#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iur s HIS 2 N 0.00 0.54 0.00 2.03 0.00 -1.26 -4.96 115.29 111.63 1iur s HIS 2 Ca 0.00 -0.38 0.00 0.00 -3.00 0.00 0.00 55.06 51.68 1iur s HIS 2 Cb 0.00 -0.79 0.00 0.00 -4.00 0.00 0.00 32.58 27.79 1iur s HIS 2 CO 0.00 -0.46 0.00 1.58 -1.00 0.00 0.00 174.74 174.86 1iur n HIS 3 N 5.18 -0.55 -3.05 0.38 -0.00 -1.26 -5.03 115.22 110.90 1iur n HIS 3 Ca -0.07 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.95 1iur n HIS 3 Cb 0.49 0.41 -0.03 0.00 -0.12 0.00 0.00 29.99 30.73 1iur n HIS 3 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1iur n HIS 4 N -2.32 -2.16 -3.72 1.57 -0.00 -1.26 -5.11 115.22 102.22 1iur n HIS 4 Ca 0.00 -2.48 -0.11 0.00 0.46 0.00 0.00 57.72 55.59 1iur n HIS 4 Cb 0.00 0.76 -0.12 0.00 -0.12 0.00 0.00 29.99 30.51 1iur n HIS 4 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1iur s HIS 5 N 0.19 -0.47 -0.04 1.57 3.76 -1.26 -5.03 115.29 114.00 1iur s HIS 5 Ca 0.32 1.06 0.07 0.00 -0.15 0.00 0.00 55.06 56.36 1iur s HIS 5 Cb 0.09 0.17 0.14 0.00 1.11 0.00 0.00 32.58 34.08 1iur s HIS 5 CO -0.15 -0.28 1.09 1.58 -0.85 0.00 0.00 174.74 176.14 1iur n HIS 6 N 4.05 -0.19 -3.56 1.40 -0.00 -1.26 -5.12 115.22 110.54 1iur n HIS 6 Ca -0.23 -0.68 -0.36 0.00 -0.00 0.00 0.00 57.72 56.46 1iur n HIS 6 Cb 0.55 0.48 -0.06 0.00 -0.00 0.00 0.00 29.99 30.96 1iur n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1iur s HIS 7 N -0.10 3.62 0.00 1.57 3.76 -1.26 -5.00 115.29 117.89 1iur s HIS 7 Ca 0.08 0.84 0.00 0.00 -0.15 0.00 0.00 55.06 55.83 1iur s HIS 7 Cb 0.13 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.63 1iur s HIS 7 CO -0.05 0.55 0.00 1.28 -0.85 0.00 0.00 174.74 175.67 1iur n LEU 8 N 1.14 0.00 -0.09 0.89 4.32 -1.26 -5.03 117.00 116.98 1iur n LEU 8 Ca -0.10 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.67 1iur n LEU 8 Cb 0.52 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.20 1iur n LEU 8 CO 0.41 0.00 -0.65 0.52 -1.22 0.00 0.00 177.39 176.45 1iur n VAL 9 N -0.53 1.58 -2.21 4.08 0.31 -1.26 -4.99 118.33 115.32 1iur n VAL 9 Ca 0.00 -0.18 -0.27 0.00 -0.01 0.00 0.00 64.34 63.88 1iur n VAL 9 Cb 0.00 -1.97 0.16 0.00 -0.91 0.00 0.00 33.84 31.13 1iur n VAL 9 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1iur s PRO 10 N -2.41 0.93 -0.56 5.55 0.04 -1.26 -5.06 135.00 132.22 1iur s PRO 10 Ca -0.28 -0.76 0.05 0.00 0.04 0.00 0.00 61.00 60.04 1iur s PRO 10 Cb 0.07 -2.03 0.19 0.00 0.04 0.00 0.00 34.50 32.77 1iur s PRO 10 CO 0.62 -2.11 0.48 0.54 0.04 0.00 0.00 177.00 176.57 1iur n ARG 11 N -3.44 1.25 0.00 4.56 5.12 -1.26 -4.78 116.66 118.12 1iur n ARG 11 Ca 0.16 -3.93 0.00 0.00 -1.93 0.00 0.00 57.85 52.15 1iur n ARG 11 Cb 0.60 -1.95 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1iur n ARG 11 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iur n GLY 12 N 2.02 2.59 2.66 -0.13 0.00 -1.26 -4.80 105.19 106.28 1iur n GLY 12 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 1iur n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iur n SER 13 N 0.00 -7.16 0.00 1.61 