#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiq s GLU 2 N 0.00 4.23 0.04 2.12 2.12 -1.25 -4.75 118.70 121.21 1xiq s GLU 2 Ca 0.00 2.29 0.05 0.00 0.36 0.00 0.00 54.97 57.68 1xiq s GLU 2 Cb 0.00 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1xiq s GLU 2 CO 0.00 -0.61 -0.11 0.15 -0.54 0.00 0.00 175.26 174.15 1xiq s LYS 3 N 1.55 2.30 0.08 4.30 3.01 -1.26 -1.25 119.74 128.46 1xiq s LYS 3 Ca 0.70 -0.88 0.04 0.00 -1.01 0.00 0.00 55.97 54.82 1xiq s LYS 3 Cb -0.41 -2.36 -0.03 0.00 -1.01 0.00 0.00 37.83 34.02 1xiq s LYS 3 CO 0.31 0.56 -0.11 0.45 0.51 0.00 0.00 175.35 177.06 1xiq s SER 4 N -1.66 1.48 -0.28 2.83 0.15 -0.27 -4.72 113.70 111.23 1xiq s SER 4 Ca 0.18 -0.71 -0.10 0.00 0.70 0.00 0.00 55.95 56.02 1xiq s SER 4 Cb -0.11 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1xiq s SER 4 CO 0.09 -0.18 0.16 0.12 1.20 0.00 0.00 173.24 174.63 1xiq s PHE 5 N -1.87 3.19 -0.13 3.44 5.36 -1.26 -1.79 117.98 124.91 1xiq s PHE 5 Ca 0.01 -0.02 0.03 0.00 -0.96 0.00 0.00 56.93 55.99 1xiq s PHE 5 Cb -0.06 -2.35 0.01 0.00 -0.34 0.00 0.00 43.02 40.27 1xiq s PHE 5 CO 0.01 -0.21 -0.22 0.42 -1.46 0.00 0.00 175.22 173.76 1xiq s ILE 6 N 1.73 2.12 -0.14 3.12 1.09 -0.67 -2.65 121.20 125.81 1xiq s ILE 6 Ca 0.07 -0.97 -0.00 0.00 -1.10 0.00 0.00 60.65 58.65 1xiq s ILE 6 Cb -0.16 -1.84 0.03 0.00 -1.06 0.00 0.00 42.46 39.43 1xiq s ILE 6 CO 0.09 0.55 -0.09 -0.32 -0.10 0.00 0.00 174.94 175.08 1xiq s MET 7 N 0.67 1.70 -0.35 2.79 1.75 -0.76 -0.48 119.30 124.62 1xiq s MET 7 Ca -0.10 -0.41 -0.29 0.00 -1.25 0.00 0.00 55.69 53.64 1xiq s MET 7 Cb -0.16 -1.84 -0.00 0.00 2.84 0.00 0.00 34.83 35.67 1xiq s MET 7 CO 0.02 -0.31 1.51 0.42 -0.65 0.00 0.00 175.02 176.01 1xiq s ILE 8 N 1.63 3.81 0.90 10.11 1.01 -0.44 -0.12 121.20 138.10 1xiq s ILE 8 Ca 0.04 0.86 -0.11 0.00 0.00 0.00 0.00 60.65 61.44 1xiq s ILE 8 Cb -0.13 -4.00 0.13 0.00 0.01 0.00 0.00 42.46 38.47 1xiq s ILE 8 CO -0.09 -0.57 1.11 -0.54 0.00 0.00 0.00 174.94 174.86 1xiq s LYS 9 N 4.93 1.22 0.30 2.79 3.01 0.48 -2.17 119.74 130.29 1xiq s LYS 9 Ca 0.66 1.23 0.05 0.00 -1.01 0.00 0.00 55.97 56.90 1xiq s LYS 9 Cb -0.18 -1.77 0.79 0.00 -1.01 0.00 0.00 37.83 35.66 1xiq s LYS 9 CO 0.31 -2.39 1.67 -1.35 0.51 0.00 0.00 175.35 174.10 1xiq h PRO 10 N -1.67 0.30 0.00 -1.68 0.11 -1.80 -0.20 132.00 127.05 1xiq h PRO 10 Ca -0.46 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1xiq h PRO 10 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xiq h PRO 10 CO 0.48 0.20 -0.31 0.38 -0.21 0.00 0.00 178.00 178.53 1xiq h ASP 11 N 0.31 0.00 -0.39 -2.05 2.03 -1.88 -0.37 116.42 114.07 1xiq h ASP 11 Ca 0.59 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.89 1xiq h ASP 11 Cb 1.20 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.68 1xiq h ASP 11 CO -0.60 0.31 0.24 1.23 -1.03 0.00 0.00 179.24 179.39 1xiq h GLY 12 N 1.05 0.56 1.46 7.15 0.00 -1.20 -2.52 103.07 109.57 1xiq h GLY 12 Ca -0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 1xiq h GLY 12 CO 0.04 0.22 -0.57 -2.08 0.00 0.00 0.00 176.54 174.15 1xiq h VAL 13 N 0.51 1.32 -0.47 4.60 2.07 -1.04 -1.75 116.25 121.49 1xiq h VAL 13 Ca 0.14 -1.83 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 1xiq h VAL 13 Cb -0.01 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1xiq h VAL 13 CO -0.03 0.57 -0.04 1.56 0.02 0.00 0.00 177.57 179.65 1xiq h GLN 14 N 0.42 0.82 -0.05 1.57 1.08 -1.09 -2.52 115.11 115.34 1xiq h GLN 14 Ca 0.00 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1xiq h GLN 14 Cb 1.12 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1xiq h GLN 14 CO 0.11 0.85 0.00 0.54 -0.95 0.00 0.00 178.83 179.37 1xiq n ARG 15 N -4.19 1.44 -3.18 1.46 1.74 -0.95 -4.94 116.66 108.03 1xiq n ARG 15 Ca 0.02 -0.65 -0.14 0.00 -0.77 0.00 0.00 57.85 56.31 1xiq n ARG 15 Cb 0.33 -1.43 0.07 0.00 -1.02 0.00 0.00 32.46 30.41 1xiq n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xiq n GLY 16 N 1.07 -0.35 0.39 -0.13 0.00 -0.95 -4.94 105.19 100.28 1xiq n GLY 16 Ca 0.19 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.33 1xiq n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xiq n LEU 17 N -3.56 2.42 0.42 0.99 4.77 -0.67 -4.72 117.00 116.66 1xiq n LEU 17 Ca -0.22 -1.84 -0.19 0.00 -0.03 0.00 0.00 56.01 53.74 1xiq n LEU 17 Cb 0.64 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1xiq n LEU 17 CO 0.52 0.59 0.57 0.58 -1.33 0.00 0.00 177.39 178.32 1xiq h VAL 18 N 1.30 0.09 0.01 4.08 2.07 -1.89 0.38 116.25 122.29 1xiq h VAL 18 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1xiq h VAL 18 Cb 0.59 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1xiq h VAL 18 CO 0.00 0.00 -0.38 1.23 0.02 0.00 0.00 177.57 178.44 1xiq h GLY 19 N -1.14 -0.69 0.01 2.17 0.00 -1.97 -1.57 103.07 99.88 1xiq h GLY 19 Ca -0.10 0.46 0.12 0.00 0.00 0.00 0.00 47.33 47.81 1xiq