -1.91 -0.85 116.57 119.63 1xq5 h LYS 82 Ca 0.03 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1xq5 h LYS 82 Cb 0.77 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1xq5 h LYS 82 CO 0.05 0.09 0.03 0.00 -2.27 0.00 0.00 179.45 177.36 1xq5 h ALA 83 N 1.31 0.73 -1.00 5.00 0.00 -1.97 -1.87 119.26 121.46 1xq5 h ALA 83 Ca 0.18 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xq5 h ALA 83 Cb 0.24 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1xq5 h ALA 83 CO -0.27 0.52 0.65 1.15 0.00 0.00 0.00 179.25 181.30 1xq5 h THR 84 N 0.82 1.17 -0.30 0.00 2.02 -1.02 -2.27 112.91 113.33 1xq5 h THR 84 Ca 0.16 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1xq5 h THR 84 Cb 0.49 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1xq5 h THR 84 CO 0.02 0.23 0.00 -1.22 0.37 0.00 0.00 175.52 174.92 1xq5 n TYR 85 N -4.44 0.40 -0.19 3.16 4.02 -0.38 -4.56 117.16 115.16 1xq5 n TYR 85 Ca 0.14 -0.20 -0.01 0.00 -0.01 0.00 0.00 57.90 57.82 1xq5 n TYR 85 Cb 0.10 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.48 1xq5 n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xq5 h ALA 86 N 3.96 0.44 0.00 -0.72 0.00 -0.73 0.38 119.26 122.60 1xq5 h ALA 86 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1xq5 h ALA 86 Cb 0.56 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1xq5 h ALA 86 CO 0.00 -0.42 -0.83 0.93 0.00 0.00 0.00 179.25 178.93 1xq5 h GLU 87 N 0.03 0.08 -0.47 0.00 4.39 -1.83 -2.45 114.58 114.33 1xq5 h GLU 87 Ca 0.29 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1xq5 h GLU 87 Cb 0.45 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1xq5 h GLU 87 CO -0.56 0.86 0.21 -0.07 -1.16 0.00 0.00 179.01 178.28 1xq5 h LEU 88 N 0.04 0.64 -0.26 1.33 3.38 -1.61 -1.07 115.31 117.76 1xq5 h LEU 88 Ca -0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1xq5 h LEU 88 Cb 1.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1xq5 h LEU 88 CO 0.12 0.61 0.17 -1.28 0.09 0.00 0.00 178.44 178.14 1xq5 h SER 89 N 0.62 0.31 -0.37 -0.43 0.87 -0.17 -1.54 113.55 112.84 1xq5 h SER 89 Ca 0.16 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1xq5 h SER 89 Cb 0.16 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 1xq5 h SER 89 CO -0.02 0.25 0.09 0.58 -0.53 0.00 0.00 176.83 177.20 1xq5 h VAL 90 N 0.34 0.84 -0.05 2.23 2.07 -1.22 -1.61 116.25 118.86 1xq5 h VAL 90 Ca 0.10 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1xq5 h VAL 90 Cb -0.01 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1xq5 h VAL 90 CO -0.02 0.04 -0.16 0.25 0.02 0.00 0.00 177.57 177.70 1xq5 h LEU 91 N 0.22 -0.47 0.00 2.57 6.46 -0.95 0.14 115.31 123.28 1xq5 h LEU 91 Ca 0.17 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1xq5 h LEU 91 Cb 0.18 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1xq5 h LEU 91 CO -0.21 -0.21 -0.09 0.45 -0.62 0.00 0.00 178.44 177.76 1xq5 h HIS 92 N -0.24 0.00 0.00 1.25 3.86 -1.05 0.11 115.15 119.08 1xq5 h HIS 92 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1xq5 