7.64 -1.26 -5.02 113.62 109.43 1iur n SER 13 Ca 0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1iur n SER 13 Cb 0.00 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 58.39 1iur n SER 13 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1iur n ILE 14 N -0.27 0.00 -0.06 0.44 2.08 -1.26 -4.76 119.36 115.53 1iur n ILE 14 Ca 0.10 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.26 1iur n ILE 14 Cb 0.37 -0.78 -0.07 0.00 -0.75 0.00 0.00 39.64 38.42 1iur n ILE 14 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1iur h LEU 15 N 0.00 0.70 -1.94 1.39 -0.00 -1.96 -2.95 115.31 110.55 1iur h LEU 15 Ca 0.00 -0.56 0.01 0.00 -0.00 0.00 0.00 57.88 57.33 1iur h LEU 15 Cb 0.29 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1iur h LEU 15 CO 0.00 1.14 0.07 0.07 -0.00 0.00 0.00 178.44 179.71 1iur h LYS 16 N 0.29 0.07 -0.01 1.13 2.10 -1.99 -0.40 116.57 117.77 1iur h LYS 16 Ca -0.00 -0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.48 1iur h LYS 16 Cb 1.04 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 1iur h LYS 16 CO 0.09 0.05 -0.76 1.49 -2.00 0.00 0.00 179.45 178.33 1iur h GLU 17 N 0.08 0.06 0.00 0.07 4.57 -1.84 -2.92 114.58 114.60 1iur h GLU 17 Ca 0.04 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 1iur h GLU 17 Cb 0.07 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1iur h GLU 17 CO -0.01 0.78 -0.79 0.28 -1.18 0.00 0.00 179.01 178.10 1iur h VAL 18 N 0.03 1.17 0.00 0.32 2.07 -1.02 -2.94 116.25 115.88 1iur h VAL 18 Ca -0.01 -2.68 -0.05 0.00 0.82 0.00 0.00 66.70 64.78 1iur h VAL 18 Cb 1.33 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 1iur h VAL 18 CO 0.10 0.66 -0.23 0.74 0.02 0.00 0.00 177.57 178.87 1iur h THR 19 N 0.00 0.42 0.13 2.57 2.02 -1.10 -1.92 112.91 115.03 1iur h THR 19 Ca -0.03 -1.44 -0.34 0.00 0.77 0.00 0.00 66.41 65.38 1iur h THR 19 Cb 1.57 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 70.04 1iur h THR 19 CO 0.09 0.22 -1.78 0.28 0.37 0.00 0.00 175.52 174.70 1iur h SER 20 N 0.00 0.42 1.07 4.18 0.02 -1.55 -3.28 113.55 114.41 1iur h SER 20 Ca -0.00 -0.74 -0.17 0.00 -0.84 0.00 0.00 61.79 60.03 1iur h SER 20 Cb 1.06 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1iur h SER 20 CO 0.03 1.65 -0.81 1.62 -1.14 0.00 0.00 176.83 178.18 1iur h VAL 21 N 0.07 1.44 -0.17 2.27 3.04 -1.58 -2.84 116.25 118.48 1iur h VAL 21 Ca -0.34 -2.90 -0.12 0.00 -1.01 0.00 0.00 66.70 62.32 1iur h VAL 21 Cb 2.05 2.63 -0.01 0.00 -2.01 0.00 0.00 31.29 33.94 1iur h VAL 21 CO 0.13 0.79 -0.42 1.62 -1.01 0.00 0.00 177.57 178.68 1iur h VAL 22 N 0.00 1.31 0.00 1.51 3.04 -1.50 -2.40 116.25 118.22 1iur h VAL 22 Ca -0.01 -1.58 -0.19 0.00 -1.01 0.00 0.00 66.70 63.91 1iur h VAL 22 Cb 1.56 1.64 -0.03 0.00 -2.01 0.00 0.00 31.29 32.46 1iur h VAL 22 CO 0.10 0.48 -0.96 1.05 -1.01 0.00 0.00 177.57 177.24 1iur h GLU 23 N 0.33 0.00 -0.18 4.17 4.11 -1.62 -3.26 114.58 118.13 1iur h GLU 23 Ca 0.03 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.29 1iur h GLU 23 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1iur h GLU 