h GLY 19 CO 0.11 -0.25 0.01 -0.84 0.00 0.00 0.00 176.54 175.58 1xiq h THR 20 N -0.55 0.53 -0.37 4.70 2.02 -1.84 0.76 112.91 118.17 1xiq h THR 20 Ca 0.05 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1xiq h THR 20 Cb 0.62 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1xiq h THR 20 CO -0.29 0.02 0.15 0.40 0.37 0.00 0.00 175.52 176.17 1xiq h ILE 21 N 0.13 1.19 -0.17 3.11 2.04 -0.65 -1.82 117.51 121.34 1xiq h ILE 21 Ca 0.31 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1xiq h ILE 21 Cb 0.49 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1xiq h ILE 21 CO -0.49 0.21 0.11 0.40 0.00 0.00 0.00 178.15 178.37 1xiq h ILE 22 N 0.45 1.06 -0.83 -0.67 2.04 -0.80 -2.36 117.51 116.40 1xiq h ILE 22 Ca 0.12 -0.14 0.18 0.00 1.00 0.00 0.00 64.86 66.02 1xiq h ILE 22 Cb 0.18 0.86 -0.11 0.00 -0.74 0.00 0.00 36.82 37.00 1xiq h ILE 22 CO -0.01 0.06 0.34 0.50 0.00 0.00 0.00 178.15 179.04 1xiq h LYS 23 N 0.21 0.42 -0.93 2.37 1.63 -0.64 0.22 116.57 119.84 1xiq h LYS 23 Ca 0.06 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1xiq h LYS 23 Cb 0.00 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 1xiq h LYS 23 CO -0.01 0.28 0.61 -0.09 -3.45 0.00 0.00 179.45 176.78 1xiq h ARG 24 N 0.43 1.19 -0.03 1.90 2.43 -0.82 -0.51 114.38 118.98 1xiq h ARG 24 Ca 0.49 -0.07 -0.24 0.00 -0.81 0.00 0.00 59.98 59.35 1xiq h ARG 24 Cb 0.83 -0.27 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1xiq h ARG 24 CO -0.47 0.79 -0.94 0.74 -1.51 0.00 0.00 179.97 178.58 1xiq h PHE 25 N 1.23 0.85 -0.23 2.20 -1.00 -0.45 -3.07 116.94 116.47 1xiq h PHE 25 Ca 0.35 -0.44 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 1xiq h PHE 25 Cb -0.10 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 1xiq h PHE 25 CO -0.01 1.26 0.12 0.93 -1.61 0.00 0.00 178.31 179.00 1xiq h GLU 26 N 0.35 0.33 0.00 1.51 5.08 -0.44 -2.93 114.58 118.48 1xiq h GLU 26 Ca -0.09 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1xiq h GLU 26 Cb 1.58 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 1xiq h GLU 26 CO 0.18 0.32 -0.08 0.87 -1.00 0.00 0.00 179.01 179.30 1xiq h LYS 27 N 0.25 0.00 0.00 2.33 6.56 -1.12 -0.74 116.57 123.85 1xiq h LYS 27 Ca 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1xiq h LYS 27 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1xiq h LYS 27 CO -0.01 0.08 0.00 -0.22 -2.06 0.00 0.00 179.45 177.24 1xiq h LYS 28 N 0.00 0.00 0.00 3.15 1.63 -1.42 -3.46 116.57 116.47 1xiq h LYS 28 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xiq h LYS 28 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1xiq h LYS 28 CO 0.01 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.42 1xiq n GLY 29 N -0.34 0.79 3.93 5.01 0.00 -0.28 -5.09 105.19 109.22 1xiq n GLY 29 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1xiq n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xiq s TYR 30 N -2.00 3.33 -0.30 1.61 2.02 -1.15 -5.01 117.35 115.86 1xiq s TYR 30 Ca 0.00 0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 57.16 1xiq s TYR 30 Cb 0.00 -2.40 0.04 0.00 -0.40 0.00 0.00 41.96 39.20 1xiq s TYR 30 CO 0.00 -0.44 0.00 0.21 -1.57 0.00 0.00 175.55 173.75 1xiq s LYS 31 N -4.71 2.54 -0.14 -0.62 2.20 -0.26 -4.67 119.74 114.09 1xiq s LYS 31 Ca 0.49 -1.19 -0.29 0.00 -0.36 0.00 0.00 55.97 54.61 1xiq s LYS 31 Cb -0.10 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 1xiq s LYS 31 CO 0.41 -0.58 1.28 -1.17 -0.36 0.00 0.00 175.35 174.93 1xiq s LEU 32 N 1.29 4.21 0.00 5.43 2.96 -1.26 0.01 118.68 131.32 1xiq s LEU 32 Ca -0.04 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 1xiq s LEU 32 Cb -0.19 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1xiq s LEU 32 CO -0.01 -0.74 0.00 2.30 -1.32 0.00 0.00 176.35 176.58 1xiq n ILE 33 N 5.23 0.00 -3.71 6.68 -5.35 -0.78 -4.98 119.36 116.46 1xiq n ILE 33 Ca 0.14 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.34 1xiq n ILE 33 Cb 0.45 0.65 -0.10 0.00 -1.74 0.00 0.00 39.64 38.90 1xiq n ILE 33 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xiq s ALA 34 N -1.64 -1.16 -0.16 -1.28 0.00 -1.12 -1.01 121.76 115.38 1xiq s ALA 34 Ca 0.00 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 1xiq s ALA 34 Cb 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 23.12 22.35 1xiq s ALA 34 CO 0.00 -0.23 0.40 -1.50 0.00 0.00 0.00 175.76 174.43 1xiq s ILE 35 N 0.48 -0.01 -0.08 0.00 2.07 -1.26 -0.84 121.20 121.56 1xiq s ILE 35 Ca -0.02 0.05 -0.22 0.00 -1.41 0.00 0.00 60.65 59.06 1xiq s ILE 35 Cb -0.04 -0.58 0.05 0.00 0.13 0.00 0.00 42.46 42.02 1xiq s ILE 35 CO -0.02 0.02 0.51 -1.59 -1.91 0.00 0.00 174.94 171.94 1xiq s LYS 36 N 0.86 0.80 -0.14 3.50 -2.85 -0.44 -5.00 119.74 116.47 1xiq s LYS 36 Ca -0.05 0.23 -0.03 0.00 -1.00 0.00 0.00 55.97 55.12 1xiq s LYS 36 Cb -0.06 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1xiq