#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq5 s LEU 2 N 0.00 4.58 1.02 -3.43 1.02 -1.26 -5.06 118.68 115.55 1xq5 s LEU 2 Ca 0.00 1.60 -0.17 0.00 0.02 0.00 0.00 54.13 55.59 1xq5 s LEU 2 Cb 0.00 -3.26 0.22 0.00 0.02 0.00 0.00 46.19 43.16 1xq5 s LEU 2 CO 0.00 0.21 1.25 -0.94 0.02 0.00 0.00 176.35 176.90 1xq5 s SER 3 N -1.16 2.56 0.21 2.29 1.04 -1.26 -4.87 113.70 112.51 1xq5 s SER 3 Ca 0.35 0.41 0.06 0.00 0.48 0.00 0.00 55.95 57.25 1xq5 s SER 3 Cb -0.23 -0.54 0.14 0.00 0.10 0.00 0.00 66.02 65.49 1xq5 s SER 3 CO 0.25 -3.09 1.48 0.28 0.98 0.00 0.00 173.24 173.14 1xq5 h SER 4 N -1.88 0.14 -0.29 7.02 0.02 -1.99 -2.27 113.55 114.29 1xq5 h SER 4 Ca -0.45 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.42 1xq5 h SER 4 Cb 1.26 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 1xq5 h SER 4 CO 0.39 0.84 0.13 0.50 -1.14 0.00 0.00 176.83 177.55 1xq5 h LYS 5 N 0.07 0.27 -0.32 3.45 1.63 -2.00 -0.64 116.57 119.04 1xq5 h LYS 5 Ca -0.02 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1xq5 h LYS 5 Cb 1.33 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.88 1xq5 h LYS 5 CO 0.11 0.18 0.16 -0.44 -3.45 0.00 0.00 179.45 176.01 1xq5 h ASP 6 N 0.28 0.41 -0.25 4.20 3.32 -1.88 -2.14 116.42 120.36 1xq5 h ASP 6 Ca 0.12 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xq5 h ASP 6 Cb 0.06 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1xq5 h ASP 6 CO -0.10 0.40 0.15 0.11 -1.72 0.00 0.00 179.24 178.08 1xq5 h LYS 7 N 0.39 0.34 -0.52 3.56 1.57 -1.14 -1.05 116.57 119.72 1xq5 h LYS 7 Ca 0.11 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1xq5 h LYS 7 Cb 0.09 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1xq5 h LYS 7 CO -0.02 0.28 0.32 -0.44 -0.57 0.00 0.00 179.45 179.02 1xq5 h ASP 8 N 0.31 0.62 -0.59 0.86 5.19 -1.06 -0.09 116.42 121.66 1xq5 h ASP 8 Ca 0.09 -0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.52 1xq5 h ASP 8 Cb 0.02 -0.16 -0.06 0.00 0.18 0.00 0.00 39.33 39.32 1xq5 h ASP 8 CO -0.02 0.49 0.27 0.74 -3.12 0.00 0.00 179.24 177.60 1xq5 h THR 9 N 0.70 0.86 -0.22 0.35 2.02 -1.19 0.40 112.91 115.83 1xq5 h THR 9 Ca 0.19 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 1xq5 h THR 9 Cb -0.03 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1xq5 h THR 9 CO -0.04 0.09 -0.08 0.58 0.37 0.00 0.00 175.52 176.45 1xq5 h VAL 10 N 0.49 1.29 -0.74 3.16 2.07 -0.91 -0.11 116.25 121.51 1xq5 h VAL 10 Ca 0.28 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1xq5 h VAL 10 Cb 0.28 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1xq5 h VAL 10 CO -0.24 0.34 0.31 0.11 0.02 0.00 0.00 177.57 178.11 1xq5 h LYS 11 N 0.16 1.09 0.09 1.57 1.57 -0.68 0.13 116.57 120.49 1xq5 h LYS 11 Ca 0.05 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1xq5 h LYS 11 Cb 0.55 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1xq5 h LYS 11 CO 0.03 0.87 -0.04 0.00 -0.57 0.00 0.00 179.45 179.73 1xq5 h ALA 12 N 1.27 -0.12 -0.74 3.86 0.00 -0.11 -1.84 119.26 121.58 1xq5 h ALA 12 Ca 0.25 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1xq5 h ALA 12 Cb 0.18 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.88 1xq5 h ALA 12 CO -0.02 -0.40 -0.27 1.25 0.00 0.00 0.00 179.25 179.81 1xq5 h LEU 13 N -0.46 -0.98 -1.37 0.00 5.85 -0.86 -1.77 115.31 115.72 1xq5 h LEU 13 Ca -0.01 0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1xq5 h LEU 13 Cb 0.39 0.55 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1xq5 h LEU 13 CO 0.02 -0.28 0.12 -0.25 -0.34 0.00 0.00 178.44 177.71 1xq5 h TRP 14 N -0.06 0.54 0.44 1.25 2.91 -0.57 -2.05 115.95 118.42 1xq5 h TRP 14 Ca 0.32 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.31 1xq5 h TRP 14 Cb 0.57 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 1xq5 h TRP 14 CO -0.66 0.46 -0.41 0.78 -1.03 0.00 0.00 178.44 177.58 1xq5 h GLY 15 N 0.73 -0.99 0.94 2.65 0.00 -0.80 -3.30 103.07 102.30 1xq5 h GLY 15 Ca 0.13 0.47 0.07 0.00 0.00 0.00 0.00 47.33 48.00 1xq5 h GLY 15 CO -0.01 -0.33 0.52 0.50 0.00 0.00 0.00 176.54 177.22 1xq5 h LYS 16 N -0.86 0.83 -0.46 4.80 1.57 -0.77 0.02 116.57 121.70 1xq5 h LYS 16 Ca -0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xq5 h LYS 16 Cb 0.75 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1xq5 h LYS 16 CO -0.05 0.55 0.00 0.44 -0.57 0.00 0.00 179.45 179.82 1xq5 n ILE 17 N -4.49 0.00 0.00 1.86 -5.35 -0.82 -4.58 119.36 105.98 1xq5 n ILE 17 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 1xq5 n ILE 17 Cb 0.23 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1xq5 n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xq5 n ALA 18 N -0.23 0.00 0.26 -1.28 0.00 -0.01 -1.28 120.51 117.97 1xq5 n ALA 18 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1xq5 n ALA 18 Cb 0.12 0.38 0.58 0.00 0.00 0.00 0.00 19.45 20.53 1xq5 n ALA 18 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xq5 h ASP 19 N 0.00 0.00 0.09 0.00 5.19 -1.86 -2.98 116.42 116.85 1xq5 h ASP 19 