23 CO 0.07 0.78 -0.56 1.96 0.07 0.00 0.00 179.01 181.33 1iur h GLN 24 N 0.00 0.56 -0.30 1.06 1.08 -1.38 -3.11 115.11 113.02 1iur h GLN 24 Ca -0.04 -0.36 -0.08 0.00 -1.45 0.00 0.00 58.65 56.72 1iur h GLN 24 Cb 1.68 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 29.14 1iur h GLN 24 CO 0.10 0.97 -0.14 0.00 -0.95 0.00 0.00 178.83 178.81 1iur h ALA 25 N 0.95 1.19 -0.28 3.87 0.00 -1.51 -2.55 119.26 120.93 1iur h ALA 25 Ca 0.01 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1iur h ALA 25 Cb 1.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1iur h ALA 25 CO 0.11 0.52 0.30 2.35 0.00 0.00 0.00 179.25 182.53 1iur h TRP 26 N 0.48 0.00 -0.12 0.00 2.91 -1.58 0.33 115.95 117.97 1iur h TRP 26 Ca 0.09 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.14 1iur h TRP 26 Cb 0.53 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.18 1iur h TRP 26 CO 0.02 0.00 0.09 0.87 -1.03 0.00 0.00 178.44 178.39 1iur h LYS 27 N 0.00 0.00 -6.77 2.65 1.79 -1.57 -3.42 116.57 109.25 1iur h LYS 27 Ca 0.13 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.10 1iur h LYS 27 Cb 0.73 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 1iur h LYS 27 CO -0.00 0.00 0.08 -0.51 -1.08 0.00 0.00 179.45 177.94 1iur s LEU 28 N -8.68 3.92 0.00 2.94 1.43 0.10 -5.04 118.68 113.35 1iur s LEU 28 Ca -0.05 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1iur s LEU 28 Cb 0.17 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1iur s LEU 28 CO 0.65 -0.32 0.73 -0.81 0.23 0.00 0.00 176.35 176.83 1iur n PRO 29 N -0.98 0.00 0.00 1.29 -0.04 -1.26 -4.59 135.00 129.42 1iur n PRO 29 Ca 0.02 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1iur n PRO 29 Cb 0.54 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1iur n PRO 29 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iur n GLU 30 N -1.30 0.00 -0.02 0.54 0.28 -1.26 -4.77 120.64 114.11 1iur n GLU 30 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1iur n GLU 30 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1iur n GLU 30 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1iur h SER 31 N 0.00 -0.41 1.01 -1.84 0.02 -2.00 0.97 113.55 111.31 1iur h SER 31 Ca 0.00 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1iur h SER 31 Cb 0.00 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1iur h SER 31 CO 0.00 -0.17 -1.03 -0.33 -1.14 0.00 0.00 176.83 174.16 1iur h GLU 32 N -0.14 0.00 0.22 3.45 5.08 -1.93 -3.34 114.58 117.93 1iur h GLU 32 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1iur h GLU 32 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1iur h GLU 32 CO -0.24 0.16 -0.11 -0.09 -1.00 0.00 0.00 179.01 177.73 1iur h ARG 33 N 0.00 -0.29 -0.08 2.33 1.12 -1.71 -2.98 114.38 112.78 1iur h ARG 33 Ca -0.06 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1iur h ARG 33 Cb 1.26 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 31.28 1iur h ARG 33 CO 0.02 0.04 0.08 0.87 -3.11 0.00 0.00 179.97 177.87 1iur h LYS 34 N -0.65 0.00 -0.25 0.20 6.56 -0.98 -1.20 116.57 120.26 1iur h LYS 34 Ca -0.03 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.63 1iur h LYS 34 Cb 0.46 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 1iur h LYS 34 CO 0.05 0.00 0.18 0.87 -2.06 0.00 0.00 179.45 178.49 1iur h LYS 35 N 0.00 0.00 0.01 3.15 1.57 -1.63 0.65 116.57 120.32 1iur h LYS 35 Ca 0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.52 1iur h LYS 35 Cb 0.