s LYS 36 CO -0.07 -0.21 -0.03 1.41 0.10 0.00 0.00 175.35 176.56 1xiq s MET 37 N -0.83 3.51 -0.02 1.78 -2.45 -1.26 -0.36 119.30 119.67 1xiq s MET 37 Ca -0.09 -0.50 -0.22 0.00 -1.25 0.00 0.00 55.69 53.63 1xiq s MET 37 Cb -0.03 -2.88 0.05 0.00 1.25 0.00 0.00 34.83 33.22 1xiq s MET 37 CO 0.05 0.35 0.49 -0.48 1.05 0.00 0.00 175.02 176.48 1xiq s LEU 38 N 0.08 0.12 -0.57 4.11 2.34 -0.84 -5.01 118.68 118.91 1xiq s LEU 38 Ca 0.00 0.34 -0.19 0.00 0.06 0.00 0.00 54.13 54.35 1xiq s LEU 38 Cb -0.13 1.90 0.09 0.00 -0.56 0.00 0.00 46.19 47.49 1xiq s LEU 38 CO 0.03 -0.56 0.68 0.20 -1.06 0.00 0.00 176.35 175.64 1xiq s ASN 39 N -1.38 6.19 0.31 1.48 0.01 -1.26 -2.42 114.94 117.87 1xiq s ASN 39 Ca -0.11 -1.34 -0.29 0.00 -0.71 0.00 0.00 52.86 50.41 1xiq s ASN 39 Cb -0.02 -2.30 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 1xiq s ASN 39 CO 0.06 -1.06 1.29 -2.16 -1.51 0.00 0.00 177.10 173.71 1xiq s PRO 40 N 2.63 4.39 0.57 -0.60 0.04 -1.26 -4.97 135.00 135.80 1xiq s PRO 40 Ca 0.12 2.16 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 1xiq s PRO 40 Cb -0.23 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1xiq s PRO 40 CO 0.07 -0.15 1.27 0.99 0.04 0.00 0.00 177.00 179.22 1xiq s THR 41 N -1.03 2.40 -1.15 1.26 2.01 -1.26 -4.37 115.64 113.50 1xiq s THR 41 Ca 0.49 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.83 1xiq s THR 41 Cb -0.39 -3.12 0.07 0.00 0.01 0.00 0.00 72.50 69.07 1xiq s THR 41 CO 0.50 -0.03 1.16 1.21 -0.69 0.00 0.00 174.62 176.77 1xiq n GLU 42 N -1.29 0.03 -0.08 4.92 2.13 -1.26 -1.56 120.64 123.53 1xiq n GLU 42 Ca 0.12 0.33 -0.07 0.00 0.66 0.00 0.00 57.16 58.21 1xiq n GLU 42 Cb 0.47 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.53 1xiq n GLU 42 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1xiq n GLU 43 N -1.43 0.84 0.02 5.31 -0.58 -1.26 -2.77 120.64 120.77 1xiq n GLU 43 Ca 0.02 -0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.64 1xiq n GLU 43 Cb 0.07 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.52 1xiq n GLU 43 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xiq h ILE 44 N 0.00 1.33 0.00 -3.67 2.04 -1.80 -3.22 117.51 112.19 1xiq h ILE 44 Ca -0.45 -1.81 -0.15 0.00 1.00 0.00 0.00 64.86 63.45 1xiq h ILE 44 Cb 2.00 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 39.87 1xiq h ILE 44 CO 0.02 0.56 -0.74 -0.07 0.00 0.00 0.00 178.15 177.93 1xiq h LEU 45 N 0.38 0.00 -1.33 1.44 4.07 -1.45 -2.22 115.31 116.20 1xiq h LEU 45 Ca 0.01 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1xiq h LEU 45 Cb 1.08 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.79 1xiq h LEU 45 CO 0.10 0.74 0.46 0.50 -1.08 0.00 0.00 178.44 179.16 1xiq h LYS 46 N 0.00 0.87 0.10 1.13 3.64 -1.53 -1.77 116.57 119.00 1xiq h LYS 46 Ca -0.01 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 59.01 1xiq h LYS 46 Cb 1.31 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1xiq h LYS 46 CO 0.10 0.58 -1.64 0.93 -2.27 0.00 0.00 179.45 177.15 1xiq h GLU 47 N 0.90 0.20 -0.17 1.90 4.39 -1.55 -3.26 114.58 116.99 1xiq h GLU 47 Ca 0.27 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1xiq h GLU 47 Cb -0.03 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1xiq h GLU 47 CO -0.07 1.02 0.10 1.25 -1.16 0.00 0.00 179.01 180.15 1xiq h HIS 48 N 0.06 0.22 -2.06 4.33 2.76 -1.31 -3.06 115.15 116.09 1xiq h HIS 48 Ca -0.28 -0.00 -0.78 0.00 -2.20 0.00 0.00 60.37 57.11 1xiq h HIS 48 Cb 2.01 -0.07 -0.26 0.00 1.55 0.00 0.00 27.41 30.64 1xiq h HIS 48 CO 0.05 0.19 1.07 0.66 -1.30 0.00 0.00 177.93 178.61 1xiq n TYR 49 N -4.94 2.83 0.11 5.26 4.01 -0.68 -4.50 117.16 119.26 1xiq n TYR 49 Ca -0.04 -2.43 -0.18 0.00 -0.16 0.00 0.00 57.90 55.08 1xiq n TYR 49 Cb 0.06 -1.22 -0.14 0.00 -0.31 0.00 0.00 39.34 37.73 1xiq n TYR 49 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1xiq h LYS 50 N 3.60 0.36 -0.86 -0.72 3.11 -1.57 -2.81 116.57 117.68 1xiq h LYS 50 Ca 0.55 -0.60 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1xiq h LYS 50 Cb 0.19 0.22 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 1xiq h LYS 50 CO 1.30 1.28 0.52 1.05 -2.81 0.00 0.00 179.45 180.80 1xiq h GLU 51 N 0.11 1.16 -0.64 1.90 4.11 -1.86 -2.86 114.58 116.50 1xiq h GLU 51 Ca -0.17 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1xiq h GLU 51 Cb 2.01 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1xiq h GLU 51 CO 0.22 0.81 0.00 1.28 0.07 0.00 0.00 179.01 181.39 1xiq n LEU 52 N -4.37 3.58 0.10 3.06 4.77 -1.24 -3.85 117.00 119.05 1xiq n LEU 52 Ca 0.09 -1.79 0.08 0.00 -0.03 0.00 0.00 56.01 54.36 1xiq n LEU 52 Cb 0.06 -0.45 0.39 0.00 -2.33 0.00 0.00 43.42 41.09 1xiq n LEU 52 CO 0.38 0.83 0.74 -0.24 -1.33 0.00 0.00 177.39 177.77 1xiq n SER 53 N 1.30 0.38 -3.28 -1.43 2.88 -1.06 -2.82 113.62 109.60 1xiq n SER 53 Ca 0.22 0.65 -0.40 0.00 -1.33 0.00 0.00 58.87 58.01 1xiq n SER 53 Cb 0.59 -0.71 0.03 0.00 -0.75 0.00 0.00 64.21 63.36 1xiq n SER 53 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xiq n ASP 54 N -1.98 7.26 -3.87 -3.46 8.00 -1.25 -4.94 116.55 116.30 1xiq n ASP 54 Ca 0.00 -3.75 -0.12 0.00 0.71 0.00 0.00 54.79 51.63 1xiq n ASP 54 Cb 0.08 -1.09 -0.14 0.00 -0.02 0.00 0.00 41.12 39.95 1xiq n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1xiq s GLN 55 N -4.18 0.01 0.16 -1.24 0.74 -1.13 -5.08 119.66 108.95 1xiq s GLN 55 Ca 0.45 -0.01 -0.16 0.00 0.05 0.00 0.00 55.36 55.69 1xiq s GLN 55 Cb 0.30 0.00 0.07 0.00 1.10 0.00 0.00 33.01 34.49 1xiq s GLN 55 CO -0.25 -0.00 1.73 -1.00 -0.55 0.00 0.00 175.29 175.21 1xiq h PRO 56 N 6.12 0.18 -4.14 1.67 0.13 -1.92 -3.33 132.00 130.71 1xiq h PRO 56 Ca -0.24 -0.01 -0.76 0.00 -0.87 0.00 0.00 66.00 64.11 1xiq h PRO 56 Cb 1.21 -0.04 -0.24 0.00 0.13 0.00 0.00 31.00 32.06 1xiq h PRO 56 CO 0.51 0.12 0.27 0.12 -0.23 0.00 0.00 178.00 178.78 1xiq s PHE 57 N -6.17 3.58 0.00 1.56 5.36 -1.26 -4.69 117.98 116.37 1xiq s PHE 57 Ca -0.13 -1.81 0.00 0.00 -0.96 0.00 0.00 56.93 54.02 1xiq s PHE 57 Cb 0.13 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 1xiq s PHE 57 CO 0.71 -1.12 0.00 0.34 -1.46 0.00 0.00 175.22 173.69 1xiq n PHE 58 N 4.66 0.00 0.25 10.12 7.35 -1.25 -4.54 117.46 134.04 1xiq n PHE 58 Ca 0.15 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 57.00 1xiq n PHE 58 Cb 0.47 0.00 0.82 0.00 0.35 0.00 0.00 39.48 41.12 1xiq n PHE 58 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1xiq h LYS 59 N 0.00 0.00 0.01 -4.13 1.57 -1.91 -1.51 116.57 110.60 1xiq h LYS 59 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1xiq h LYS 59 Cb 0.92 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 1xiq h LYS 59 CO 0.00 0.00 -1.92 0.27 -0.57 0.00 0.00 179.45 177.23 1xiq n ASN 60 N -2.59 0.75 -0.01 0.86 6.94 -1.26 -4.55 115.26 115.40 1xiq n ASN 60 Ca -0.02 0.28 -0.13 0.00 -0.02 0.00 0.00 54.58 54.70 1xiq n ASN 60 Cb 0.07 0.15 -0.10 0.00 -2.36 0.00 0.00 39.78 37.55 1xiq n ASN 60 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1xiq h LEU 61 N 0.00 -0.01 -0.01 -4.53 7.12 -1.51 -3.07 115.31 113.30 1xiq h LEU 61 Ca -0.37 -0.49 -0.00 0.00 0.13 0.00 0.00 57.88 57.15 1xiq h LEU 61 Cb 2.07 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 42.21 1xiq h LEU 61 CO 0.06 0.48 0.01 0.58 -0.13 0.00 0.00 178.44 179.44 1xiq h VAL 62 N -0.51 1.11 -0.77 1.05 2.07 -1.80 -2.56 116.25 114.83 1xiq h VAL 62 Ca -0.00 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1xiq h VAL 62 Cb 0.50 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1xiq h VAL 62 CO 0.00 0.08 0.51 0.00 0.02 0.00 0.00 177.57 178.19 1xiq h ALA 63 N 0.87 1.56 0.22 1.67 0.00 -1.80 -2.46 119.26 119.32 1xiq h ALA 63 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xiq h ALA 63 Cb 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xiq h ALA 63 CO -0.00 0.35 -0.13 -0.92 0.00 0.00 0.00 179.25 178.56 1xiq h TYR 64 N 0.93 -0.33 -0.05 0.00 3.20 -1.36 -2.75 116.97 116.60 1xiq h TYR 64 Ca 0.31 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1xiq h TYR 64 Cb 0.08 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1xiq h TYR 64 CO -0.00 -0.19 0.01 0.82 -1.64 0.00 0.00 178.16 177.15 1xiq h ILE 65 N -0.32 1.03 0.00 1.81 2.04 -1.48 -0.92 117.51 119.67 1xiq h ILE 65 Ca -0.03 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1xiq h ILE 65 Cb 0.25 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1xiq h ILE 65 CO 0.03 0.04 -0.16 -1.28 0.00 0.00 0.00 178.15 176.78 1xiq h SER 66 N 0.06 0.00 0.00 1.72 0.87 -1.41 -3.31 113.55 111.49 1xiq h SER 66 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1xiq h SER 66 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1xiq h SER 66 CO -0.00 0.16 0.00 1.17 -0.53 0.00 0.00 176.83 177.63 1xiq n LYS 67 N -4.33 0.00 -0.51 2.24 4.81 -0.36 -4.13 118.16 115.88 1xiq n LYS 67 Ca -0.03 0.44 -0.29 0.00 -0.87 0.00 0.00 58.31 57.57 1xiq n LYS 67 Cb 0.23 -1.04 0.24 0.00 0.02 0.00 0.00 35.03 34.48 1xiq n LYS 67 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1xiq s GLY 68 N -1.69 1.57 0.57 3.14 0.00 -1.18 -4.92 107.32 104.81 1xiq s GLY 68 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 44.72 44.58 1xiq s GLY 68 CO 0.00 0.71 1.05 2.56 0.00 0.00 0.00 173.10 177.42 1xiq s PRO 69 N -4.45 3.42 -0.01 2.90 0.04 -1.26 -4.68 135.00 130.95 1xiq s PRO 69 Ca 0.68 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1xiq s PRO 69 Cb -0.25 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.25 1xiq s PRO 69 CO 0.64 -0.73 -0.02 0.08 0.04 0.00 0.00 177.00 177.01 1xiq s VAL 70 N -2.36 0.20 -0.42 -0.36 1.01 -1.02 -2.71 120.40 114.75 1xiq s VAL 70 Ca 0.64 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 1xiq s VAL 70 Cb -0.16 -0.22 0.09 0.00 0.00 0.00 0.00 36.38 36.09 1xiq s VAL 70 CO 0.34 0.10 0.24 -0.69 0.00 0.00 0.00 175.10 175.08 1xiq s VAL 71 N 0.40 3.89 0.14 2.92 1.01 -0.92 -1.99 120.40 125.85 1xiq s VAL 71 Ca -0.04 -1.