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xq5 h ASP 19 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1xq5 h ASP 19 CO 0.00 0.06 -0.65 0.29 -3.12 0.00 0.00 179.24 175.81 1xq5 n LYS 20 N -3.17 0.56 -0.06 3.56 5.02 -0.97 -4.71 118.16 118.39 1xq5 n LYS 20 Ca 0.01 -0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 55.77 1xq5 n LYS 20 Cb 0.36 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1xq5 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xq5 h ALA 21 N 3.42 0.31 -0.40 7.82 0.00 -1.02 0.39 119.26 129.76 1xq5 h ALA 21 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1xq5 h ALA 21 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xq5 h ALA 21 CO 0.00 -0.24 -0.14 0.93 0.00 0.00 0.00 179.25 179.80 1xq5 h GLU 22 N 0.30 0.81 -0.45 0.00 4.39 -1.84 -0.96 114.58 116.83 1xq5 h GLU 22 Ca 0.09 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.41 1xq5 h GLU 22 Cb -0.01 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1xq5 h GLU 22 CO -0.04 0.95 0.05 0.93 -1.16 0.00 0.00 179.01 179.74 1xq5 h GLU 23 N 0.62 0.76 -0.74 2.33 3.07 -1.82 -1.99 114.58 116.80 1xq5 h GLU 23 Ca 0.10 -0.22 0.13 0.00 -0.50 0.00 0.00 59.36 58.87 1xq5 h GLU 23 Cb 0.68 -0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.42 1xq5 h GLU 23 CO 0.05 0.80 0.32 0.82 -1.40 0.00 0.00 179.01 179.59 1xq5 h ILE 24 N 0.61 0.72 -0.40 3.13 2.04 0.03 -1.34 117.51 122.30 1xq5 h ILE 24 Ca 0.13 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1xq5 h ILE 24 Cb 0.42 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1xq5 h ILE 24 CO 0.01 0.09 -0.04 1.23 0.00 0.00 0.00 178.15 179.44 1xq5 h GLY 25 N 0.49 0.80 0.68 5.37 0.00 -0.87 -0.87 103.07 108.67 1xq5 h GLY 25 Ca 0.39 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1xq5 h GLY 25 CO -0.36 0.57 -0.10 1.48 0.00 0.00 0.00 176.54 178.13 1xq5 h SER 26 N 0.56 -0.30 -0.62 0.19 4.64 -1.18 -1.36 113.55 115.47 1xq5 h SER 26 Ca 0.11 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1xq5 h SER 26 Cb 0.54 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1xq5 h SER 26 CO 0.03 -0.14 0.09 0.44 -0.87 0.00 0.00 176.83 176.38 1xq5 h ASP 27 N -0.15 0.99 -0.70 4.97 3.32 -1.24 -0.91 116.42 122.71 1xq5 h ASP 27 Ca 0.06 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 56.87 1xq5 h ASP 27 Cb 0.22 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1xq5 h ASP 27 CO -0.14 1.01 0.44 0.00 -1.72 0.00 0.00 179.24 178.83 1xq5 h ALA 28 N 1.02 0.91 -0.63 3.45 0.00 -1.12 0.10 119.26 122.99 1xq5 h ALA 28 Ca 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1xq5 h ALA 28 Cb 0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1xq5 h ALA 28 CO 0.01 0.23 0.16 1.25 0.00 0.00 0.00 179.25 180.90 1xq5 h LEU 29 N 0.87 0.96 -0.64 0.00 5.85 -1.05 -1.08 115.31 120.22 1xq5 h LEU 29 Ca 0.28 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1xq5 h LEU 29 Cb -0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1xq5 h LEU 29 CO -0.10 0.94 0.38 0.77 -0.34 0.00 0.00 178.44 180.09 1xq5 h SER 30 N 0.93 0.78 -0.03 1.25 4.64 -0.74 -1.81 113.55 118.56 1xq5 h SER 30 Ca 0.20 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1xq5 h SER 30 Cb 0.36 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1xq5 h SER 30 CO 0.00 0.62 0.01 0.03 -0.87 0.00 0.00 176.83 176.62 1xq5 h ARG 31 N 0.87 0.02 -0.34 4.77 3.08 -0.49 -1.80 114.38 120.49 1xq5 h ARG 31 Ca 0.23 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.34 1xq5 h ARG 31 Cb -0.01 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 1xq5 h ARG 31 CO -0.04 0.01 -0.07 1.98 -1.07 0.00 0.00 179.97 180.78 1xq5 h MET 32 N 0.02 0.01 -0.53 0.04 4.05 -0.89 0.27 114.93 117.89 1xq5 h MET 32 Ca 0.01 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1xq5 h MET 32 Cb 0.01 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1xq5 h MET 32 CO -0.02 0.01 0.11 -0.07 0.23 0.00 0.00 176.91 177.17 1xq5 h LEU 33 N 0.01 0.76 0.13 3.39 3.38 -1.06 -0.04 115.31 121.88 1xq5 h LEU 33 Ca 0.16 -0.14 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 1xq5 h LEU 33 Cb 0.25 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xq5 h LEU 33 CO -0.34 0.76 -1.13 0.00 0.09 0.00 0.00 178.44 177.81 1xq5 h ALA 34 N 1.34 0.04 0.07 1.53 0.00 -1.02 -3.28 119.26 117.94 1xq5 h ALA 34 Ca 0.17 -0.90 -0.25 0.00 0.00 0.00 0.00 54.91 53.93 1xq5 h ALA 34 Cb 0.31 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1xq5 h ALA 34 CO 0.00 0.61 -1.11 0.28 0.00 0.00 0.00 179.25 179.03 1xq5 h VAL 35 N -0.34 1.52 -2.53 0.00 2.07 -0.44 -3.38 116.25 113.15 1xq5 h VAL 35 Ca -0.23 -2.96 -0.60 0.00 0.82 0.00 0.00 66.70 63.73 1xq5 h VAL 35 Cb 1.71 2.78 -0.41 0.00 -1.52 0.00 0.00 31.29 33.85 1xq5 h VAL 35 CO 0.10 0.86 -0.75 -1.22 0.02 0.00 0.00 177.57 176.58 1xq5 n TYR 36 N -3.56 1.84 0.27 1.57 4.01 -0.03 -4.98 117.16 116.28 1xq5 n TYR 36 Ca -0.06 -3.93 0.13 0.00 -0.16 0.00 0.00 57.90 53.88 1xq5 n TYR 36 Cb 0.95 -0.36 0.61 0.00 -0.31 0.00 0.00 39.34 40.23 1xq5 n TYR 36 