#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 1.69 -0.26 2.03 0.00 -1.26 -5.04 115.29 112.46 1iur s HIS 2 Ca 0.00 1.73 -0.04 0.00 -3.00 0.00 0.00 55.06 53.76 1iur s HIS 2 Cb 0.00 -3.44 0.14 0.00 -4.00 0.00 0.00 32.58 25.29 1iur s HIS 2 CO 0.00 -2.87 0.47 -1.58 -1.00 0.00 0.00 174.74 169.76 1iur s HIS 3 N -2.36 -1.08 0.09 0.38 5.04 -1.26 -4.98 115.29 111.12 1iur s HIS 3 Ca 0.71 1.34 0.00 0.00 -1.54 0.00 0.00 55.06 55.57 1iur s HIS 3 Cb -0.26 0.30 0.00 0.00 0.04 0.00 0.00 32.58 32.65 1iur s HIS 3 CO 0.54 -0.71 0.00 0.72 -2.34 0.00 0.00 174.74 172.94 1iur n HIS 4 N 5.40 -2.54 -3.05 3.88 -0.00 -1.26 -5.07 115.22 112.58 1iur n HIS 4 Ca -0.05 0.28 -0.16 0.00 -0.00 0.00 0.00 57.72 57.80 1iur n HIS 4 Cb 0.50 1.09 -0.04 0.00 -0.00 0.00 0.00 29.99 31.54 1iur n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1iur n HIS 5 N -2.69 -2.26 0.23 4.41 -0.00 -1.26 -4.97 115.22 108.68 1iur n HIS 5 Ca 0.00 -2.41 0.00 0.00 0.46 0.00 0.00 57.72 55.77 1iur n HIS 5 Cb 0.00 0.81 0.00 0.00 -0.12 0.00 0.00 29.99 30.68 1iur n HIS 5 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1iur n HIS 6 N 2.54 -4.57 -2.98 1.57 -0.00 -1.26 -5.09 115.22 105.43 1iur n HIS 6 Ca 0.22 1.53 -0.42 0.00 -0.00 0.00 0.00 57.72 59.04 1iur n HIS 6 Cb 0.54 3.77 -0.05 0.00 -0.00 0.00 0.00 29.99 34.24 1iur n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1iur s HIS 7 N -1.94 3.11 1.15 4.41 5.65 -1.26 -5.05 115.29 121.36 1iur s HIS 7 Ca 0.00 0.49 -0.13 0.00 0.25 0.00 0.00 55.06 55.67 1iur s HIS 7 Cb 0.00 -3.38 0.27 0.00 -1.18 0.00 0.00 32.58 28.29 1iur s HIS 7 CO 0.00 -0.74 1.04 -0.51 -0.65 0.00 0.00 174.74 173.88 1iur s LEU 8 N 3.05 0.85 0.06 8.88 2.01 -1.26 -4.97 118.68 127.30 1iur s LEU 8 Ca 0.30 1.35 -0.20 0.00 0.01 0.00 0.00 54.13 55.59 1iur s LEU 8 Cb -0.13 -3.28 -0.06 0.00 0.01 0.00 0.00 46.19 42.73 1iur s LEU 8 CO 0.17 -4.03 0.57 -0.69 1.01 0.00 0.00 176.35 173.38 1iur s VAL 9 N -2.60 4.78 0.22 -1.59 1.01 -1.26 -4.99 120.40 115.97 1iur s VAL 9 Ca 0.68 1.22 -0.08 0.00 0.00 0.00 0.00 61.98 63.79 1iur s VAL 9 Cb -0.23 -3.90 0.17 0.00 0.00 0.00 0.00 36.38 32.42 1iur s VAL 9 CO 0.63 0.53 1.72 -0.65 0.00 0.00 0.00 175.10 177.33 1iur h PRO 10 N 4.77 0.34 -2.71 2.72 0.11 -2.04 -3.46 132.00 131.72 1iur h PRO 10 Ca -0.49 -0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.23 1iur h PRO 10 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1iur h PRO 10 CO 0.65 0.22 -0.49 0.54 -0.21 0.00 0.00 178.00 178.71 1iur n ARG 11 N -5.06 -1.56 0.00 1.05 1.74 -1.26 -4.43 116.66 107.14 1iur n ARG 11 Ca 0.10 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1iur n ARG 11 Cb 0.33 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 1iur n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iur n GLY 12 N -1.03 -0.03 3.15 -0.13 0.00 -1.26 -5.06 105.19 100.84 1iur n GLY 12 Ca -0.22 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.79 1iur n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iur s SER 13 N -4.00 -0.84 0.05 1.61 0.01 -1.26 -5.07 113.70 104.20 