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.09 1xiq s VAL 71 Cb -0.06 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 1xiq s VAL 71 CO -0.01 -0.57 0.70 0.00 0.00 0.00 0.00 175.10 175.23 1xiq s ALA 72 N 1.33 3.50 0.04 5.51 0.00 0.51 -1.32 121.76 131.33 1xiq s ALA 72 Ca 0.04 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 1xiq s ALA 72 Cb -0.23 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1xiq s ALA 72 CO -0.00 0.33 0.06 -1.64 0.00 0.00 0.00 175.76 174.51 1xiq s MET 73 N -1.17 0.56 -0.08 0.00 -1.94 0.37 -1.33 119.30 115.71 1xiq s MET 73 Ca 0.34 -0.80 0.04 0.00 -1.71 0.00 0.00 55.69 53.56 1xiq s MET 73 Cb -0.22 0.21 0.00 0.00 2.01 0.00 0.00 34.83 36.84 1xiq s MET 73 CO 0.23 -0.13 -0.20 0.08 -0.01 0.00 0.00 175.02 174.99 1xiq s VAL 74 N -2.65 1.72 0.04 -6.03 1.01 -0.02 -1.67 120.40 112.80 1xiq s VAL 74 Ca -0.05 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1xiq s VAL 74 Cb -0.01 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1xiq s VAL 74 CO -0.05 0.48 -0.24 0.26 0.00 0.00 0.00 175.10 175.56 1xiq s TRP 75 N 0.33 2.40 0.10 5.22 0.52 -0.74 -1.87 118.94 124.90 1xiq s TRP 75 Ca -0.14 -0.37 0.10 0.00 0.02 0.00 0.00 56.10 55.72 1xiq s TRP 75 Cb -0.16 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.70 1xiq s TRP 75 CO 0.06 0.15 -0.27 -2.00 0.02 0.00 0.00 176.95 174.91 1xiq s GLU 76 N -1.22 1.53 0.00 4.98 2.12 0.10 -1.12 118.70 125.09 1xiq s GLU 76 Ca 0.12 -1.27 0.00 0.00 0.36 0.00 0.00 54.97 54.18 1xiq s GLU 76 Cb -0.10 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.37 1xiq s GLU 76 CO 0.03 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 1xiq n GLY 77 N 1.20 2.94 3.74 -1.50 0.00 -0.38 -1.10 105.19 110.09 1xiq n GLY 77 Ca -0.18 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 1xiq n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xiq s VAL 78 N -2.00 2.34 -1.40 1.61 0.11 -1.26 -2.17 120.40 117.63 1xiq s VAL 78 Ca 0.00 0.29 -0.10 0.00 -2.93 0.00 0.00 61.98 59.24 1xiq s VAL 78 Cb 0.00 -3.18 0.01 0.00 -1.53 0.00 0.00 36.38 31.68 1xiq s VAL 78 CO 0.00 0.04 0.34 -0.67 -3.33 0.00 0.00 175.10 171.48 1xiq n ASP 79 N 2.42 -1.12 -0.07 3.54 2.03 -1.26 -4.89 116.55 117.19 1xiq n ASP 79 Ca 0.08 -1.19 -0.11 0.00 0.52 0.00 0.00 54.79 54.09 1xiq n ASP 79 Cb 0.39 -2.16 -0.04 0.00 -0.72 0.00 0.00 41.12 38.58 1xiq n ASP 79 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1xiq h MET 80 N -2.01 0.36 0.20 -0.67 4.05 -1.67 -2.52 114.93 112.68 1xiq h MET 80 Ca -0.67 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 58.66 1xiq h MET 80 Cb 1.39 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.15 1xiq h MET 80 CO 0.62 0.47 -0.10 0.28 0.23 0.00 0.00 176.91 178.42 1xiq h VAL 81 N 0.19 0.86 -0.35 -5.77 2.07 -1.87 -1.02 116.25 110.36 1xiq h VAL 81 Ca 0.07 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1xiq h VAL 81 Cb 0.27 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1xiq h VAL 81 CO 0.00 0.08 0.11 0.50 0.02 0.00 0.00 177.57 178.28 1xiq h LYS 82 N -0.43 0.54 -0.15 1.57 3.64 -1.88 -2.05 116.57 117.80 1xiq h LYS 82 Ca -0.03 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1xiq h LYS 82 Cb 0.33 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1xiq h LYS 82 CO 0.05 0.56 -0.33 1.96 -2.27 0.00 0.00 179.45 179.42 1xiq h GLN 83 N 0.41 0.30 -0.48 1.90 1.08 -1.42 0.80 115.11 117.71 1xiq h GLN 83 Ca 0.11 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1xiq h GLN 83 Cb 0.24 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1xiq h GLN 83 CO -0.00 0.60 0.18 0.78 -0.95 0.00 0.00 178.83 179.44 1xiq h GLY 84 N 1.09 0.77 1.18 3.46 0.00 -1.03 0.13 103.07 108.67 1xiq h GLY 84 Ca 0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1xiq h GLY 84 CO 0.05 0.40 0.29 3.21 0.00 0.00 0.00 176.54 180.50 1xiq h ARG 85 N 0.63 1.05 -0.31 4.80 3.08 -0.73 -0.53 114.38 122.36 1xiq h ARG 85 Ca 0.16 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1xiq h ARG 85 Cb 0.21 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1xiq h ARG 85 CO -0.01 0.84 0.14 -0.22 -1.07 0.00 0.00 179.97 179.65 1xiq h LYS 86 N 1.03 0.46 -0.36 0.04 3.11 -0.50 0.17 116.57 120.51 1xiq h LYS 86 Ca 0.24 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.98 1xiq h LYS 86 Cb 0.18 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.32 1xiq h LYS 86 CO -0.02 0.44 0.11 -0.07 -2.81 0.00 0.00 179.45 177.09 1xiq h LEU 87 N 0.36 0.47 0.00 5.20 3.38 -0.47 -3.21 115.31 121.05 1xiq h LEU 87 Ca 0.11 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xiq h LEU 87 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xiq h LEU 