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xq5 h PRO 37 N 4.92 0.00 -1.35 -0.72 0.11 -1.72 -1.00 132.00 132.23 1xq5 h PRO 37 Ca 0.18 0.00 0.44 0.00 0.11 0.00 0.00 66.00 66.72 1xq5 h PRO 37 Cb 0.78 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.77 1xq5 h PRO 37 CO 0.63 0.00 0.88 1.96 -0.21 0.00 0.00 178.00 181.26 1xq5 h GLN 38 N 0.00 0.08 0.00 1.05 7.50 -1.91 -1.25 115.11 120.59 1xq5 h GLN 38 Ca 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1xq5 h GLN 38 Cb 0.16 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.68 1xq5 h GLN 38 CO 0.00 0.06 0.00 1.79 -1.50 0.00 0.00 178.83 179.18 1xq5 h THR 39 N 0.09 0.00 -0.26 -0.54 1.35 -1.48 -3.33 112.91 108.73 1xq5 h THR 39 Ca 0.82 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 66.11 1xq5 h THR 39 Cb 2.62 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 70.56 1xq5 h THR 39 CO -0.38 0.00 0.07 0.11 -0.25 0.00 0.00 175.52 175.07 1xq5 h LYS 40 N 0.00 0.37 -0.97 4.72 1.57 -1.43 -2.69 116.57 118.13 1xq5 h LYS 40 Ca 0.00 -0.05 0.24 0.00 -1.87 0.00 0.00 60.65 58.98 1xq5 h LYS 40 Cb 0.76 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.93 1xq5 h LYS 40 CO 0.00 0.35 0.65 0.00 -0.57 0.00 0.00 179.45 179.88 1xq5 h THR 41 N 0.37 0.59 0.00 -0.16 1.03 -1.76 -0.40 112.91 112.58 1xq5 h THR 41 Ca 0.09 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1xq5 h THR 41 Cb 0.14 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 67.47 1xq5 h THR 41 CO -0.00 0.06 0.00 1.88 -0.01 0.00 0.00 175.52 177.44 1xq5 h TYR 42 N 0.32 0.00 -0.41 0.00 0.05 -1.77 -3.24 116.97 111.91 1xq5 h TYR 42 Ca 0.51 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.99 1xq5 h TYR 42 Cb 1.45 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.92 1xq5 h TYR 42 CO -0.00 0.00 -0.74 1.19 -1.05 0.00 0.00 178.16 177.55 1xq5 n PHE 43 N -2.32 1.48 -0.05 4.88 3.72 -0.18 -4.78 117.46 120.21 1xq5 n PHE 43 Ca 0.04 -1.85 0.02 0.00 -0.05 0.00 0.00 57.45 55.61 1xq5 n PHE 43 Cb 0.38 -0.29 0.35 0.00 -0.94 0.00 0.00 39.48 38.98 1xq5 n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xq5 h SER 44 N 1.72 0.57 0.00 4.37 4.64 -1.54 -2.04 113.55 121.27 1xq5 h SER 44 Ca 0.16 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1xq5 h SER 44 Cb 1.35 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1xq5 h SER 44 CO 0.40 0.47 0.00 0.00 -0.87 0.00 0.00 176.83 176.83 1xq5 n HIS 45 N -4.41 0.00 -3.35 4.77 -0.00 -1.26 -4.75 115.22 106.21 1xq5 n HIS 45 Ca 0.04 -0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 1xq5 n HIS 45 Cb 0.10 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 29.93 1xq5 n HIS 45 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1xq5 n TRP 46 N 0.70 -0.42 -0.06 -1.40 8.01 -0.77 -5.14 117.44 118.36 1xq5 n TRP 46 Ca 0.00 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.09 1xq5 n TRP 46 Cb 0.24 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.51 1xq5 n TRP 46 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1xq5 n LYS 47 N -0.14 0.36 0.00 -0.99 4.76 -1.26 -5.02 118.16 115.86 1xq5 n LYS 47 Ca 0.00 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1xq5 n LYS 47 Cb 0.00 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1xq5 n LYS 47 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1xq5 n ASP 48 N -4.04 0.00 -0.51 4.39 -0.08 -1.26 -5.11 116.55 109.94 1xq5 n ASP 48 Ca -0.17 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.25 1xq5 n ASP 48 Cb 0.47 0.00 0.49 0.00 2.34 0.00 0.00 41.12 44.42 1xq5 n ASP 48 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1xq5 n LEU 49 N 0.00 1.61 -4.74 -2.67 4.32 -1.26 -4.63 117.00 109.63 1xq5 n LEU 49 Ca 0.00 -0.54 -0.32 0.00 -0.02 0.00 0.00 56.01 55.14 1xq5 n LEU 49 Cb 0.00 -0.00 0.10 0.00 -1.62 0.00 0.00 43.42 41.90 1xq5 n LEU 49 CO 0.00 0.27 0.72 -0.94 -1.22 0.00 0.00 177.39 176.21 1xq5 s SER 50 N -2.00 4.13 0.79 -1.43 1.04 -1.26 -4.65 113.70 110.31 1xq5 s SER 50 Ca 0.37 2.03 -0.11 0.00 0.48 0.00 0.00 55.95 58.73 1xq5 s SER 50 Cb 0.21 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.84 1xq5 s SER 50 CO 0.33 -2.29 1.09 -2.16 0.98 0.00 0.00 173.24 171.19 1xq5 s PRO 51 N -4.55 2.17 0.00 4.02 0.04 -1.26 -3.11 135.00 132.31 1xq5 s PRO 51 Ca 0.66 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1xq5 s PRO 51 Cb -0.21 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1xq5 s PRO 51 CO 0.52 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 176.32 1xq5 n GLY 52 N -1.45 2.79 3.77 0.56 0.00 -1.26 -4.99 105.19 104.60 1xq5 n GLY 52 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1xq5 n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xq5 s SER 53 N -0.47 6.30 0.18 1.61 1.04 -1.18 -4.84 113.70 116.34 1xq5 s SER 53 Ca 0.00 2.68 -0.13 0.00 0.48 0.00 0.00 55.95 58.98 1xq5 s SER 53 Cb 0.00 -2.64 0.08 0.00 0.10 0.00 0.00 66.02 63.56 1xq5 s SER 53 CO 0.00 -0.86 1.80 0.00 0.98 0.00 0.00 173.24 175.17 1xq5 h ALA 54 N 2.69 0.75 -0.78 5.32 0.00 -1.90 -0.97 119.26 124.37 