1iur s SER 13 Ca 0.00 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1iur s SER 13 Cb 0.00 1.59 0.00 0.00 0.21 0.00 0.00 66.02 67.82 1iur s SER 13 CO 0.00 -0.15 0.00 -0.38 0.41 0.00 0.00 173.24 173.12 1iur n ILE 14 N 5.31 0.20 -0.11 1.44 2.08 -1.26 -4.67 119.36 122.36 1iur n ILE 14 Ca 0.03 0.07 -0.10 0.00 0.56 0.00 0.00 62.75 63.31 1iur n ILE 14 Cb 0.55 -0.76 -0.03 0.00 -0.75 0.00 0.00 39.64 38.65 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 0.49 -1.84 1.39 -0.00 -1.97 -2.62 115.31 110.75 1iur h LEU 15 Ca 0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 57.88 57.63 1iur h LEU 15 Cb 0.00 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.53 1iur h LEU 15 CO 0.00 0.60 -0.01 0.07 -0.00 0.00 0.00 178.44 179.10 1iur h LYS 16 N 0.35 0.08 -0.10 1.13 2.10 -1.98 -1.34 116.57 116.82 1iur h LYS 16 Ca 0.10 -0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.66 1iur h LYS 16 Cb 0.30 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1iur h LYS 16 CO 0.00 0.10 -0.31 1.49 -2.00 0.00 0.00 179.45 178.74 1iur h GLU 17 N 0.08 0.18 0.00 0.07 4.57 -1.74 -2.54 114.58 115.21 1iur h GLU 17 Ca 0.02 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.02 1iur h GLU 17 Cb 0.08 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1iur h GLU 17 CO 0.00 0.48 -0.56 0.28 -1.18 0.00 0.00 179.01 178.03 1iur h VAL 18 N 0.16 1.17 0.00 0.32 2.07 -1.07 -2.21 116.25 116.68 1iur h VAL 18 Ca 0.02 -2.10 -0.16 0.00 0.82 0.00 0.00 66.70 65.29 1iur h VAL 18 Cb 0.63 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1iur h VAL 18 CO 0.05 0.55 -0.75 0.74 0.02 0.00 0.00 177.57 178.18 1iur h THR 19 N 0.00 1.49 0.22 2.57 2.02 -1.24 -2.24 112.91 115.74 1iur h THR 19 Ca -0.01 -2.61 -0.33 0.00 0.77 0.00 0.00 66.41 64.23 1iur h THR 19 Cb 1.17 2.42 0.03 0.00 -1.74 0.00 0.00 68.15 70.03 1iur h THR 19 CO 0.07 0.74 -1.54 -1.28 0.37 0.00 0.00 175.52 173.88 1iur h SER 20 N 0.00 0.72 -0.38 4.18 0.87 -1.41 -3.09 113.55 114.44 1iur h SER 20 Ca -0.01 -0.85 -0.12 0.00 -1.23 0.00 0.00 61.79 59.58 1iur h SER 20 Cb 1.36 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1iur h SER 20 CO 0.10 1.68 -0.23 -0.37 -0.53 0.00 0.00 176.83 177.49 1iur h VAL 21 N 0.13 1.28 -0.39 2.23 -1.51 -1.45 -2.30 116.25 114.23 1iur h VAL 21 Ca -0.27 -1.37 -0.02 0.00 -1.23 0.00 0.00 66.70 63.81 1iur h VAL 21 Cb 2.13 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 32.62 1iur h VAL 21 CO 0.24 0.45 0.15 1.62 -1.23 0.00 0.00 177.57 178.80 1iur h VAL 22 N 0.62 1.20 -0.42 7.19 3.04 -1.53 0.89 116.25 127.23 1iur h VAL 22 Ca 0.08 -0.62 -0.05 0.00 -1.01 0.00 0.00 66.70 65.09 1iur h VAL 22 Cb 0.79 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.92 1iur h VAL 22 CO 0.06 0.22 0.05 1.05 -1.01 0.00 0.00 177.57 177.95 1iur h GLU 23 N 0.49 0.66 0.02 4.17 4.11 -1.53 -2.50 114.58 119.99 1iur h GLU 23 Ca 0.13 -0.14 -0.25 0.00 0.07 0.00 0.00 59.36 59.17 1iur h GLU 23 Cb 0.20 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1iur h GLU 23 CO -0.01 0.64 -1.29 1.96 0.07 0.00 0.00 