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1iur h LYS 35 CO -0.00 0.00 -1.74 -0.89 -0.57 0.00 0.00 179.45 176.25 1iur n ILE 36 N -4.41 1.63 0.05 1.86 -0.00 -0.46 -3.06 119.36 114.96 1iur n ILE 36 Ca 0.03 -0.78 -0.20 0.00 -0.00 0.00 0.00 62.75 61.80 1iur n ILE 36 Cb 0.33 -1.12 -0.12 0.00 -0.00 0.00 0.00 39.64 38.74 1iur n ILE 36 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1iur h ILE 37 N 0.01 1.35 -0.12 1.39 1.08 -1.17 -3.12 117.51 116.92 1iur h ILE 37 Ca -0.30 -2.28 -0.15 0.00 -0.39 0.00 0.00 64.86 61.74 1iur h ILE 37 Cb 2.02 2.63 -0.01 0.00 -3.07 0.00 0.00 36.82 38.38 1iur h ILE 37 CO 0.08 0.68 -0.55 0.03 -0.69 0.00 0.00 178.15 177.70 1iur h ARG 38 N 0.12 0.35 0.61 2.37 3.08 0.09 -0.97 114.38 120.04 1iur h ARG 38 Ca -0.13 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 1iur h ARG 38 Cb 1.64 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.71 1iur h ARG 38 CO 0.18 0.82 -0.32 0.00 -1.07 0.00 0.00 179.97 179.58 1iur h ARG 39 N 0.27 -0.83 -0.46 0.04 3.08 -1.61 0.30 114.38 115.18 1iur h ARG 39 Ca 0.00 0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1iur h ARG 39 Cb 1.06 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1iur h ARG 39 CO 0.09 -0.55 -0.19 -0.07 -1.07 0.00 0.00 179.97 178.18 1iur h LEU 40 N -0.86 0.96 -1.95 3.04 -0.00 -1.59 0.82 115.31 115.73 1iur h LEU 40 Ca -0.08 -0.39 0.01 0.00 -0.00 0.00 0.00 57.88 57.41 1iur h LEU 40 Cb 0.67 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1iur h LEU 40 CO 0.12 1.14 0.05 0.22 -0.00 0.00 0.00 178.44 179.97 1iur h TYR 41 N 0.78 0.06 0.00 1.13 5.03 -1.09 0.48 116.97 123.37 1iur h TYR 41 Ca 0.10 0.00 -0.35 0.00 2.58 0.00 0.00 58.73 61.06 1iur h TYR 41 Cb 0.76 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.96 1iur h TYR 41 CO 0.05 0.04 -2.22 1.28 -1.32 0.00 0.00 178.16 175.99 1iur n LEU 42 N -4.52 0.55 0.04 2.82 4.77 0.09 -4.17 117.00 116.57 1iur n LEU 42 Ca -0.02 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 1iur n LEU 42 Cb 0.11 0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1iur n LEU 42 CO 0.34 0.52 0.29 0.50 -1.33 0.00 0.00 177.39 177.72 1iur h LYS 43 N 0.00 0.48 -1.13 3.23 3.11 0.10 -3.20 116.57 119.17 1iur h LYS 43 Ca -0.48 -0.42 -0.57 0.00 -2.81 0.00 0.00 60.65 56.36 1iur h LYS 43 Cb 2.16 0.10 -0.25 0.00 -1.00 0.00 0.00 32.23 33.23 1iur h LYS 43 CO 0.03 1.06 0.74 0.91 -2.81 0.00 0.00 179.45 179.38 1iur n TRP 44 N -3.83 2.78 -3.26 1.91 7.02 0.16 -4.81 117.44 117.41 1iur n TRP 44 Ca -0.05 -2.66 -0.38 0.00 -1.02 0.00 0.00 57.50 53.38 1iur n TRP 44 Cb 0.75 -1.28 -0.06 0.00 -2.42 0.00 0.00 31.31 28.29 1iur n TRP 44 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1iur s HIS 