1xq5 h ALA 54 Ca -0.50 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.36 1xq5 h ALA 54 Cb 1.25 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1xq5 h ALA 54 CO 0.63 0.25 0.50 -1.35 0.00 0.00 0.00 179.25 179.27 1xq5 h PRO 55 N 0.80 0.95 -0.55 0.00 0.11 -1.93 -0.76 132.00 130.62 1xq5 h PRO 55 Ca 0.21 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 1xq5 h PRO 55 Cb 0.01 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 1xq5 h PRO 55 CO -0.04 0.63 -0.10 0.28 -0.21 0.00 0.00 178.00 178.56 1xq5 h VAL 56 N 0.97 1.27 0.12 3.15 2.07 -1.76 -0.20 116.25 121.87 1xq5 h VAL 56 Ca 0.31 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1xq5 h VAL 56 Cb -0.00 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1xq5 h VAL 56 CO -0.11 0.45 -0.06 0.78 0.02 0.00 0.00 177.57 178.65 1xq5 h ASN 57 N 0.92 -0.13 -0.33 0.57 4.21 -0.92 0.65 115.58 120.54 1xq5 h ASN 57 Ca 0.14 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.56 1xq5 h ASN 57 Cb 0.67 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.90 1xq5 h ASN 57 CO 0.05 -0.09 -0.16 0.11 -1.29 0.00 0.00 177.43 176.05 1xq5 h LYS 58 N -0.16 0.69 -0.12 0.81 6.56 -1.07 -2.40 116.57 120.88 1xq5 h LYS 58 Ca -0.02 -0.30 -0.09 0.00 -1.06 0.00 0.00 60.65 59.19 1xq5 h LYS 58 Cb 0.13 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 1xq5 h LYS 58 CO 0.03 0.90 -0.33 1.25 -2.06 0.00 0.00 179.45 179.23 1xq5 h HIS 59 N 0.46 0.26 -0.72 -1.35 2.76 -1.01 -2.25 115.15 113.29 1xq5 h HIS 59 Ca 0.07 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1xq5 h HIS 59 Cb 0.69 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.54 1xq5 h HIS 59 CO 0.06 0.54 0.45 0.78 -1.30 0.00 0.00 177.93 178.45 1xq5 h GLY 60 N 1.09 1.04 0.35 5.26 0.00 -0.74 0.82 103.07 110.88 1xq5 h GLY 60 Ca 0.03 -0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.11 1xq5 h GLY 60 CO 0.05 0.28 0.14 0.50 0.00 0.00 0.00 176.54 177.51 1xq5 h LYS 61 N 0.88 0.28 -0.27 4.80 1.57 -1.21 -1.83 116.57 120.78 1xq5 h LYS 61 Ca 0.29 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1xq5 h LYS 61 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1xq5 h LYS 61 CO -0.11 0.19 0.16 1.15 -0.57 0.00 0.00 179.45 180.26 1xq5 h THR 62 N 0.29 1.10 -0.07 -0.16 2.02 -0.73 -1.66 112.91 113.71 1xq5 h THR 62 Ca 0.27 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1xq5 h THR 62 Cb 0.36 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1xq5 h THR 62 CO -0.33 0.10 -0.01 0.40 0.37 0.00 0.00 175.52 176.05 1xq5 h ILE 63 N 0.34 0.94 -0.18 3.11 1.08 -0.68 -0.99 117.51 121.14 1xq5 h ILE 63 Ca 0.10 -0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.57 1xq5 h ILE 63 Cb 0.02 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1xq5 h ILE 63 CO -0.02 0.00 0.12 0.24 -0.69 0.00 0.00 178.15 177.80 1xq5 h MET 64 N 0.00 0.21 -0.36 2.37 2.86 -1.31 -1.03 114.93 117.67 1xq5 h MET 64 Ca 0.03 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1xq5 h MET 64 Cb 0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1xq5 h MET 64 CO -0.07 0.14 0.05 0.78 1.06 0.00 0.00 176.91 178.87 1xq5 h GLY 65 N 0.21 0.64 1.10 8.32 0.00 -0.59 0.21 103.07 112.96 1xq5 h GLY 65 Ca 0.07 -0.43 0.06 0.00 0.00 0.00 0.00 47.33 47.03 1xq5 h GLY 65 CO -0.01 0.40 0.45 -1.33 0.00 0.00 0.00 176.54 176.04 1xq5 h GLY 66 N 0.43 0.88 1.65 4.60 0.00 -0.57 -0.95 103.07 109.11 1xq5 h GLY 66 Ca 0.11 -0.28 -0.27 0.00 0.00 0.00 0.00 47.33 46.89 1xq5 h GLY 66 CO 0.01 0.21 -1.23 -2.22 0.00 0.00 0.00 176.54 173.31 1xq5 h ILE 67 N 0.70 1.51 -0.28 2.60 2.04 -0.72 -1.48 117.51 121.89 1xq5 h ILE 67 Ca 0.29 -3.08 -0.04 0.00 1.00 0.00 0.00 64.86 63.03 1xq5 h ILE 67 Cb 0.25 2.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 1xq5 h ILE 67 CO -0.09 0.90 -0.01 1.62 0.00 0.00 0.00 178.15 180.57 1xq5 h VAL 68 N 0.07 1.17 -0.13 1.67 3.04 -0.40 0.97 116.25 122.65 1xq5 h VAL 68 Ca -0.13 -0.69 0.04 0.00 -1.01 0.00 0.00 66.70 64.91 1xq5 h VAL 68 Cb 1.96 0.98 -0.05 0.00 -2.01 0.00 0.00 31.29 32.18 1xq5 h VAL 68 CO 0.20 0.23 -0.15 -0.78 -1.01 0.00 0.00 177.57 176.06 1xq5 h ASP 69 N 0.40 -0.46 -0.49 3.17 3.58 -1.09 -0.61 116.42 120.93 1xq5 h ASP 69 Ca 0.09 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.68 1xq5 h ASP 69 Cb 0.29 0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 1xq5 h ASP 69 CO 0.01 -0.19 0.23 0.00 -2.88 0.00 0.00 179.24 176.40 1xq5 h ALA 70 N 0.88 0.62 -0.51 -0.78 0.00 -0.62 -1.25 119.26 117.61 1xq5 h ALA 70 Ca 0.09 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1xq5 h ALA 70 Cb 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1xq5 h ALA 70 CO -0.24 -0.14 0.26 0.28 0.00 0.00 0.00 179.25 179.41 1xq5 h VAL 71 N 0.45 0.95 0.00 0.00 2.07 -0.43 0.75 116.25 120.04 1xq5 h VAL 71 Ca 0.22 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1xq5 h VAL 71 Cb 0.16 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1xq5 h VAL 71 CO -0.18 0.09 -0.15 0.00 0.02 0.00 0.00 177.57 177.36 1xq5 h ALA 72 N 1.28 1.32 -0.39 1.67 0.00 -0.67 -2.67 119.26 119.79 1xq5 h ALA 72 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1xq5 h ALA 72 Cb 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1xq5 h ALA 72 CO -0.16 0.18 0.04 0.43 0.00 0.00 0.00 179.25 179.75 1xq5 n SER 73 N -3.73 4.03 0.30 0.00 7.64 -0.51 -4.74 113.62 116.60 1xq5 n SER 73 Ca -0.02 -3.17 0.19 0.00 1.01 0.00 0.00 58.87 56.88 1xq5 n SER 73 Cb 0.26 -0.61 0.96 0.00 -1.01 0.00 0.00 64.21 63.81 1xq5 n SER 73 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1xq5 h ILE 74 N 2.05 0.14 0.00 0.44 2.10 -0.50 -1.36 117.51 120.38 1xq5 h ILE 74 Ca 0.09 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.92 1xq5 h ILE 74 Cb 1.70 0.83 -0.02 0.00 -1.09 0.00 0.00 36.82 38.25 1xq5 h ILE 74 CO 0.37 0.00 -0.51 0.44 -1.08 0.00 0.00 178.15 177.38 1xq5 h ASP 75 N 0.00 0.00 -1.64 2.19 3.45 -1.86 -3.39 116.42 115.17 1xq5 h ASP 75 Ca 0.03 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.22 1xq5 h ASP 75 Cb 0.40 0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 38.89 1xq5 h ASP 75 CO -0.00 0.51 -0.61 -0.62 -1.57 0.00 0.00 179.24 176.94 1xq5 s ASP 76 N -6.64 0.29 0.15 6.45 3.68 -0.52 -5.02 116.67 115.06 1xq5 s ASP 76 Ca -0.00 -1.36 -0.00 0.00 2.13 0.00 0.00 52.55 53.32 1xq5 s ASP 76 Cb 0.12 1.01 -0.04 0.00 -1.45 0.00 0.00 42.92 42.56 1xq5 s ASP 76 CO 0.73 -0.23 1.35 -0.07 0.13 0.00 0.00 175.17 177.08 1xq5 h LEU 77 N 6.99 0.36 -0.07 -1.34 3.38 -1.74 -2.73 115.31 120.16 1xq5 h LEU 77 Ca 0.05 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1xq5 h LEU 77 Cb 1.09 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 1xq5 h LEU 77 CO 0.17 1.09 -0.32 0.78 0.09 0.00 0.00 178.44 180.24 1xq5 h ASN 78 N 0.16 -0.98 -0.69 -0.43 4.21 -1.89 -1.89 115.58 114.07 1xq5 h ASN 78 Ca -0.06 0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.57 1xq5 h ASN 78 Cb 1.52 0.41 -0.03 0.00 -1.12 0.00 0.00 38.32 39.10 1xq5 h ASN 78 CO 0.14 -0.37 0.35 0.00 -1.29 0.00 0.00 177.43 176.26 1xq5 h ALA 79 N 0.34 0.89 0.00 -0.83 0.00 -1.95 -3.10 119.26 114.61 1xq5 h ALA 79 Ca 0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1xq5 h ALA 79 Cb 0.55 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xq5 h ALA 79 CO -0.31 0.43 -0.51 0.78 0.00 0.00 0.00 179.25 179.64 1xq5 h GLY 80 N 0.95 0.00 -2.26 0.00 0.00 -1.16 -3.09 103.07 97.52 1xq5 h GLY 80 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1xq5 h GLY 80 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.55 1xq5 n LEU 81 N -3.62 4.37 -0.27 3.11 4.77 -0.74 -4.68 117.00 119.94 1xq5 n LEU 81 Ca -0.00 -2.79 -0.02 0.00 -0.03 0.00 0.00 56.01 53.16 1xq5 n LEU 81 Cb 0.58 -0.55 0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1xq5 n LEU 81 CO 0.40 0.69 1.16 0.25 -1.33 0.00 0.00 177.39 178.56 1xq5 h LEU 82 N 2.72 0.77 -0.21 2.23 6.46 -1.45 0.23 115.31 126.05 1xq5 h LEU 82 Ca 0.00 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1xq5 h LEU 82 Cb 1.50 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1xq5 h LEU 82 CO 0.27 0.52 0.04 0.00 -0.62 0.00 0.00 178.44 178.65 1xq5 h ALA 83 N 1.34 0.28 -0.35 1.25 0.00 -1.86 -0.96 119.26 118.96 1xq5 h ALA 83 Ca 0.32 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1xq5 h ALA 83 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xq5 h ALA 83 CO -0.13 -0.06 -0.12 -0.07 0.00 0.00 0.00 179.25 178.87 1xq5 h LEU 84 N 0.15 0.60 0.31 0.00 3.38 -1.82 -1.63 115.31 116.30 1xq5 h LEU 84 Ca 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xq5 h LEU 84 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xq5 h LEU 84 CO 0.00 0.75 -0.22 -1.28 0.09 0.00 0.00 178.44 177.79 1xq5 h SER 85 N 0.57 -0.55 -0.83 -0.43 0.87 -0.20 -0.74 113.55 112.23 1xq5 h SER 85 Ca 0.10 0.04 0.12 0.00 -1.23 0.00 0.00 61.79 60.82 1xq5 h SER 85 Cb 0.54 0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.58 1xq5 h SER 85 CO 0.03 -0.34 0.44 -0.33 -0.53 0.00 0.00 176.83 176.11 1xq5 h GLU 86 N -0.52 0.66 -0.35 2.24 4.39 -1.02 0.81 114.58 120.79 1xq5 h GLU 86 Ca -0.03 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.47 1xq5 h GLU 86 Cb 0.44 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1xq5 h GLU 86 CO 0.01 0.44 -0.43 1.25 -1.16 0.00 0.00 179.01 179.12 1xq5 h LEU 87 N 0.68 0.98 -0.88 1.33 5.85 -0.95 0.82 115.31 123.14 1xq5 h LEU 87 Ca 0.43 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1xq5 h LEU 87 Cb 0.53 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1xq5 h LEU 87 CO -0.31 1.27 -0.07 0.45 -0.34 0.00 0.00 178.44 179.44 1xq5 h HIS 88 N 0.71 0.00 0.00 1.25 3.86 -0.68 -1.48 115.15 118.81 1xq5 h HIS 88 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1xq5 h HIS 88 Cb 1.