179.01 180.38 1iur h GLN 24 N 0.63 0.04 0.00 1.06 4.20 -1.14 -3.29 115.11 116.62 1iur h GLN 24 Ca 0.14 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1iur h GLN 24 Cb 0.32 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1iur h GLN 24 CO 0.01 0.87 -0.09 0.00 -0.67 0.00 0.00 178.83 178.95 1iur h ALA 25 N 0.92 1.12 -0.39 3.87 0.00 0.11 -2.16 119.26 122.73 1iur h ALA 25 Ca -0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1iur h ALA 25 Cb 1.88 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1iur h ALA 25 CO 0.12 0.11 0.04 1.87 0.00 0.00 0.00 179.25 181.39 1iur n TRP 26 N -3.36 1.38 -0.01 0.00 -0.00 -0.97 -3.84 117.44 110.63 1iur n TRP 26 Ca -0.01 -0.55 0.02 0.00 -0.00 0.00 0.00 57.50 56.96 1iur n TRP 26 Cb 0.26 -0.40 -0.07 0.00 -0.00 0.00 0.00 31.31 31.11 1iur n TRP 26 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1iur n LYS 27 N 0.29 0.92 -3.42 5.87 4.76 -0.81 -5.03 118.16 120.75 1iur n LYS 27 Ca 0.20 -0.06 -0.19 0.00 -2.87 0.00 0.00 58.31 55.39 1iur n LYS 27 Cb 0.89 -1.21 -0.01 0.00 -1.84 0.00 0.00 35.03 32.86 1iur n LYS 27 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1iur s LEU 28 N -3.89 3.77 1.07 -0.35 0.05 -1.25 -5.11 118.68 112.96 1iur s LEU 28 Ca -0.04 -0.36 -0.16 0.00 0.05 0.00 0.00 54.13 53.63 1iur s LEU 28 Cb 0.05 -2.56 0.23 0.00 -2.05 0.00 0.00 46.19 41.85 1iur s LEU 28 CO 0.36 -0.53 1.14 -2.16 -0.55 0.00 0.00 176.35 174.61 1iur s PRO 29 N -4.19 -0.16 0.60 1.48 0.04 -1.26 -4.44 135.00 127.07 1iur s PRO 29 Ca 0.47 0.10 0.29 0.00 0.04 0.00 0.00 61.00 61.90 1iur s PRO 29 Cb -0.08 -1.70 1.55 0.00 0.04 0.00 0.00 34.50 34.30 1iur s PRO 29 CO 0.30 -3.04 1.95 1.05 0.04 0.00 0.00 177.00 177.31 1iur h GLU 30 N -2.10 0.00 0.51 4.56 9.09 -1.96 0.52 114.58 125.20 1iur h GLU 30 Ca -0.49 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.90 1iur h GLU 30 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1iur h GLU 30 CO 0.46 0.00 -0.25 0.77 0.05 0.00 0.00 179.01 180.04 1iur h SER 31 N 0.00 -0.60 0.57 3.06 0.02 -2.00 -2.20 113.55 112.41 1iur h SER 31 Ca 0.15 0.02 -0.28 0.00 -0.84 0.00 0.00 61.79 60.84 1iur h SER 31 Cb 0.92 0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.63 1iur h SER 31 CO -0.00 -0.42 -1.29 -0.33 -1.14 0.00 0.00 176.83 173.65 1iur h GLU 32 N -0.69 0.31 -0.16 3.45 5.08 -1.81 -3.32 114.58 117.43 1iur h GLU 32 Ca -0.07 -0.53 0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1iur h GLU 32 Cb 0.53 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 1iur h GLU 32 CO 0.11 1.25 -0.28 -0.09 -1.00 0.00 0.00 179.01 179.00 1iur h ARG 33 N 0.08 -0.32 -0.10 2.33 2.43 -0.05 0.33 114.38 119.08 1iur h ARG 33 Ca -0.16 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1iur h ARG 33 Cb 2.00 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1iur h ARG 33 CO 0.21 -0.21 0.10 0.87 -1.51 0.00 0.00 179.97 179.43 1iur h LYS 34 N -0.33 0.00 0.00 0.20 1.57 -1.52 0.95 116.57 117.44 1iur h LYS 34 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1iur h LYS 34 