h HIS 92 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1xq5 h HIS 92 CO -0.23 0.00 0.00 0.43 0.86 0.00 0.00 177.93 178.99 1xq5 n SER 93 N -2.73 0.00 -0.36 2.45 7.64 -0.63 -1.03 113.62 118.96 1xq5 n SER 93 Ca 0.04 0.01 0.01 0.00 1.01 0.00 0.00 58.87 59.94 1xq5 n SER 93 Cb 0.49 -0.05 0.15 0.00 -1.01 0.00 0.00 64.21 63.79 1xq5 n SER 93 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xq5 h GLU 94 N 0.00 1.15 0.00 1.43 5.08 -0.91 -0.50 114.58 120.83 1xq5 h GLU 94 Ca 0.00 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1xq5 h GLU 94 Cb 0.00 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1xq5 h GLU 94 CO 0.00 0.76 -1.07 1.17 -1.00 0.00 0.00 179.01 178.87 1xq5 n LYS 95 N -4.49 0.52 0.10 2.33 4.81 -0.88 -4.56 118.16 115.98 1xq5 n LYS 95 Ca 0.14 0.51 0.09 0.00 -0.87 0.00 0.00 58.31 58.18 1xq5 n LYS 95 Cb 0.14 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1xq5 n LYS 95 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1xq5 h LEU 96 N -1.00 0.00 -1.93 3.14 3.38 -0.87 -3.49 115.31 114.53 1xq5 h LEU 96 Ca -0.22 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.32 1xq5 h LEU 96 Cb 1.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.80 1xq5 h LEU 96 CO -0.14 0.12 -0.85 1.41 0.09 0.00 0.00 178.44 179.07 1xq5 n HIS 97 N -2.77 -1.88 -2.43 1.13 8.25 -0.20 -4.92 115.22 112.41 1xq5 n HIS 97 Ca -0.01 0.79 -0.43 0.00 -0.26 0.00 0.00 57.72 57.81 1xq5 n HIS 97 Cb 0.61 -4.20 -0.02 0.00 1.12 0.00 0.00 29.99 27.49 1xq5 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xq5 s VAL 98 N -3.70 4.24 0.17 1.59 1.01 -0.19 -4.98 120.40 118.53 1xq5 s VAL 98 Ca 0.05 1.45 -0.34 0.00 0.00 0.00 0.00 61.98 63.15 1xq5 s VAL 98 Cb -0.01 -4.08 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 1xq5 s VAL 98 CO 0.83 -0.28 1.56 -0.67 0.00 0.00 0.00 175.10 176.53 1xq5 n ASP 99 N 7.04 3.06 0.15 3.32 -0.08 -1.26 -4.80 116.55 123.98 1xq5 n ASP 99 Ca 0.14 1.09 0.12 0.00 -1.51 0.00 0.00 54.79 54.63 1xq5 n ASP 99 Cb 0.46 -1.43 0.56 0.00 2.34 0.00 0.00 41.12 43.04 1xq5 n ASP 99 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xq5 n PRO 100 N 3.26 0.17 0.25 -0.67 -0.04 -1.26 -1.43 135.00 135.27 1xq5 n PRO 100 Ca 0.16 0.55 0.10 0.00 -0.04 0.00 0.00 63.50 64.28 1xq5 n PRO 100 Cb 0.29 -1.93 0.69 0.00 -0.04 0.00 0.00 33.50 32.51 1xq5 n PRO 100 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1xq5 h ASP 101 N 0.00 0.00 0.60 3.54 1.82 -2.01 -2.05 116.42 118.32 1xq5 h ASP 101 Ca 0.00 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 1xq5 h ASP 101 Cb 0.15 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1xq5 h ASP 101 CO 0.00 0.00 -0.48 0.78 -1.61 0.00 0.00 179.24 177.93 1xq5 h ASN 102 N 0.00 0.00 -0.44 2.28 2.35 -1.60 -1.66 115.58 116.51 1xq5 h ASN 102 Ca 0.02 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1xq5 h ASN 102 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1xq5 h ASN 102 CO -0.00 0.48 0.08 -0.26 -1.65 0.00 0.00 177.43 176.08 1xq5 h PHE 103 N 0.00 