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.50 1xq5 h HIS 88 CO 0.07 0.07 -0.03 0.00 0.86 0.00 0.00 177.93 178.90 1xq5 h ALA 89 N 1.93 0.00 0.00 2.45 0.00 -0.55 0.18 119.26 123.28 1xq5 h ALA 89 Ca -0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 54.91 54.40 1xq5 h ALA 89 Cb 0.75 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1xq5 h ALA 89 CO 0.01 0.02 -2.40 1.19 0.00 0.00 0.00 179.25 178.07 1xq5 n PHE 90 N -4.73 0.00 0.08 0.00 3.01 0.26 -3.21 117.46 112.86 1xq5 n PHE 90 Ca -0.03 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.21 1xq5 n PHE 90 Cb 0.12 -0.96 -0.15 0.00 -0.01 0.00 0.00 39.48 38.48 1xq5 n PHE 90 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1xq5 h THR 91 N 0.00 1.34 0.00 4.37 2.02 -1.50 -3.37 112.91 115.76 1xq5 h THR 91 Ca -0.55 -2.58 -0.07 0.00 0.77 0.00 0.00 66.41 63.98 1xq5 h THR 91 Cb 1.95 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 71.41 1xq5 h THR 91 CO -0.06 0.76 -1.80 0.18 0.37 0.00 0.00 175.52 174.97 1xq5 n LEU 92 N -3.92 0.00 -3.18 2.58 4.77 -0.62 -5.06 117.00 111.57 1xq5 n LEU 92 Ca -0.17 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.56 1xq5 n LEU 92 Cb 0.95 0.09 0.03 0.00 -2.33 0.00 0.00 43.42 42.16 1xq5 n LEU 92 CO 0.53 0.09 -0.31 -1.14 -1.33 0.00 0.00 177.39 175.22 1xq5 n ARG 93 N -2.18 -1.30 -3.72 3.23 0.63 -1.19 -4.97 116.66 107.16 1xq5 n ARG 93 Ca -0.08 1.11 -0.36 0.00 -0.92 0.00 0.00 57.85 57.60 1xq5 n ARG 93 Cb 0.56 -1.53 -0.09 0.00 0.45 0.00 0.00 32.46 31.85 1xq5 n ARG 93 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1xq5 s VAL 94 N -1.19 5.30 -0.16 5.15 1.01 0.64 -5.01 120.40 126.13 1xq5 s VAL 94 Ca 0.25 0.15 -0.31 0.00 0.00 0.00 0.00 61.98 62.07 1xq5 s VAL 94 Cb -0.03 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 1xq5 s VAL 94 CO 0.56 0.39 2.10 -0.67 0.00 0.00 0.00 175.10 177.48 1xq5 n ASP 95 N 3.94 3.32 -0.33 3.32 -0.08 -1.26 -4.82 116.55 120.64 1xq5 n ASP 95 Ca -0.16 0.54 0.27 0.00 -1.51 0.00 0.00 54.79 53.93 1xq5 n ASP 95 Cb 0.52 -1.47 0.59 0.00 2.34 0.00 0.00 41.12 43.10 1xq5 n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xq5 h PRO 96 N 12.53 0.25 -0.96 -0.67 0.11 -1.96 0.33 132.00 141.63 1xq5 h PRO 96 Ca -0.42 -0.02 0.35 0.00 0.11 0.00 0.00 66.00 66.02 1xq5 h PRO 96 Cb 1.26 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 1xq5 h PRO 96 CO 0.96 0.17 0.59 0.00 -0.21 0.00 0.00 178.00 179.52 1xq5 n ALA 97 N -2.56 0.96 0.28 -0.75 0.00 -1.26 -1.65 120.51 115.53 1xq5 n ALA 97 Ca 0.26 0.68 0.12 0.00 0.00 0.00 0.00 53.44 54.50 1xq5 n ALA 97 Cb 1.01 -0.79 0.16 0.00 0.00 0.00 0.00 19.45 19.83 1xq5 n ALA 97 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xq5 h ASN 98 N 0.00 0.00 -0.98 0.00 2.35 -0.71 -3.34 115.58 112.90 1xq5 h ASN 98 Ca 0.65 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.42 1xq5 h ASN 98 Cb 2.01 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 40.32 1xq5 h ASN 98 CO -0.41 0.01 0.64 -0.26 -1.65 0.00 0.00 177.43 175.76 1xq5 h PHE 99 N 0.00 1.20 -0.37 1.19 0.04 -1.47 -1.84 116.94 115.69 1xq5 h PHE 99 Ca 0.00 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 1xq5 h PHE 99 Cb 0.94 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1xq5 h PHE 99 CO 0.00 0.70 -0.10 -0.22 -0.60 0.00 0.00 178.31 178.08 1xq5 h LYS 100 N 1.24 0.63 0.02 1.51 1.63 -1.75 -1.97 116.57 117.89 1xq5 h LYS 100 Ca 0.39 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1xq5 h LYS 100 Cb -0.01 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1xq5 h LYS 100 CO -0.12 0.73 -0.02 0.82 -3.45 0.00 0.00 179.45 177.41 1xq5 h ILE 101 N 0.58 0.96 -0.67 2.00 2.04 -1.52 -0.66 117.51 120.24 1xq5 h ILE 101 Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.03 1xq5 h ILE 101 Cb 0.52 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1xq5 h ILE 101 CO 0.03 0.00 0.37 0.25 0.00 0.00 0.00 178.15 178.80 1xq5 h LEU 102 N -0.04 0.53 -0.47 1.44 5.85 -1.27 -1.04 115.31 120.30 1xq5 h LEU 102 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1xq5 h LEU 102 Cb 0.04 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1xq5 h LEU 102 CO -0.00 0.33 0.25 0.28 -0.34 0.00 0.00 178.44 178.95 1xq5 h SER 103 N 0.66 0.59 -0.31 1.25 0.02 -1.12 -0.30 113.55 114.35 1xq5 h SER 103 Ca 0.31 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1xq5 h SER 103 Cb 0.23 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1xq5 h SER 103 CO -0.20 0.52 0.11 -0.74 -1.14 0.00 0.00 176.83 175.38 1xq5 h HIS 104 N 0.61 0.19 -0.37 3.45 -0.00 -0.70 -0.62 115.15 117.71 1xq5 h HIS 104 Ca 0.16 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.48 1xq5 h HIS 104 Cb 0.07 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 1xq5 h HIS 104 CO -0.02 0.09 -0.06 0.00 -0.00 0.00 0.00 177.93 177.94 1xq5 h ILE 106 N 0.58 1.13 -0.59 0.00 2.04 -0.77 -0.88 117.51 119.02 1xq5 h ILE 106 Ca 0.11 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1xq5 h ILE 106 Cb 0.46 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1xq5 h ILE 106 CO 0.02 0.13 0.24 -0.07 0.00 0.00 0.00 178.15 178.47 1xq5 h LEU 107 N 0.37 0.80 -0.38 1.44 3.38 -0.53 -0.13 115.31 120.27 1xq5 h LEU 107 Ca 0.11 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xq5 h LEU 107 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1xq5 