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1iur h LYS 34 CO -0.35 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.16 1iur n LYS 35 N -3.87 0.31 -0.07 3.15 5.02 0.08 -2.18 118.16 120.61 1iur n LYS 35 Ca -0.01 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 1iur n LYS 35 Cb 0.21 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.57 1iur n LYS 35 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1iur n ILE 36 N -1.33 1.53 0.07 -0.18 2.08 0.32 -4.04 119.36 117.81 1iur n ILE 36 Ca 0.12 -0.76 -0.22 0.00 0.56 0.00 0.00 62.75 62.45 1iur n ILE 36 Cb 0.23 -1.00 -0.15 0.00 -0.75 0.00 0.00 39.64 37.98 1iur n ILE 36 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1iur h ILE 37 N 0.01 0.96 0.00 1.39 5.03 -1.55 -3.18 117.51 120.18 1iur h ILE 37 Ca -0.46 -2.56 -0.01 0.00 -0.12 0.00 0.00 64.86 61.71 1iur h ILE 37 Cb 2.08 2.75 -0.00 0.00 -3.03 0.00 0.00 36.82 38.63 1iur h ILE 37 CO 0.03 0.85 -0.05 0.03 -0.68 0.00 0.00 178.15 178.33 1iur h ARG 38 N 0.10 0.00 0.08 2.37 3.08 -1.66 0.92 114.38 119.28 1iur h ARG 38 Ca -0.33 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.61 1iur h ARG 38 Cb 2.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 32.15 1iur h ARG 38 CO 0.17 0.05 -0.51 -0.09 -1.07 0.00 0.00 179.97 178.53 1iur h ARG 39 N 0.00 0.17 0.01 0.04 1.12 -1.70 -2.72 114.38 111.31 1iur h ARG 39 Ca -0.00 -0.30 -0.20 0.00 -1.11 0.00 0.00 59.98 58.37 1iur h ARG 39 Cb 0.11 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1iur h ARG 39 CO 0.01 1.14 -0.91 -0.07 -3.11 0.00 0.00 179.97 177.02 1iur h LEU 40 N -0.63 0.23 -0.59 3.80 -0.00 -1.47 -3.09 115.31 113.57 1iur h LEU 40 Ca -0.09 -0.20 -0.15 0.00 -0.00 0.00 0.00 57.88 57.44 1iur h LEU 40 Cb 1.38 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.96 1iur h LEU 40 CO 0.08 1.02 -0.59 0.22 -0.00 0.00 0.00 178.44 179.18 1iur h TYR 41 N 0.09 0.48 -0.87 1.13 5.03 0.74 -2.48 116.97 121.09 1iur h TYR 41 Ca -0.05 -0.18 -0.43 0.00 2.58 0.00 0.00 58.73 60.65 1iur h TYR 41 Cb 1.56 -0.09 -0.26 0.00 1.55 0.00 0.00 36.73 39.50 1iur h TYR 41 CO 0.03 0.87 0.55 1.28 -1.32 0.00 0.00 178.16 179.57 1iur n LEU 42 N -3.91 6.30 0.00 2.82 4.77 -1.02 -4.07 117.00 121.89 1iur n LEU 42 Ca -0.03 -3.35 0.00 0.00 -0.03 0.00 0.00 56.01 52.60 1iur n LEU 42 Cb 0.62 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1iur n LEU 42 CO 0.46 0.97 -0.17 1.17 -1.33 0.00 0.00 177.39 178.48 1iur n LYS 43 N -0.87 0.00 -1.08 3.23 0.00 -1.14 -4.82 118.16 113.47 1iur n LYS 43 Ca 0.52 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.61 1iur n LYS 43 Cb 1.53 -0.48 0.15 0.00 0.00 0.00 0.00 35.03 36.23 1iur n LYS 43 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1iur n TRP 44 N -2.16 2.70 -3.15 5.64 7.02 -0.95 -4.88 117.44 121.65 1iur n TRP 44 Ca 0.00 -1.75 -0.40 0.00 -1.02 0.00 0.00 57.50 54.33 1iur n TRP 44 Cb 0.17 -0.89 -0.06 0.00 -2.42 0.00 0.00 31.31 28.11 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 -2.91 3.35 0.36 -5.99 2.46 -1.26 -4.39 115.29 106.91 1iur s HIS 45 Ca 0.50 0.85 0.10 