0.82 -0.02 1.19 0.04 -1.53 -0.09 116.94 117.35 1xq5 h PHE 103 Ca -0.00 -0.09 -0.24 0.00 2.80 0.00 0.00 57.97 60.43 1xq5 h PHE 103 Cb 0.91 -0.24 0.01 0.00 2.20 0.00 0.00 35.95 38.84 1xq5 h PHE 103 CO 0.00 0.72 -0.97 -0.22 -0.60 0.00 0.00 178.31 177.24 1xq5 h LYS 104 N 0.76 0.60 0.17 1.51 3.64 -1.42 -1.62 116.57 120.20 1xq5 h LYS 104 Ca 0.16 -0.62 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1xq5 h LYS 104 Cb 0.34 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1xq5 h LYS 104 CO 0.01 1.23 -0.18 -0.07 -2.27 0.00 0.00 179.45 178.16 1xq5 h LEU 105 N 0.35 -0.48 -0.32 5.20 3.38 -1.09 0.13 115.31 122.48 1xq5 h LEU 105 Ca -0.10 0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1xq5 h LEU 105 Cb 1.61 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 1xq5 h LEU 105 CO 0.18 -0.27 0.14 0.25 0.09 0.00 0.00 178.44 178.83 1xq5 h LEU 106 N -0.38 0.18 -0.84 1.67 7.12 -1.05 -2.10 115.31 119.91 1xq5 h LEU 106 Ca 0.00 0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.09 1xq5 h LEU 106 Cb 0.37 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.43 1xq5 h LEU 106 CO -0.05 0.14 0.53 0.28 -0.13 0.00 0.00 178.44 179.21 1xq5 h SER 107 N 0.29 0.85 -0.91 1.25 0.02 -1.08 -0.83 113.55 113.13 1xq5 h SER 107 Ca 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1xq5 h SER 107 Cb 0.08 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1xq5 h SER 107 CO -0.12 0.56 0.58 0.44 -1.14 0.00 0.00 176.83 177.14 1xq5 h ASP 108 N 0.99 1.08 -0.54 3.07 3.32 -0.75 0.75 116.42 124.34 1xq5 h ASP 108 Ca 0.36 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 1xq5 h ASP 108 Cb 0.11 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1xq5 h ASP 108 CO -0.15 0.81 0.08 0.00 -1.72 0.00 0.00 179.24 178.26 1xq5 h LEU 110 N 0.78 0.91 -0.80 0.00 5.85 -0.69 -1.19 115.31 120.17 1xq5 h LEU 110 Ca 0.16 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1xq5 h LEU 110 Cb 0.42 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1xq5 h LEU 110 CO 0.01 0.92 0.46 0.74 -0.34 0.00 0.00 178.44 180.23 1xq5 h THR 111 N 0.85 0.93 -0.32 1.05 2.02 -0.64 1.00 112.91 117.81 1xq5 h THR 111 Ca 0.18 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 1xq5 h THR 111 Cb 0.38 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1xq5 h THR 111 CO 0.01 0.14 -0.46 0.40 0.37 0.00 0.00 175.52 175.99 1xq5 h ILE 112 N 0.79 1.28 -0.83 3.11 2.04 -0.70 -0.40 117.51 122.80 1xq5 h ILE 112 Ca 0.38 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1xq5 h ILE 112 Cb 0.31 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1xq5 h ILE 112 CO -0.23 0.54 0.50 0.58 0.00 0.00 0.00 178.15 179.54 1xq5 h VAL 113 N 0.67 1.23 -0.14 1.67 2.07 -0.86 -1.47 116.25 119.42 1xq5 h VAL 113 Ca 0.04 -0.51 -0.22 0.00 0.82 0.00 0.00 66.70 66.82 1xq5 h VAL 113 Cb 1.04 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1xq5 h VAL 113 CO 0.10 0.24 -0.79 0.58 0.02 0.00 0.00 177.57 177.73 1xq5 h VAL 114 N 1.15 1.28 -0.52 2.57 2.07 -0.63 -1.94 116.25 120.22 1xq5 h VAL 114 Ca 0.30 -1.99 0.02 0.00 0.82 0.00 0.00 66.70 65.85 1xq5 h VAL 114 Cb -0.04 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1xq5 h VAL 114 CO -0.06 0.63 0.31 0.00 0.02 0.00 0.00 177.57 178.48 1xq5 h ALA 115 N 0.57 0.67 -0.32 1.67 0.00 -0.98 0.24 119.26 121.11 1xq5 h ALA 115 Ca -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xq5 h ALA 115 Cb 1.