45 N -3.26 3.49 0.31 -5.99 2.46 -1.21 -4.84 115.29 106.24 1iur s HIS 45 Ca 0.55 0.91 0.05 0.00 0.47 0.00 0.00 55.06 57.04 1iur s HIS 45 Cb 0.44 -2.61 0.68 0.00 -0.13 0.00 0.00 32.58 30.96 1iur s HIS 45 CO 0.00 0.09 1.83 -1.35 -2.47 0.00 0.00 174.74 172.84 1iur h PRO 46 N 6.91 0.82 -0.22 2.88 0.11 -1.91 0.23 132.00 140.82 1iur h PRO 46 Ca -0.39 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1iur h PRO 46 Cb 1.17 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1iur h PRO 46 CO 0.75 0.54 -0.23 -0.44 -0.21 0.00 0.00 178.00 178.42 1iur h ASP 47 N 0.85 0.40 0.05 -2.05 5.19 -1.94 -2.96 116.42 115.96 1iur h ASP 47 Ca 0.51 -0.12 -0.23 0.00 -0.62 0.00 0.00 57.03 56.57 1iur h ASP 47 Cb 0.68 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 40.09 1iur h ASP 47 CO -0.28 0.64 -0.86 0.11 -3.12 0.00 0.00 179.24 175.73 1iur h LYS 48 N 0.36 0.63 -7.12 3.56 1.79 -1.36 -3.45 116.57 110.99 1iur h LYS 48 Ca 0.06 -0.58 -0.48 0.00 -2.18 0.00 0.00 60.65 57.47 1iur h LYS 48 Cb 0.60 0.14 0.05 0.00 -1.58 0.00 0.00 32.23 31.44 1iur h LYS 48 CO 0.04 1.19 0.39 -0.80 -1.08 0.00 0.00 179.45 179.19 1iur s ASN 49 N -7.12 6.06 0.08 0.86 0.01 -0.31 -4.99 114.94 109.53 1iur s ASN 49 Ca -0.08 1.93 -0.28 0.00 -0.71 0.00 0.00 52.86 53.71 1iur s ASN 49 Cb 0.09 -2.55 -0.13 0.00 0.41 0.00 0.00 41.25 39.06 1iur s ASN 49 CO 0.89 -0.98 1.45 -0.65 -1.51 0.00 0.00 177.10 176.30 1iur h PRO 50 N 1.13 -0.67 -0.97 -0.60 0.11 -1.87 -3.43 132.00 125.70 1iur h PRO 50 Ca -0.49 0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1iur h PRO 50 Cb 1.23 0.15 -0.19 0.00 0.11 0.00 0.00 31.00 32.30 1iur h PRO 50 CO 0.58 -0.45 -0.43 -1.83 -0.21 0.00 0.00 178.00 175.66 1iur s GLU 51 N -5.25 0.77 -0.38 1.05 -1.05 -1.26 -5.06 118.70 107.52 1iur s GLU 51 Ca -0.14 -0.18 0.02 0.00 -0.15 0.00 0.00 54.97 54.52 1iur s GLU 51 Cb 0.04 0.11 0.15 0.00 -0.44 0.00 0.00 34.13 33.99 1iur s GLU 51 CO 0.48 -1.14 0.26 0.54 0.95 0.00 0.00 175.26 176.36 1iur s ASN 52 N 1.95 2.50 0.00 0.83 4.22 -1.26 -4.95 114.94 118.22 1iur s ASN 52 Ca 0.15 -2.56 0.27 0.00 -2.14 0.00 0.00 52.86 48.59 1iur s ASN 52 Cb -0.04 -0.47 0.97 0.00 1.28 0.00 0.00 41.25 42.99 1iur s ASN 52 CO -0.09 -0.25 1.71 0.00 -2.04 0.00 0.00 177.10 176.43 1iur n HIS 53 N 3.55 0.00 0.00 1.54 1.44 -1.26 -3.38 115.22 117.11 1iur n HIS 53 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 1iur n HIS 53 Cb 0.41 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.27 1iur n HIS 53 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1iur n ASP 54 N -1.13 0.23 0.06 4.39 9.92 -1.26 -4.37 116.55 124.39 1iur n ASP 54 Ca 0.11 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.41 1iur n ASP 54 Cb 0.31 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 41.26 1iur n ASP 54 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1iur h ILE 55 N 0.00 1.09 0.04 0.53 2.04 -1.96 -0.49 117.51 118.77 1iur h ILE 55 Ca 0.00 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1iur h ILE 55 Cb 0.98 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1iur h ILE 