0.00 0.47 0.00 0.00 55.06 56.98 1iur s HIS 45 Cb 0.42 -2.77 0.86 0.00 -0.13 0.00 0.00 32.58 30.96 1iur s HIS 45 CO 0.09 -0.20 1.85 -1.35 -2.47 0.00 0.00 174.74 172.67 1iur h PRO 46 N 7.60 0.63 0.00 2.88 0.11 -1.88 0.01 132.00 141.36 1iur h PRO 46 Ca -0.31 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.60 1iur h PRO 46 Cb 1.14 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1iur h PRO 46 CO 0.76 0.42 -0.79 0.22 -0.21 0.00 0.00 178.00 178.40 1iur h ASP 47 N 0.65 0.00 -0.85 -2.05 3.58 -1.95 -3.22 116.42 112.58 1iur h ASP 47 Ca 0.47 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.35 1iur h ASP 47 Cb 0.83 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.63 1iur h ASP 47 CO -0.22 0.79 0.74 1.17 -2.88 0.00 0.00 179.24 178.83 1iur n LYS 48 N -3.59 2.41 -4.18 0.28 0.00 -0.03 -4.92 118.16 108.13 1iur n LYS 48 Ca -0.01 -2.79 -0.18 0.00 0.00 0.00 0.00 58.31 55.34 1iur n LYS 48 Cb 0.76 -2.09 -0.12 0.00 0.00 0.00 0.00 35.03 33.58 1iur n LYS 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1iur s ASN 49 N -1.24 1.68 0.07 3.14 0.01 -1.08 -4.70 114.94 112.81 1iur s ASN 49 Ca 0.55 -0.66 -0.28 0.00 -0.71 0.00 0.00 52.86 51.75 1iur s ASN 49 Cb 0.43 -0.04 -0.13 0.00 0.41 0.00 0.00 41.25 41.92 1iur s ASN 49 CO -0.00 -0.11 1.44 -0.65 -1.51 0.00 0.00 177.10 176.27 1iur h PRO 50 N 4.11 -0.75 0.00 -0.60 0.11 -1.91 -3.45 132.00 129.52 1iur h PRO 50 Ca -0.40 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1iur h PRO 50 Cb 1.19 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1iur h PRO 50 CO 0.43 -0.50 0.00 0.39 -0.21 0.00 0.00 178.00 178.11 1iur n GLU 51 N -4.85 0.00 -1.54 1.05 1.02 -1.26 -5.03 120.64 110.03 1iur n GLU 51 Ca -0.09 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.87 1iur n GLU 51 Cb 0.36 -0.24 -0.12 0.00 -0.02 0.00 0.00 31.44 31.42 1iur n GLU 51 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1iur n ASN 52 N -1.87 0.77 0.01 1.62 6.94 -1.26 -4.65 115.26 116.82 1iur n ASN 52 Ca 0.00 -1.11 0.08 0.00 -0.02 0.00 0.00 54.58 53.54 1iur n ASN 52 Cb 0.00 -1.29 -0.12 0.00 -2.36 0.00 0.00 39.78 36.01 1iur n ASN 52 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iur n HIS 53 N 14.29 0.30 -0.04 -2.53 1.44 -1.26 -4.05 115.22 123.37 1iur n HIS 53 Ca 0.54 0.09 -0.06 0.00 -2.01 0.00 0.00 57.72 56.27 1iur n HIS 53 Cb 0.33 -0.70 -0.05 0.00 0.12 0.00 0.00 29.99 29.70 1iur n HIS 53 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 1iur h ASP 54 N 0.00 -0.03 -0.21 4.39 5.19 -1.97 -3.14 116.42 120.64 1iur h ASP 54 Ca -0.06 -0.38 0.06 0.00 -0.62 0.00 0.00 57.03 56.03 1iur h ASP 54 Cb 1.15 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 1iur h ASP 54 CO 0.01 0.64 0.24 0.40 -3.12 0.00 0.00 179.24 177.41 1iur h ILE 55 N -0.99 0.45 -0.03 0.35 2.04 -1.97 0.01 117.51 117.36 1iur h ILE 55 Ca -0.00 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 1iur h ILE 55 Cb 0.41 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1iur h ILE 55 CO 0.01 0.00 -0.85 0.00 0.00 0.00 0.00 178.15 177.30 1iur h ALA 