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1xq5 h ALA 115 CO 0.16 0.02 0.18 0.00 0.00 0.00 0.00 179.25 179.62 1xq5 h ALA 116 N 1.23 0.40 0.26 0.00 0.00 -1.18 -0.76 119.26 119.20 1xq5 h ALA 116 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xq5 h ALA 116 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xq5 h ALA 116 CO -0.09 -0.18 -0.12 0.37 0.00 0.00 0.00 179.25 179.22 1xq5 h GLN 117 N 0.38 -0.33 0.00 0.00 4.15 -0.87 -3.33 115.11 115.10 1xq5 h GLN 117 Ca 0.13 0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.40 1xq5 h GLN 117 Cb 0.01 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1xq5 h GLN 117 CO -0.07 -0.02 -0.83 -0.07 -1.93 0.00 0.00 178.83 175.91 1xq5 h LEU 118 N -0.65 0.03 0.00 -2.39 3.38 -0.55 -3.49 115.31 111.64 1xq5 h LEU 118 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xq5 h LEU 118 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xq5 h LEU 118 CO 0.06 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.04 1xq5 n GLY 119 N 0.84 1.86 0.29 0.83 0.00 -0.29 -3.03 105.19 105.69 1xq5 n GLY 119 Ca -0.01 -0.46 0.19 0.00 0.00 0.00 0.00 46.02 45.74 1xq5 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xq5 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.94 0.55 116.57 120.43 1xq5 h LYS 120 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1xq5 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xq5 h LYS 120 CO 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 179.45 177.07 1xq5 h ALA 121 N 2.02 1.54 -0.95 5.00 0.00 -1.94 -3.32 119.26 121.60 1xq5 h ALA 121 Ca 0.00 -0.10 -0.75 0.00 0.00 0.00 0.00 54.91 54.06 1xq5 h ALA 121 Cb 0.24 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.87 1xq5 h ALA 121 CO 0.00 0.14 2.03 0.34 0.00 0.00 0.00 179.25 181.76 1xq5 n PHE 122 N -4.00 3.46 -1.50 0.00 7.35 0.18 -4.83 117.46 118.12 1xq5 n PHE 122 Ca -0.02 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.45 1xq5 n PHE 122 Cb 0.20 -2.09 0.20 0.00 0.35 0.00 0.00 39.48 38.14 1xq5 n PHE 122 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1xq5 s SER 123 N 1.61 2.25 0.21 -2.13 1.04 -1.25 -4.72 113.70 110.71 1xq5 s SER 123 Ca 0.42 0.55 -0.10 0.00 0.48 0.00 0.00 55.95 57.29 1xq5 s SER 123 Cb 0.08 -0.77 0.20 0.00 0.10 0.00 0.00 66.02 65.63 1xq5 s SER 123 CO -0.00 -3.30 1.84 1.23 0.98 0.00 0.00 173.24 173.99 1xq5 h GLY 124 N -2.02 1.01 0.99 7.32 0.00 -1.94 0.20 103.07 108.63 1xq5 h GLY 124 Ca -0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 1xq5 h GLY 124 CO 0.41 0.27 0.34 0.83 0.00 0.00 0.00 176.54 178.39 1xq5 h GLU 125 N 0.84 0.81 -0.37 4.80 5.08 -1.97 