87 CO -0.01 0.46 -0.00 0.40 0.09 0.00 0.00 178.44 179.38 1xiq h ILE 88 N 0.51 1.70 0.00 1.22 2.04 -0.80 -1.01 117.51 121.17 1xiq h ILE 88 Ca 0.12 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.80 1xiq h ILE 88 Cb 0.17 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1xiq h ILE 88 CO -0.01 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.31 1xiq n GLY 89 N 1.47 -1.74 3.55 5.37 0.00 0.57 -1.32 105.19 113.09 1xiq n GLY 89 Ca -0.10 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 1xiq n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xiq s GLU 90 N -0.70 -0.42 0.07 1.61 2.02 -1.26 -4.84 118.70 115.19 1xiq s GLU 90 Ca 0.00 0.83 -0.24 0.00 0.02 0.00 0.00 54.97 55.58 1xiq s GLU 90 Cb 0.00 -1.61 -0.16 0.00 0.10 0.00 0.00 34.13 32.46 1xiq s GLU 90 CO 0.00 -3.39 1.65 1.15 0.02 0.00 0.00 175.26 174.70 1xiq h THR 91 N -2.38 0.97 -3.43 3.63 2.02 -1.98 -3.40 112.91 108.34 1xiq h THR 91 Ca -0.58 -0.16 -0.59 0.00 0.77 0.00 0.00 66.41 65.84 1xiq h THR 91 Cb 1.33 1.08 -0.09 0.00 -1.74 0.00 0.00 68.15 68.73 1xiq h THR 91 CO 0.51 0.04 0.58 0.21 0.37 0.00 0.00 175.52 177.23 1xiq s ASN 92 N -5.17 6.72 0.03 4.18 2.47 -1.26 -4.67 114.94 117.23 1xiq s ASN 92 Ca -0.14 0.70 0.11 0.00 0.42 0.00 0.00 52.86 53.95 1xiq s ASN 92 Cb 0.05 -2.46 0.49 0.00 -1.45 0.00 0.00 41.25 37.89 1xiq s ASN 92 CO 0.65 -0.78 1.36 -2.65 -3.72 0.00 0.00 177.10 171.97 1xiq n PRO 93 N 6.59 0.02 0.09 0.43 -0.02 -1.26 -1.78 135.00 139.06 1xiq n PRO 93 Ca 0.07 0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 61.74 1xiq n PRO 93 Cb 0.48 -1.54 -0.14 0.00 -0.02 0.00 0.00 33.50 32.28 1xiq n PRO 93 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xiq h LEU 94 N 0.00 0.37 -0.25 2.45 3.38 -1.85 -3.31 115.31 116.10 1xiq h LEU 94 Ca 0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1xiq h LEU 94 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xiq h LEU 94 CO 0.00 1.34 -0.60 0.35 0.09 0.00 0.00 178.44 179.62 1xiq n THR 95 N -3.49 0.00 -2.35 0.22 -2.24 -0.77 -4.91 114.28 100.75 1xiq n THR 95 Ca -0.10 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1xiq n THR 95 Cb 1.02 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 1xiq n THR 95 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xiq s SER 96 N -2.82 7.03 0.64 3.42 0.15 -0.74 -4.89 113.70 116.49 1xiq s SER 96 Ca 0.14 2.17 -0.16 0.00 0.70 0.00 0.00 55.95 58.80 1xiq s SER 96 Cb 0.17 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1xiq s SER 96 CO 0.70 -0.47 1.10 0.54 1.20 0.00 0.00 173.24 176.31 1xiq s ASN 97 N 0.67 5.29 0.44 5.45 2.20 -1.26 -4.58 114.94 123.15 1xiq s ASN 97 Ca 0.57 1.98 -0.25 0.00 -0.94 0.00 0.00 52.86 54.23 1xiq s ASN 97 Cb -0.32 -2.55 -0.08 0.00 -2.00 0.00 0.00 41.25 36.30 1xiq s ASN 97 CO 0.33 -1.51 1.29 0.42 -2.94 0.00 0.00 177.10 174.69 1xiq s THR 98 N -2.31 2.61 0.00 0.54 -4.23 -1.26 -3.11 115.64 107.88 1xiq s THR 98 Ca 0.67 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1xiq s THR 98 Cb -0.20 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1xiq s THR 98 CO 0.39 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 1xiq n GLY 99 N 0.63 2.05 3.83 3.99 0.00 -1.26 -5.02 105.19 109.40 1xiq n GLY 99 Ca 0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1xiq n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xiq s THR 100 N -1.89 4.16 0.11 2.61 -4.23 -1.18 -4.90 115.64 110.31 1xiq s THR 100 Ca 0.00 0.80 -0.25 0.00 -1.18 0.00 0.00 61.69 61.06 1xiq s THR 100 Cb 0.00 -3.51 -0.09 0.00 1.34 0.00 0.00 72.50 70.23 1xiq s THR 100 CO 0.00 -0.82 1.68 0.40 -0.54 0.00 0.00 174.62 175.34 1xiq h ILE 101 N -0.25 0.65 -0.11 2.99 2.04 -1.15 -0.11 117.51 121.58 1xiq h ILE 101 Ca -0.45 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1xiq h ILE 101 Cb 1.21 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1xiq h ILE 101 CO 0.58 0.00 -0.25 0.03 0.00 0.00 0.00 178.15 178.51 1xiq h ARG 102 N -0.28 0.19 0.00 2.37 3.08 -1.47 -0.63 114.38 117.65 1xiq h ARG 102 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1xiq h ARG 102 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1xiq h ARG 102 CO -0.09 0.44 -0.28 0.41 -1.07 0.00 0.00 179.97 179.38 1xiq n GLY 103 N -0.61 -1.59 0.10 0.04 0.00 -1.10 -1.82 105.19 100.22 1xiq n GLY 103 Ca -0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1xiq n GLY 103 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xiq n ASP 104 N -2.22 0.21 0.00 1.61 9.92 -0.07 -4.64 116.55 121.35 1xiq n ASP 104 Ca 0.04 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1xiq n ASP 104 Cb 0.44 0.78 0.00 0.00 -0.64 0.00 0.00 41.12 41.70 1xiq n ASP 104 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1xiq n PHE 105 N -2.81 0.00 -4.30 1.24 3.72 -0.27 -5.09 117.46 109.95 1xiq n PHE 105 Ca -0.31 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 