56 N 1.72 0.47 -0.19 1.87 0.00 -1.70 -3.22 119.26 118.21 1iur h ALA 56 Ca 0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1iur h ALA 56 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1iur h ALA 56 CO -0.00 0.81 0.03 -0.91 0.00 0.00 0.00 179.25 179.18 1iur h ASN 57 N 0.23 0.30 -0.61 0.00 4.21 -0.94 0.37 115.58 119.15 1iur h ASN 57 Ca -0.06 -0.26 0.12 0.00 1.21 0.00 0.00 56.30 57.32 1iur h ASN 57 Cb 1.46 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 38.55 1iur h ASN 57 CO 0.14 0.48 0.41 1.05 -1.29 0.00 0.00 177.43 178.23 1iur h GLU 58 N 0.10 0.29 0.08 0.81 4.11 -1.58 0.58 114.58 118.98 1iur h GLU 58 Ca 0.06 -0.02 -0.32 0.00 0.07 0.00 0.00 59.36 59.15 1iur h GLU 58 Cb 0.31 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1iur h GLU 58 CO 0.00 0.19 -1.74 0.28 0.07 0.00 0.00 179.01 177.81 1iur h VAL 59 N 0.30 0.87 0.00 -1.06 2.07 -1.51 -3.33 116.25 113.59 1iur h VAL 59 Ca 0.29 -2.62 -0.12 0.00 0.82 0.00 0.00 66.70 65.07 1iur h VAL 59 Cb 0.72 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1iur h VAL 59 CO -0.07 0.74 -0.58 0.15 0.02 0.00 0.00 177.57 177.83 1iur h PHE 60 N 0.05 0.00 -0.00 1.57 3.57 0.63 -2.35 116.94 120.39 1iur h PHE 60 Ca -0.32 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.09 1iur h PHE 60 Cb 2.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.75 1iur h PHE 60 CO 0.05 0.58 -0.43 -0.22 -2.23 0.00 0.00 178.31 176.06 1iur h LYS 61 N 0.00 0.01 0.08 1.11 1.63 -0.00 -1.55 116.57 117.84 1iur h LYS 61 Ca -0.01 -0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.51 1iur h LYS 61 Cb 1.05 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 1iur h LYS 61 CO 0.08 0.44 -1.39 1.25 -3.45 0.00 0.00 179.45 176.37 1iur h HIS 62 N 0.01 0.30 0.36 1.91 2.76 -1.62 -3.13 115.15 115.73 1iur h HIS 62 Ca -0.00 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 57.93 1iur h HIS 62 Cb 0.76 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1iur h HIS 62 CO 0.00 1.23 -0.17 1.25 -1.30 0.00 0.00 177.93 178.94 1iur h LEU 63 N 0.04 -0.41 -1.97 0.26 5.85 -1.28 0.13 115.31 117.93 1iur h LEU 63 Ca -0.18 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.74 1iur h LEU 63 Cb 1.95 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 43.06 1iur h LEU 63 CO 0.15 -0.09 0.48 1.56 -0.34 0.00 0.00 178.44 180.19 1iur h GLN 64 N -0.87 0.02 0.14 1.25 4.20 -1.47 0.08 115.11 118.45 1iur h GLN 64 Ca -0.05 -0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.36 1iur h GLN 64 Cb 0.37 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1iur h GLN 64 CO 0.08 0.01 -1.40 -0.97 -0.67 0.00 0.00 178.83 175.88 1iur h ASN 65 N 0.02 0.45 0.04 1.46 -1.24 -1.57 -3.28 115.58 111.46 1iur h ASN 65 Ca 0.32 -0.54 -0.00 0.00 0.71 0.00 0.00 56.30 56.79 1iur h ASN 65 Cb 1.24 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 40.15 1iur h ASN 65 CO -0.01 1.43 -0.01 -0.33 -1.29 0.00 0.00 177.43 177.22 1iur h GLU 66 N 0.08 0.00 0.20 6.67 4.39 0.13 -2.58 114.58 123.47 1iur h GLU 66 Ca -0.20 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1iur h GLU 66 Cb 2.