h LEU 107 CO -0.02 0.75 0.24 0.58 0.09 0.00 0.00 178.44 180.08 1xq5 h VAL 108 N 0.81 1.07 -0.40 1.22 2.07 -0.67 -1.19 116.25 119.16 1xq5 h VAL 108 Ca 0.20 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1xq5 h VAL 108 Cb 0.19 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1xq5 h VAL 108 CO -0.02 0.09 0.24 0.25 0.02 0.00 0.00 177.57 178.15 1xq5 h LEU 109 N 0.49 0.48 -0.72 2.57 7.12 -0.77 -2.53 115.31 121.94 1xq5 h LEU 109 Ca 0.14 -0.05 0.07 0.00 0.13 0.00 0.00 57.88 58.17 1xq5 h LEU 109 Cb -0.03 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 39.92 1xq5 h LEU 109 CO -0.05 0.39 0.40 -0.07 -0.13 0.00 0.00 178.44 178.98 1xq5 h LEU 110 N 0.52 0.59 -1.55 2.25 3.38 -0.84 -2.52 115.31 117.14 1xq5 h LEU 110 Ca 0.14 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1xq5 h LEU 110 Cb -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xq5 h LEU 110 CO -0.03 0.37 -0.23 0.00 0.09 0.00 0.00 178.44 178.64 1xq5 h ALA 111 N 1.38 1.38 0.00 1.53 0.00 -0.81 0.60 119.26 123.34 1xq5 h ALA 111 Ca 0.33 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1xq5 h ALA 111 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xq5 h ALA 111 CO -0.20 0.29 -0.47 -0.39 0.00 0.00 0.00 179.25 178.48 1xq5 h VAL 112 N 0.00 1.02 0.02 0.00 -1.51 -1.12 -3.07 116.25 111.58 1xq5 h VAL 112 Ca -0.00 -1.81 -0.37 0.00 -1.23 0.00 0.00 66.70 63.28 1xq5 h VAL 112 Cb 0.49 2.08 -0.06 0.00 -2.13 0.00 0.00 31.29 31.66 1xq5 h VAL 112 CO 0.03 0.46 -2.33 1.17 -1.23 0.00 0.00 177.57 175.66 1xq5 n LYS 113 N -3.52 0.67 -2.75 5.19 3.00 -0.69 -4.69 118.16 115.37 1xq5 n LYS 113 Ca -0.00 0.13 -0.21 0.00 -0.00 0.00 0.00 58.31 58.22 1xq5 n LYS 113 Cb 0.58 -1.57 -0.01 0.00 0.00 0.00 0.00 35.03 34.04 1xq5 n LYS 113 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1xq5 n PHE 114 N -3.12 2.50 0.03 5.64 3.72 0.20 -4.93 117.46 121.50 1xq5 n PHE 114 Ca -0.38 -3.37 0.04 0.00 -0.05 0.00 0.00 57.45 53.69 1xq5 n PHE 114 Cb 1.05 -0.31 0.44 0.00 -0.94 0.00 0.00 39.48 39.72 1xq5 n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xq5 h PRO 115 N 2.85 0.47 0.00 -1.08 0.13 -1.72 -0.50 132.00 132.15 1xq5 h PRO 115 Ca 0.13 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1xq5 h PRO 115 Cb 0.89 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1xq5 h PRO 115 CO 0.70 0.34 0.00 0.87 -0.23 0.00 0.00 178.00 179.68 1xq5 h LYS 116 N 0.48 0.00 -0.00 0.86 1.57 -1.91 -0.94 116.57 116.62 1xq5 h LYS 116 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1xq5 h LYS 116 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xq5 h LYS 116 CO -0.02 0.00 -0.09 -0.25 -0.57 0.00 0.00 179.45 178.52 1xq5 n ASP 117 N -3.00 0.24 -3.81 0.86 10.43 -0.19 -4.30 116.55 116.78 1xq5 n ASP 117 Ca -0.02 -0.24 -0.41 0.00 2.57 0.00 0.00 54.79 56.69 1xq5 n ASP 117 Cb 0.13 -0.18 0.01 0.00 1.84 0.00 0.00 41.12 42.92 1xq5 n ASP 117 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1xq5 n PHE 118 N -1.19 2.52 -1.97 1.24 3.01 -0.36 -4.56 117.46 116.16 1xq5 n PHE 118 Ca 0.13 -2.64 -0.32 0.00 1.01 0.00 0.00 57.45 55.63 1xq5 n PHE 118 Cb 0.28 -1.19 0.01 0.00 -0.01 0.00 0.00 39.48 38.57 1xq5 n PHE 118 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1xq5 s THR 119 N -3.45 4.32 0.33 4.37 -4.23 -1.26 -4.83 115.64 110.88 1xq5 s THR 119 Ca 0.35 0.91 0.06 0.00 -1.18 0.00 0.00 61.69 61.83 1xq5 s THR 119 Cb 0.11 -3.62 0.31 0.00 1.34 0.00 0.00 72.50 70.64 1xq5 s THR 119 CO 0.00 -0.83 1.86 -0.65 -0.54 0.00 0.00 174.62 174.47 1xq5 h PRO 120 N 0.05 0.77 -0.44 3.99 0.11 -1.99 -1.57 132.00 132.92 1xq5 h PRO 120 Ca -0.45 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1xq5 h PRO 120 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1xq5 h PRO 120 CO 0.60 0.51 -0.25 0.93 -0.21 0.00 0.00 178.00 179.58 1xq5 h GLU 121 N 0.80 0.93 -0.03 1.05 5.08 -1.97 -0.91 114.58 119.53 1xq5 h GLU 121 Ca 0.46 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xq5 h GLU 121 Cb 0.62 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xq5 h GLU 121 CO -0.22 1.07 0.01 0.28 -1.00 0.00 0.00 179.01 179.15 1xq5 h VAL 122 N 0.80 1.16 -0.66 3.13 2.07 -1.83 -2.61 116.25 118.30 1xq5 h VAL 122 Ca 0.10 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.22 1xq5 h VAL 122 Cb 0.82 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 1xq5 h VAL 122 CO 0.07 0.13 0.32 -0.74 0.02 0.00 0.00 177.57 177.37 1xq5 h HIS 123 N -0.15 0.57 -0.70 1.57 -0.00 -1.21 -0.00 115.15 115.23 1xq5 h HIS 123 Ca 0.01 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.53 1xq5 h HIS 123 Cb 0.20 -0.16 -0.08 0.00 -0.00 0.00 0.00 27.41 27.37 1xq5 h HIS 123 CO -0.01 0.21 0.28 0.97 -0.00 0.00 0.00 177.93 179.38 1xq5 h ILE 124 N 0.56 0.72 -0.47 6.26 6.09 -1.10 0.17 117.51 129.74 1xq5 h ILE 124 Ca 0.32 -0.16 -0.05 0.00 -1.37 0.00 0.00 64.86 63.60 1xq5 h ILE 124 Cb 0.32 0.23 -0.02 0.00 0.47 0.00 0.00 36.82 37.82 1xq5 h ILE 124 CO -0.25 0.08 0.09 0.28 -3.07 0.00 0.00 178.15 175.28 1xq5 h SER 125 N 0.45 0.73 -0.52 2.19 0.02 -0.77 -2.18 113.55 113.47 1xq5 h SER 125 Ca 0.37 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1xq5 h SER 125 Cb 0.50 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1xq5 h SER 125 CO -0.35 0.79 0.14 1.88 -1.14 0.00 0.00 176.83 178.15 1xq5 h TYR 126 N 0.64 0.85 -0.76 3.45 0.05 -0.47 -1.42 116.97 119.31 1xq5 h TYR 126 Ca 0.14 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 1xq5 h TYR 126 Cb 0.36 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 1xq5 h TYR 126 CO 0.02 0.74 0.34 0.22 -1.05 0.00 0.00 178.16 178.44 1xq5 h ASP 127 N 0.71 1.01 -0.52 3.88 3.58 -0.59 -0.60 116.42 123.89 1xq5 h ASP 127 Ca 0.16 -0.15 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 1xq5 h ASP 127 Cb 0.31 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1xq5 h ASP 127 CO -0.00 0.88 -0.10 0.11 -2.88 0.00 0.00 179.24 177.25 1xq5 h LYS 128 N 1.07 0.99 0.14 0.28 1.57 -1.01 -0.41 116.57 119.20 1xq5 h LYS 128 Ca 0.26 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1xq5 h LYS 128 Cb 0.16 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xq5 h LYS 128 CO -0.03 1.04 -0.07 0.35 -0.57 0.00 0.00 179.45 180.18 1xq5 h PHE 129 N 0.85 -0.17 0.00 -1.35 3.57 -0.99 -0.87 116.94 117.98 1xq5 h PHE 129 Ca 0.13 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1xq5 h PHE 129 Cb 0.66 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1xq5 h PHE 129 CO 0.05 -0.10 -0.24 0.74 -2.23 0.00 0.00 178.31 176.52 1xq5 h PHE 130 N -0.19 0.00 -0.28 0.41 0.04 -0.97 0.11 116.94 116.07 1xq5 h PHE 130 Ca -0.02 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.59 1xq5 h PHE 130 Cb 0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 1xq5 h PHE 130 CO -0.07 0.24 -0.46 0.77 -0.60 0.00 0.00 178.31 178.20 1xq5 h SER 131 N 0.00 0.88 -0.53 2.17 0.02 -0.88 -1.43 113.55 113.78 1xq5 h SER 131 Ca -0.00 -0.52 -0.07 0.00 -0.84 0.00 0.00 61.79 60.36 1xq5 h SER 131 Cb 0.46 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1xq5 h SER 131 CO 0.03 1.24 0.09 0.00 -1.14 0.00 0.00 176.83 177.05 1xq5 h ALA 132 N 0.67 1.08 -0.13 3.77 0.00 -0.35 -1.21 119.26 123.09 1xq5 h ALA 132 Ca 0.02 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1xq5 h ALA 132 Cb 1.06 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1xq5 h ALA 132 CO 0.11 0.60 -0.24 1.25 0.00 0.00 0.00 179.25 180.96 1xq5 h LEU 133 N 0.88 -0.76 -0.23 0.00 7.12 -0.72 -0.16 115.31 121.45 1xq5 h LEU 133 Ca 0.18 0.12 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 1xq5 h LEU 133 Cb 0.38 0.33 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 1xq5 h LEU 133 CO 0.01 -0.29 0.08 0.00 -0.13 0.00 0.00 178.44 178.11 1xq5 h ALA 134 N 0.63 0.30 -0.95 1.25 0.00 -0.88 -0.93 119.26 118.67 1xq5 h ALA 134 Ca 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xq5 h ALA 134 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1xq5 h ALA 134 CO -0.30 -0.10 0.59 0.00 0.00 0.00 0.00 179.25 179.44 1xq5 h ARG 135 N 0.21 1.28 -0.87 0.00 2.47 -1.15 0.72 114.38 117.03 1xq5 h ARG 135 Ca 0.07 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1xq5 h ARG 135 Cb 0.20 -0.28 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 1xq5 h ARG 135 CO -0.00 0.88 0.48 0.00 0.56 0.00 0.00 179.97 181.88 1xq5 h ALA 136 N 1.35 1.20 0.00 0.04 0.00 -0.43 -1.88 119.26 119.53 1xq5 h ALA 136 Ca 0.34 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1xq5 h ALA 136 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1xq5 h ALA 136 CO -0.07 0.65 -0.21 -0.07 0.00 0.00 0.00 179.25 179.55 1xq5 h LEU 137 N 1.22 0.00 -0.08 0.00 3.38 -0.13 -2.87 115.31 116.82 1xq5 h LEU 137 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1xq5 h LEU 137 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xq5 h LEU 137 CO -0.05 0.21 -0.09 0.00 0.09 0.00 0.00 178.44 178.60 1xq5 n ALA 138 N -2.17 2.65 -0.11 1.53 0.00 0.14 -4.34 120.51 118.20 1xq5 n ALA 138 Ca 0.02 -0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.31 1xq5 n ALA 138 Cb 0.52 -1.40 0.37 0.00 0.00 0.00 0.00 19.45 18.94 1xq5 n ALA 138 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xq5 h GLU 139 N 0.20 0.68 -0.64 0.00 4.39 -1.21 -2.74 114.58 115.26 1xq5 h GLU 139 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1xq5 h GLU 139 Cb 0.38 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1xq5 h GLU 139 CO 0.00 0.45 0.00 1.63 -1.16 0.00 0.00 179.01 179.93 1xq5 n LYS 140 N -4.46 3.60 0.10 2.33 4.76 -1.26 -4.27 118.16 118.96 1xq5 n LYS 140 Ca 0.07 -2.59 -0.05 0.00 -2.87 0.00 0.00 58.31 52.88 1xq5 n LYS 140 Cb 0.14 -1.89 0.07 0.00 -1.84 0.00 0.00 35.03 31.52 1xq5 n LYS 140 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1xq5 h TYR 141 N 3.64 0.20 0.00 2.13 -1.99 -1.79 -3.47 116.97 115.69 1xq5 h TYR 141 Ca 0.00 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1xq5 h TYR 141 Cb 1.40 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1xq5 h TYR 141 CO 0.74 0.82 0.00 2.89 -0.00 0.00 0.00 178.16 182.60