0.64 114.58 124.40 1xq5 h GLU 125 Ca 0.29 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1xq5 h GLU 125 Cb 0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1xq5 h GLU 125 CO -0.12 0.60 -0.07 0.28 -1.00 0.00 0.00 179.01 178.70 1xq5 h VAL 126 N 0.80 1.27 -0.64 3.13 2.07 -1.75 -2.52 116.25 118.61 1xq5 h VAL 126 Ca 0.21 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1xq5 h VAL 126 Cb 0.01 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1xq5 h VAL 126 CO -0.04 0.37 0.31 -0.61 0.02 0.00 0.00 177.57 177.63 1xq5 h GLN 127 N 0.51 0.91 -0.68 1.57 4.15 -0.46 -1.69 115.11 119.43 1xq5 h GLN 127 Ca 0.10 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1xq5 h GLN 127 Cb 0.57 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1xq5 h GLN 127 CO 0.03 0.70 0.33 0.00 -1.93 0.00 0.00 178.83 177.97 1xq5 h ALA 128 N 1.44 0.87 -0.49 3.38 0.00 -0.63 0.19 119.26 124.02 1xq5 h ALA 128 Ca 0.22 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1xq5 h ALA 128 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xq5 h ALA 128 CO -0.03 0.43 -0.17 0.00 0.00 0.00 0.00 179.25 179.48 1xq5 h ALA 129 N 1.16 0.77 -0.26 0.00 0.00 -1.11 -1.49 119.26 118.32 1xq5 h ALA 129 Ca 0.23 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1xq5 h ALA 129 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xq5 h ALA 129 CO -0.03 0.67 -0.18 0.35 0.00 0.00 0.00 179.25 180.05 1xq5 h PHE 130 N 0.85 0.69 -0.68 0.00 3.57 -0.95 -1.33 116.94 119.09 1xq5 h PHE 130 Ca 0.12 -0.19 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 1xq5 h PHE 130 Cb 0.73 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1xq5 h PHE 130 CO 0.05 0.87 0.24 0.37 -2.23 0.00 0.00 178.31 177.61 1xq5 h GLN 131 N 0.31 1.02 -0.38 1.11 5.75 -0.57 0.12 115.11 122.48 1xq5 h GLN 131 Ca 0.05 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 1xq5 h GLN 131 Cb 0.72 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1xq5 h GLN 131 CO 0.05 0.85 0.15 -0.22 -2.65 0.00 0.00 178.83 177.01 1xq5 h LYS 132 N 0.99 0.57 0.12 1.69 3.64 -1.07 0.23 116.57 122.75 1xq5 h LYS 132 Ca 0.23 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1xq5 h LYS 132 Cb 0.23 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1xq5 h LYS 132 CO -0.01 0.54 -0.31 0.35 -2.27 0.00 0.00 179.45 177.74 1xq5 h PHE 133 N 0.47 -0.85 -0.30 1.91 3.57 -0.91 -2.32 116.94 118.51 1xq5 h PHE 133 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1xq5 h PHE 133 Cb 0.18 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1xq5 h PHE 133 CO -0.00 -0.42 0.19 -0.07 -2.23 0.00 0.00 178.31 175.78 1xq5 h LEU 134 N -0.54 0.34 -0.76 0.59 3.38 -0.76 -0.58 115.31 116.99 1xq5 h LEU 134 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1xq5 h LEU 134 Cb 0.56 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1xq5 h LEU 134 CO -0.18 0.25 0.36 0.28 0.09 0.00 0.00 178.44 179.25 1xq5 h SER 135 N 0.40 0.99 -0.23 -0.43 0.02 -0.28 -0.11 113.55 113.91 1xq5 h SER 135 Ca 0.11 