55 CO 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 178.15 178.22 1iur h ALA 56 N 1.79 -0.06 -0.96 1.87 0.00 -1.84 -3.12 119.26 116.94 1iur h ALA 56 Ca 0.11 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1iur h ALA 56 Cb -0.03 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1iur h ALA 56 CO -0.02 -0.09 0.61 -0.91 0.00 0.00 0.00 179.25 178.84 1iur h ASN 57 N -0.95 0.86 0.86 0.00 4.21 -1.73 0.93 115.58 119.76 1iur h ASN 57 Ca -0.01 0.04 -0.04 0.00 1.21 0.00 0.00 56.30 57.50 1iur h ASN 57 Cb 0.59 -0.13 0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1iur h ASN 57 CO 0.01 0.47 -0.41 -0.08 -1.29 0.00 0.00 177.43 176.12 1iur h GLU 58 N 0.92 -1.12 -0.46 0.81 4.81 -1.19 0.52 114.58 118.87 1iur h GLU 58 Ca 0.47 0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.77 1iur h GLU 58 Cb 0.50 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1iur h GLU 58 CO -0.23 -0.74 0.26 0.28 -0.73 0.00 0.00 179.01 177.85 1iur h VAL 59 N -1.16 1.14 -0.29 0.32 2.07 -1.41 -2.29 116.25 114.63 1iur h VAL 59 Ca -0.12 -0.33 -0.18 0.00 0.82 0.00 0.00 66.70 66.88 1iur h VAL 59 Cb 0.89 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1iur h VAL 59 CO 0.19 0.15 -0.54 0.15 0.02 0.00 0.00 177.57 177.55 1iur h PHE 60 N 0.64 1.11 -0.81 1.57 3.04 -0.61 0.13 116.94 122.02 1iur h PHE 60 Ca 0.17 -0.39 0.02 0.00 3.98 0.00 0.00 57.97 61.74 1iur h PHE 60 Cb 0.00 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.26 1iur h PHE 60 CO 0.00 1.22 0.53 0.87 -2.02 0.00 0.00 178.31 178.92 1iur h LYS 61 N 0.67 1.03 0.03 1.11 1.57 0.58 -0.14 116.57 121.43 1iur h LYS 61 Ca 0.02 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.50 1iur h LYS 61 Cb 1.15 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1iur h LYS 61 CO 0.12 0.68 -1.14 1.25 -0.57 0.00 0.00 179.45 179.79 1iur h HIS 62 N 1.06 0.13 -0.23 -1.35 2.76 -1.42 -2.49 115.15 113.62 1iur h HIS 62 Ca 0.30 -0.10 -0.08 0.00 -2.20 0.00 0.00 60.37 58.30 1iur h HIS 62 Cb -0.08 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1iur h HIS 62 CO -0.02 1.08 -0.19 1.25 -1.30 0.00 0.00 177.93 178.76 1iur h LEU 63 N 0.02 0.39 0.19 0.26 5.85 -0.30 -1.78 115.31 119.94 1iur h LEU 63 Ca -0.07 -0.11 -0.31 0.00 0.84 0.00 0.00 57.88 58.23 1iur h LEU 63 Cb 1.85 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 42.79 1iur h LEU 63 CO 0.14 0.59 -1.48 0.06 -0.34 0.00 0.00 178.44 177.41 1iur h GLN 64 N 0.36 0.40 -0.72 1.25 3.07 -1.09 -3.31 115.11 115.07 1iur h GLN 64 Ca 0.06 -0.68 0.01 0.00 0.09 0.00 0.00 58.65 58.13 1iur h GLN 64 Cb 0.54 0.25 -0.04 0.00 0.08 0.00 0.00 27.48 28.32 1iur h GLN 64 CO 0.04 1.33 0.48 -0.97 0.09 0.00 0.00 178.83 179.79 1iur h ASN 65 N -0.02 0.80 0.40 0.06 -1.24 -1.37 -0.80 115.58 113.40 1iur h ASN 65 Ca -0.28 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.68 1iur h ASN 65 Cb 2.00 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 40.85 1iur h ASN 65 CO 0.18 0.57 -0.14 -0.33 -1.29 0.00 0.00 177.43 176.42 1iur h GLU 66 N 0.95 0.00 0.44 6.67 4.39 -1.43 -2.90 114.58 122.69 1iur h GLU 66 