56.86 1xiq n PHE 105 Cb 1.14 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.60 1xiq n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xiq n LEU 107 N -0.90 1.81 -4.37 0.00 4.32 -1.26 -4.72 117.00 111.87 1xiq n LEU 107 Ca -0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.63 1xiq n LEU 107 Cb 0.60 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.25 1xiq n LEU 107 CO 0.41 0.28 -0.54 -0.70 -1.22 0.00 0.00 177.39 175.61 1xiq s GLU 108 N -1.78 2.00 0.51 3.23 2.12 -1.26 -4.39 118.70 119.13 1xiq s GLU 108 Ca 0.00 -1.00 0.21 0.00 0.36 0.00 0.00 54.97 54.54 1xiq s GLU 108 Cb 0.00 -2.08 1.34 0.00 0.26 0.00 0.00 34.13 33.66 1xiq s GLU 108 CO 0.00 0.54 2.09 -0.24 -0.54 0.00 0.00 175.26 177.12 1xiq h VAL 109 N 4.24 0.83 0.00 3.70 3.04 -1.97 -1.64 116.25 124.45 1xiq h VAL 109 Ca -0.46 -0.37 -0.07 0.00 -1.01 0.00 0.00 66.70 64.79 1xiq h VAL 109 Cb 1.14 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 1xiq h VAL 109 CO 0.46 0.10 -0.31 0.77 -1.01 0.00 0.00 177.57 177.57 1xiq h SER 110 N 0.00 0.00 -2.59 3.17 4.64 -1.95 -3.35 113.55 113.47 1xiq h SER 110 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1xiq h SER 110 Cb 0.21 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.89 1xiq h SER 110 CO 0.01 0.31 -0.74 0.29 -0.87 0.00 0.00 176.83 175.83 1xiq n LYS 111 N -3.49 1.43 -0.57 4.77 4.01 -0.62 -4.92 118.16 118.78 1xiq n LYS 111 Ca -0.00 -4.04 0.05 0.00 -0.51 0.00 0.00 58.31 53.81 1xiq n LYS 111 Cb 0.48 -1.99 0.26 0.00 -0.51 0.00 0.00 35.03 33.26 1xiq n LYS 111 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1xiq n ASN 112 N 1.88 3.86 0.00 4.39 6.94 -1.21 -4.33 115.26 126.80 1xiq n ASN 112 Ca 0.25 -3.14 0.00 0.00 -0.02 0.00 0.00 54.58 51.67 1xiq n ASN 112 Cb 0.42 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 1xiq n ASN 112 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1xiq n VAL 113 N -0.52 0.00 -4.06 3.53 0.24 -1.26 -4.80 118.33 111.47 1xiq n VAL 113 Ca 0.25 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.44 1xiq n VAL 113 Cb 0.97 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.23 1xiq n VAL 113 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1xiq s ILE 114 N 0.00 0.43 -0.04 1.34 2.07 -1.26 0.18 121.20 123.92 1xiq s ILE 114 Ca 0.00 -1.18 0.04 0.00 -1.41 0.00 0.00 60.65 58.10 1xiq s ILE 114 Cb 0.00 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.87 1xiq s ILE 114 CO 0.00 -0.51 -0.15 -2.28 -1.91 0.00 0.00 174.94 170.09 1xiq s HIS 115 N -1.81 2.67 0.04 3.50 5.65 0.83 -4.86 115.29 121.31 1xiq s HIS 115 Ca -0.08 -0.18 0.04 0.00 0.25 0.00 0.00 55.06 55.09 1xiq s HIS 115 Cb -0.07 -1.61 -0.02 0.00 -1.18 0.00 0.00 32.58 29.70 1xiq s HIS 115 CO -0.01 0.18 -0.13 0.20 -0.65 0.00 0.00 174.74 174.33 1xiq s GLY 116 N -0.78 0.73 0.31 1.59 0.00 -1.26 -1.83 107.32 106.08 1xiq s GLY 116 Ca 0.12 -0.80 -0.29 0.00 0.00 0.00 0.00 44.72 43.75 1xiq s GLY 116 CO 0.01 -0.78 1.48 -0.56 0.00 0.00 0.00 173.10 173.25 1xiq s SER 117 N -1.18 6.49 0.03 1.64 0.01 -1.08 -4.95 113.70 114.66 1xiq s SER 117 Ca -0.00 2.87 0.00 0.00 1.31 0.00 0.00 55.95 60.13 1xiq s SER 117 Cb -0.08 -2.64 -0.26 0.00 0.21 0.00 0.00 66.02 63.25 1xiq s SER 117 CO 0.01 -0.80 0.97 -2.24 0.41 0.00 0.00 173.24 171.60 1xiq h ASP 118 N 4.13 0.28 -5.34 2.44 2.03 -1.91 -3.44 116.42 114.61 1xiq h ASP 118 Ca -0.48 -0.37 -0.14 0.00 -0.73 0.00 0.00 57.03 55.31 1xiq h ASP 118 Cb 1.23 -0.09 -0.14 0.00 -0.83 0.00 0.00 39.33 39.50 1xiq h ASP 118 CO 0.72 1.30 -0.47 -0.94 -1.03 0.00 0.00 179.24 178.82 1xiq s SER 119 N -6.87 0.16 0.37 4.15 1.04 -1.26 -4.93 113.70 106.36 1xiq s SER 119 Ca -0.06 -1.03 0.06 0.00 0.48 0.00 0.00 55.95 55.40 1xiq s SER 119 Cb 0.08 0.37 0.73 0.00 0.10 0.00 0.00 66.02 67.30 1xiq s SER 119 CO 0.85 -0.82 1.95 -0.37 0.98 0.00 0.00 173.24 175.83 1xiq h VAL 120 N 2.69 1.16 -0.45 5.02 -1.51 -1.93 0.92 116.25 122.14 1xiq h VAL 120 Ca -0.33 -0.56 -0.09 0.00 -1.23 0.00 0.00 66.70 64.48 1xiq h VAL 120 Cb 1.22 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1xiq h VAL 120 CO 0.53 0.20 -0.09 0.00 -1.23 0.00 0.00 177.57 176.98 1xiq h ALA 121 N 1.61 0.61 -0.53 5.19 0.00 -1.97 -2.33 119.26 121.84 1xiq h ALA 121 Ca 0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1xiq h ALA 121 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xiq h ALA 121 CO -0.00 0.49 0.08 0.77 0.00 0.00 0.00 179.25 180.58 1xiq h SER 122 N 0.68 0.81 0.32 0.00 0.02 -1.86 -3.07 113.55 110.46 1xiq h SER 122 Ca 0.12 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1xiq h SER 122 Cb 0.62 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1xiq h SER 122 CO 0.04 0.82 -0.16 0.00 -1.14 0.00 0.00 176.83 176.40 1xiq h ALA 123 N 1.27 -0.43 -0.86 3.77 0.00 -0.63 -1.61 119.26 120.77 1xiq h ALA 123 Ca 0.17 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1xiq