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 1iur h GLU 66 CO 0.19 0.01 -0.09 0.82 -1.16 0.00 0.00 179.01 178.78 1iur h ILE 67 N 0.00 0.00 -0.36 3.13 2.04 -1.52 -2.98 117.51 117.82 1iur h ILE 67 Ca -0.00 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 65.92 1iur h ILE 67 Cb 0.03 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1iur h ILE 67 CO 0.00 0.00 0.34 -0.55 0.00 0.00 0.00 178.15 177.94 1iur h ASN 68 N -0.31 0.00 -0.12 1.72 7.08 -1.70 0.30 115.58 122.55 1iur h ASN 68 Ca -0.03 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.21 1iur h ASN 68 Cb 0.20 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.42 1iur h ASN 68 CO 0.04 0.00 -0.02 -0.09 -2.08 0.00 0.00 177.43 175.29 1iur h ARG 69 N 0.00 0.02 0.01 4.14 2.43 -1.36 -1.67 114.38 117.94 1iur h ARG 69 Ca 0.17 -0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.05 1iur h ARG 69 Cb 0.84 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 1iur h ARG 69 CO -0.00 0.01 -1.67 -0.07 -1.51 0.00 0.00 179.97 176.73 1iur h LEU 70 N 0.02 0.03 -2.00 3.80 3.38 -1.16 -3.26 115.31 116.13 1iur h LEU 70 Ca 0.06 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1iur h LEU 70 Cb 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1iur h LEU 70 CO -0.11 1.06 0.06 -0.08 0.09 0.00 0.00 178.44 179.46 1iur h GLU 71 N 0.01 0.00 0.12 1.13 4.22 -0.38 0.32 114.58 119.99 1iur h GLU 71 Ca -0.27 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 58.96 1iur h GLU 71 Cb 2.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.26 1iur h GLU 71 CO 0.09 0.00 -1.01 -0.22 -2.18 0.00 0.00 179.01 175.69 1iur h LYS 72 N 0.00 0.25 0.00 1.92 3.64 -1.43 -3.32 116.57 117.62 1iur h LYS 72 Ca 0.04 -0.42 -0.07 0.00 -1.27 0.00 0.00 60.65 58.93 1iur h LYS 72 Cb 0.15 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1iur h LYS 72 CO -0.00 1.20 -0.33 1.96 -2.27 0.00 0.00 179.45 180.01 1iur h GLN 73 N -0.42 0.00 -1.17 1.90 4.20 -1.49 -2.72 115.11 115.41 1iur h GLN 73 Ca -0.20 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.93 1iur h GLN 73 Cb 1.63 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 29.17 1iur h GLN 73 CO 0.09 0.33 0.75 0.00 -0.67 0.00 0.00 178.83 179.32 1iur n ALA 74 N -2.46 6.00 0.00 3.87 0.00 0.11 -4.27 120.51 123.75 1iur n ALA 74 Ca -0.02 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.46 1iur n ALA 74 Cb 0.37 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.54 -0.74 -2.42 0.00 7.35 -1.07 -4.94 117.46 115.11 1iur n PHE 75 Ca 0.53 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.79 1iur n PHE 75 Cb 0.63 0.36 0.00 0.00 0.35 0.00 0.00 39.48 40.82 1iur n PHE 75 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1iur n LEU 76 N -2.23 5.71 0.00 -2.13 4.32 -1.05 -3.84 117.00 117.78 1iur n LEU 76 Ca 0.00 -4.19 0.00 0.00 -0.02 0.00 0.00 56.01 51.80 1iur n LEU 76 Cb 0.00 -1.66 0.00 0.00 -1.62 0.00 0.00 43.42 40.14 1iur n LEU 76 CO 0.00 0.68 0.00 -0.67 -1.22 0.00 0.00 177.39 176.18 1iur n ASP 77 N 6.62 