Ca 0.27 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 1iur h GLU 66 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1iur h GLU 66 CO -0.06 0.14 -0.21 0.82 -1.16 0.00 0.00 179.01 178.54 1iur h ILE 67 N 0.00 0.00 -0.57 3.13 1.08 -1.22 -3.05 117.51 116.87 1iur h ILE 67 Ca -0.00 -0.14 0.17 0.00 -0.39 0.00 0.00 64.86 64.49 1iur h ILE 67 Cb 0.38 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 1iur h ILE 67 CO 0.02 0.00 0.46 -0.55 -0.69 0.00 0.00 178.15 177.39 1iur h ASN 68 N -0.74 0.00 -0.45 1.72 -1.07 -1.55 0.67 115.58 114.17 1iur h ASN 68 Ca -0.06 0.00 0.03 0.00 0.07 0.00 0.00 56.30 56.34 1iur h ASN 68 Cb 0.46 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.67 1iur h ASN 68 CO 0.10 0.00 0.24 -0.09 0.07 0.00 0.00 177.43 177.75 1iur h ARG 69 N 0.00 0.46 0.04 4.14 2.43 -1.41 -0.81 114.38 119.23 1iur h ARG 69 Ca 0.27 -0.03 -0.34 0.00 -0.81 0.00 0.00 59.98 59.07 1iur h ARG 69 Cb 1.20 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1iur h ARG 69 CO -0.00 0.30 -2.03 1.28 -1.51 0.00 0.00 179.97 178.01 1iur n LEU 70 N -4.88 1.68 0.26 3.80 4.77 -0.24 -3.57 117.00 118.82 1iur n LEU 70 Ca 0.03 0.20 0.17 0.00 -0.03 0.00 0.00 56.01 56.38 1iur n LEU 70 Cb 0.10 -0.40 0.87 0.00 -2.33 0.00 0.00 43.42 41.66 1iur n LEU 70 CO 0.30 0.65 1.02 -0.08 -1.33 0.00 0.00 177.39 177.95 1iur h GLU 71 N 0.03 0.00 0.00 3.23 4.22 0.30 0.24 114.58 122.59 1iur h GLU 71 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1iur h GLU 71 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1iur h GLU 71 CO 0.05 0.00 -0.59 1.17 -2.18 0.00 0.00 179.01 177.46 1iur n LYS 72 N -2.75 0.45 0.21 1.92 4.81 -0.32 -4.14 118.16 118.34 1iur n LYS 72 Ca -0.01 0.45 0.06 0.00 -0.87 0.00 0.00 58.31 57.94 1iur n LYS 72 Cb 0.12 -1.60 0.55 0.00 0.02 0.00 0.00 35.03 34.12 1iur n LYS 72 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1iur h GLN 73 N -0.96 0.07 -1.60 1.64 1.08 -1.60 -2.44 115.11 111.31 1iur h GLN 73 Ca 0.00 -0.01 -0.65 0.00 -1.45 0.00 0.00 58.65 56.55 1iur h GLN 73 Cb 0.59 -0.01 -0.25 0.00 -0.05 0.00 0.00 27.48 27.76 1iur h GLN 73 CO 0.00 0.13 0.82 0.00 -0.95 0.00 0.00 178.83 178.84 1iur n ALA 74 N -2.52 6.29 0.00 3.87 0.00 0.83 -3.83 120.51 125.15 1iur n ALA 74 Ca -0.02 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 49.97 1iur n ALA 74 Cb 0.16 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1iur n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1iur n PHE 75 N -0.35 -1.23 0.10 0.00 7.35 -0.97 -4.84 117.46 117.51 1iur n PHE 75 Ca 0.54 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 57.17 1iur n PHE 75 Cb 0.47 0.30 0.04 0.00 0.35 0.00 0.00 39.48 40.63 1iur n PHE 75 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1iur h LEU 76 N 0.00 0.12 -7.71 -2.13 4.07 -1.63 -3.39 115.31 104.64 1iur h LEU 76 Ca 0.00 -0.09 -0.74 0.00 0.08 0.00 0.00 57.88 57.13 1iur h LEU 76 Cb 0.00 -0.04 -0.31 0.00 1.08 0.00 0.00 40.66 41.39 1iur h LEU 76 CO 0.00 0.87 -0.19 -1.81 -1.08 0.00 0.00 178.44 176.23 1iur s ASP 77 N -6.85 5.88 -0.22 -0.43 1.01 -1.25 -4.75 