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1xq5 h SER 135 Cb -0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1xq5 h SER 135 CO -0.02 0.85 -0.09 0.58 -1.14 0.00 0.00 176.83 177.00 1xq5 h VAL 136 N 1.07 1.30 -0.32 2.27 2.07 -0.78 -1.70 116.25 120.15 1xq5 h VAL 136 Ca 0.26 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1xq5 h VAL 136 Cb 0.12 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1xq5 h VAL 136 CO -0.03 0.35 0.17 0.58 0.02 0.00 0.00 177.57 178.66 1xq5 h VAL 137 N 0.20 1.14 -0.39 2.57 2.07 -1.08 -1.13 116.25 119.64 1xq5 h VAL 137 Ca 0.05 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1xq5 h VAL 137 Cb 0.58 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1xq5 h VAL 137 CO 0.03 0.15 0.08 0.58 0.02 0.00 0.00 177.57 178.42 1xq5 h VAL 138 N 0.40 1.19 -0.17 2.57 2.07 -0.97 -0.81 116.25 120.52 1xq5 h VAL 138 Ca 0.11 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 1xq5 h VAL 138 Cb 0.08 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1xq5 h VAL 138 CO -0.02 0.24 -0.20 -1.28 0.02 0.00 0.00 177.57 176.33 1xq5 h SER 139 N 0.56 0.47 0.05 0.57 0.87 -1.15 -2.82 113.55 112.10 1xq5 h SER 139 Ca 0.13 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1xq5 h SER 139 Cb 0.25 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1xq5 h SER 139 CO -0.00 0.88 -0.04 0.00 -0.53 0.00 0.00 176.83 177.13 1xq5 h ALA 140 N 0.61 1.88 0.05 6.23 0.00 -0.84 -3.35 119.26 123.85 1xq5 h ALA 140 Ca 0.02 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1xq5 h ALA 140 Cb 0.76 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1xq5 h ALA 140 CO 0.05 0.05 -1.45 -0.07 0.00 0.00 0.00 179.25 177.83 1xq5 h LEU 141 N 0.00 0.18 -2.41 0.00 3.38 -0.90 -3.40 115.31 112.15 1xq5 h LEU 141 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1xq5 h LEU 141 Cb 0.08 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1xq5 h LEU 141 CO 0.01 1.22 -0.86 0.61 0.09 0.00 0.00 178.44 179.50 1xq5 n GLY 142 N 1.56 -4.18 3.67 0.83 0.00 -1.16 -4.21 105.19 101.71 1xq5 n GLY 142 Ca -0.13 0.69 -0.46 0.00 0.00 0.00 0.00 46.02 46.12 1xq5 n GLY 142 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xq5 n LYS 143 N 0.82 2.17 -3.69 1.61 4.81 -1.26 -4.84 118.16 117.78 1xq5 n LYS 143 Ca -0.16 0.78 -0.36 0.00 -0.87 0.00 0.00 58.31 57.71 1xq5 n LYS 143 Cb 0.25 -2.55 -0.09 0.00 0.02 0.00 0.00 35.03 32.66 1xq5 n LYS 143 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1xq5 s GLN 144 N 0.94 4.14 0.00 1.64 -1.52 -1.26 -4.94 119.66 118.66 1xq5 s GLN 144 Ca 0.79 -0.22 0.07 0.00 -1.95 0.00 0.00 55.36 54.04 1xq5 s GLN 144 Cb -0.67 -3.47 0.04 0.00 -0.22 0.00 0.00 33.01 28.68 1xq5 s GLN 144 CO 0.38 0.19 0.66 0.66 -0.25 0.00 0.00 175.29 176.93 1xq5 n TYR 145 N 3.87 0.00 -1.23 0.91 4.01 -1.26 -5.16 117.16 118.30 1xq5 n TYR 145 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1xq5 n TYR 145 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1xq5 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12