0.00 -2.96 -1.43 2.03 -1.26 -4.99 116.55 114.56 1iur n ASP 77 Ca 0.46 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.55 1iur n ASP 77 Cb 0.42 0.18 0.04 0.00 -0.72 0.00 0.00 41.12 41.04 1iur n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iur n GLN 78 N -1.80 -4.82 -3.86 -0.67 1.13 -1.25 -4.96 117.38 101.16 1iur n GLN 78 Ca 0.00 0.91 -0.32 0.00 -1.94 0.00 0.00 57.00 55.64 1iur n GLN 78 Cb 0.00 -5.74 -0.12 0.00 0.11 0.00 0.00 30.24 24.49 1iur n GLN 78 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1iur s ASN 79 N -2.70 4.70 -0.44 1.08 3.04 -1.26 -4.92 114.94 114.43 1iur s ASN 79 Ca 0.30 -3.03 0.03 0.00 0.04 0.00 0.00 52.86 50.20 1iur s ASN 79 Cb -0.13 -1.72 0.59 0.00 -1.54 0.00 0.00 41.25 38.45 1iur s ASN 79 CO 0.37 -0.27 1.87 0.00 -3.04 0.00 0.00 177.10 176.03 1iur n ALA 80 N 3.15 5.46 -0.51 1.71 0.00 -1.26 -4.56 120.51 124.49 1iur n ALA 80 Ca 0.07 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1iur n ALA 80 Cb 0.34 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1iur n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iur n ASP 81 N -0.99 0.00 -1.42 0.00 8.00 -1.26 -5.13 116.55 115.76 1iur n ASP 81 Ca 0.56 0.00 0.19 0.00 0.71 0.00 0.00 54.79 56.24 1iur n ASP 81 Cb 1.48 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 42.43 1iur n ASP 81 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1iur n ARG 82 N -1.82 -2.93 -2.95 -1.24 0.63 -1.26 -4.85 116.66 102.24 1iur n ARG 82 Ca 0.00 2.05 -0.14 0.00 -0.92 0.00 0.00 57.85 58.84 1iur n ARG 82 Cb 0.00 -3.54 0.03 0.00 0.45 0.00 0.00 32.46 29.39 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 -2.69 0.54 0.00 5.13 0.00 -1.26 -5.02 120.51 117.22 1iur n ALA 83 Ca -0.01 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.03 1iur n ALA 83 Cb 0.67 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1iur n ALA 83 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iur n SER 84 N 0.50 0.00 -2.31 0.00 7.64 -1.26 -4.70 113.62 113.48 1iur n SER 84 Ca 0.15 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.02 1iur n SER 84 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1iur n SER 84 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1iur n ARG 85 N 0.00 -2.14 0.00 1.43 0.63 -1.26 -5.04 116.66 110.29 1iur n ARG 85 Ca 0.00 1.91 0.00 0.00 -0.92 0.00 0.00 57.85 58.84 1iur n ARG 85 Cb 0.00 -3.96 0.00 0.00 0.45 0.00 0.00 32.46 28.95 1iur n ARG 85 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1iur n ARG 86 N 0.28 0.00 -1.48 -0.14 1.85 -1.26 -5.16 116.66 110.75 1iur n ARG 86 Ca 0.02 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.92 1iur n ARG 86 Cb 0.07 -0.45 -0.03 0.00 -1.05 0.00 0.00 32.46 30.99 1iur n ARG 86 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1iur n THR 87 N -2.31 -2.24 0.07 8.89 -2.24 -1.26 -5.32 114.28 109.86 1iur n THR 87 Ca 0.00 1.26 0.01 0.00 -2.27 0.00 0.00 64.05 63.05 1iur n THR 87 Cb 0.21 -2.06 0.03 0.00 -2.10 0.00 0.00 70.33 66.41 1iur n THR 87 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99