116.67 110.07 1iur s ASP 77 Ca -0.02 -2.69 0.08 0.00 0.71 0.00 0.00 52.55 50.64 1iur s ASP 77 Cb 0.11 -2.01 0.26 0.00 1.01 0.00 0.00 42.92 42.29 1iur s ASP 77 CO 0.80 -0.49 1.31 0.00 0.21 0.00 0.00 175.17 177.01 1iur n GLN 78 N 3.84 0.87 -1.61 8.23 10.64 -1.26 -4.85 117.38 133.23 1iur n GLN 78 Ca 0.08 -1.08 -0.43 0.00 -1.83 0.00 0.00 57.00 53.75 1iur n GLN 78 Cb 0.42 0.44 -0.03 0.00 -0.86 0.00 0.00 30.24 30.20 1iur n GLN 78 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1iur s ASN 79 N -1.03 5.64 0.00 2.61 4.22 -1.26 -4.30 114.94 120.83 1iur s ASN 79 Ca 0.06 2.06 0.00 0.00 -2.14 0.00 0.00 52.86 52.83 1iur s ASN 79 Cb 0.29 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 40.30 1iur s ASN 79 CO -0.08 -1.79 0.00 0.00 -2.04 0.00 0.00 177.10 173.19 1iur n ALA 80 N 10.89 0.00 -3.78 3.54 0.00 -1.26 -5.09 120.51 124.81 1iur n ALA 80 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 1iur n ALA 80 Cb 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.73 1iur n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1iur s ASP 81 N -1.26 3.48 -0.09 0.00 1.11 -1.26 -4.98 116.67 113.67 1iur s ASP 81 Ca 0.00 -1.17 -0.06 0.00 0.18 0.00 0.00 52.55 51.50 1iur s ASP 81 Cb 0.00 -0.80 -0.04 0.00 1.07 0.00 0.00 42.92 43.14 1iur s ASP 81 CO 0.00 -0.33 -0.15 -1.14 1.18 0.00 0.00 175.17 174.74 1iur n ARG 82 N 4.90 0.23 -2.38 8.23 0.63 -1.26 -5.12 116.66 121.90 1iur n ARG 82 Ca -0.07 0.10 -0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1iur n ARG 82 Cb 0.45 -0.90 -0.00 0.00 0.45 0.00 0.00 32.46 32.46 1iur n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iur n ALA 83 N -3.60 -2.09 -0.02 5.13 0.00 -1.26 -5.03 120.51 113.64 1iur n ALA 83 Ca -0.18 0.60 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 1iur n ALA 83 Cb 0.55 -1.68 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1iur n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iur n SER 84 N 1.85 0.57 -1.63 0.00 2.88 -1.26 -5.12 113.62 110.92 1iur n SER 84 Ca -0.02 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1iur n SER 84 Cb 0.04 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1iur n SER 84 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iur n ARG 85 N -3.04 -4.50 -3.82 -1.46 3.00 -1.26 -5.02 116.66 100.56 1iur n ARG 85 Ca -0.03 3.25 -0.24 0.00 -0.01 0.00 0.00 57.85 60.81 1iur n ARG 85 Cb 0.13 -3.55 -0.17 0.00 0.00 0.00 0.00 32.46 28.87 1iur n ARG 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1iur s ARG 86 N -2.16 0.93 0.00 5.56 3.00 -1.26 -4.95 118.95 120.07 1iur s ARG 86 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 55.73 55.71 1iur s ARG 86 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 34.95 33.76 1iur s ARG 86 CO 0.00 -0.29 0.00 2.41 0.00 0.00 0.00 175.30 177.42 1iur n THR 87 N 5.08 0.00 -0.56 0.02 -1.04 -1.26 -5.37 114.28 111.14 1iur n THR 87 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1iur n THR 87 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1iur n THR 87 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76