h ALA 123 Cb 0.38 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1xiq h ALA 123 CO 0.01 -0.64 0.56 -0.91 0.00 0.00 0.00 179.25 178.27 1xiq h ASN 124 N -0.65 0.79 -0.14 0.00 2.35 -1.48 0.12 115.58 116.58 1xiq h ASN 124 Ca -0.04 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1xiq h ASN 124 Cb 0.46 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1xiq h ASN 124 CO 0.07 0.48 0.02 0.50 -1.65 0.00 0.00 177.43 176.86 1xiq h LYS 125 N 0.88 0.23 -0.63 0.81 1.63 -1.53 -2.99 116.57 114.97 1xiq h LYS 125 Ca 0.39 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.11 1xiq h LYS 125 Cb 0.34 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1xiq h LYS 125 CO -0.15 0.41 0.34 0.93 -3.45 0.00 0.00 179.45 177.52 1xiq h GLU 126 N 0.00 0.88 -0.57 1.90 5.08 -0.23 -2.44 114.58 119.21 1xiq h GLU 126 Ca 0.04 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1xiq h GLU 126 Cb 0.30 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1xiq h GLU 126 CO 0.00 0.67 0.36 0.82 -1.00 0.00 0.00 179.01 179.87 1xiq h ILE 127 N 0.85 1.11 -0.09 3.13 2.04 -0.88 -2.22 117.51 121.46 1xiq h ILE 127 Ca 0.22 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1xiq h ILE 127 Cb 0.06 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1xiq h ILE 127 CO -0.03 0.13 -0.29 0.78 0.00 0.00 0.00 178.15 178.74 1xiq h ASN 128 N 0.73 0.16 0.47 1.72 4.21 -1.33 0.13 115.58 121.67 1xiq h ASN 128 Ca 0.22 -0.05 -0.24 0.00 1.21 0.00 0.00 56.30 57.44 1xiq h ASN 128 Cb -0.04 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.12 1xiq h ASN 128 CO -0.07 0.45 -1.05 -0.29 -1.29 0.00 0.00 177.43 175.19 1xiq h ILE 129 N 0.14 1.45 0.02 2.81 6.09 -1.22 -3.35 117.51 123.44 1xiq h ILE 129 Ca 0.02 -2.69 -0.31 0.00 -1.37 0.00 0.00 64.86 60.51 1xiq h ILE 129 Cb 0.59 2.62 -0.05 0.00 0.47 0.00 0.00 36.82 40.45 1xiq h ILE 129 CO 0.04 0.79 -1.85 0.79 -3.07 0.00 0.00 178.15 174.86 1xiq n TRP 130 N -3.66 0.90 -4.33 2.19 7.02 -0.85 -4.96 117.44 113.75 1xiq n TRP 130 Ca -0.07 0.30 -0.25 0.00 -1.02 0.00 0.00 57.50 56.46 1xiq n TRP 130 Cb 0.90 -1.16 -0.12 0.00 -2.42 0.00 0.00 31.31 28.51 1xiq n TRP 130 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1xiq s PHE 131 N -2.58 1.95 0.43 -5.99 0.08 0.42 -5.10 117.98 107.20 1xiq s PHE 131 Ca -0.08 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 56.42 1xiq s PHE 131 Cb 0.08 -1.05 -0.07 0.00 -0.57 0.00 0.00 43.02 41.40 1xiq s PHE 131 CO 0.81 0.27 0.84 0.15 -0.10 0.00 0.00 175.22 177.20 1xiq s LYS 132 N -2.08 3.88 0.29 0.44 1.02 -1.26 -4.48 119.74 117.54 1xiq s LYS 132 Ca 0.10 0.67 -0.01 0.00 0.02 0.00 0.00 55.97 56.75 1xiq s LYS 132 Cb -0.09 -2.30 0.45 0.00 -0.52 0.00 0.00 37.83 35.37 1xiq s LYS 132 CO 0.05 -0.09 1.94 0.00 -0.92 0.00 0.00 175.35 176.33 1xiq h ALA 133 N 1.28 1.43 -0.22 5.17 0.00 -1.95 -1.47 119.26 123.51 1xiq h ALA 133 Ca -0.47 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.44 1xiq h ALA 133 Cb 1.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1xiq h ALA 133 CO 0.63 0.49 0.15 1.49 0.00 0.00 0.00 179.25 182.01 1xiq h GLU 134 N 1.12 0.06 -0.46 0.00 4.81 -2.04 -2.54 114.58 115.53 1xiq h GLU 134 Ca 0.34 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.44 1xiq h GLU 134 Cb -0.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1xiq h GLU 134 CO -0.10 0.04 -0.21 0.93 -0.73 0.00 0.00 179.01 178.94 1xiq h GLU 135 N 0.07 0.96 -6.15 1.92 5.08 -1.65 -3.41 114.58 111.38 1xiq h GLU 135 Ca 0.10 -0.41 -0.58 0.00 -1.00 0.00 0.00 59.36 57.47 1xiq h GLU 135 Cb 0.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1xiq h GLU 135 CO -0.01 1.08 1.35 -0.51 -1.00 0.00 0.00 179.01 179.92 1xiq s LEU 136 N -9.09 3.65 -0.07 1.33 1.02 -0.96 -4.73 118.68 109.83 1xiq s LEU 136 Ca -0.12 1.79 -0.13 0.00 0.02 0.00 0.00 54.13 55.70 1xiq s LEU 136 Cb 0.12 -3.52 -0.05 0.00 0.02 0.00 0.00 46.19 42.76 1xiq s LEU 136 CO 0.86 -1.67 0.32 0.42 0.02 0.00 0.00 176.35 176.30 1xiq s THR 137 N 6.98 5.21 -0.20 5.49 -4.23 -0.18 -5.02 115.64 123.68 1xiq s THR 137 Ca 0.89 0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 61.89 1xiq s THR 137 Cb -0.30 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 1xiq s THR 137 CO 0.35 0.54 0.36 0.00 -0.54 0.00 0.00 174.62 175.33 1xiq s GLN 138 N -0.69 4.16 -0.01 3.99 -2.07 -1.26 -4.80 119.66 118.99 1xiq s GLN 138 Ca 0.20 0.13 -0.08 0.00 -1.82 0.00 0.00 55.36 53.80 1xiq s GLN 138 Cb -0.15 -3.53 0.00 0.00 -1.09 0.00 0.00 33.01 28.24 1xiq s GLN 138 CO 0.09 -0.01 0.15 1.67 -1.32 0.00 0.00 175.29 175.87 1xiq s TRP 139 N 1.24 0.00 -0.29 9.60 1.48 -1.26 -5.13 118.94 124.58 1xiq s TRP 139 Ca 0.17 -0.04 -0.26 0.00 -1.06 0.00 0.00 56.10 54.91 1xiq s TRP 139 Cb -0.14 -0.03 0.01 0.00 -1.16 0.00 0.00 33.47 32.14 1xiq s TRP 139 CO 0.07 -0.27 0.91 0.15 -4.06 0.00 0.00 176.95 173.75 1xiq s LYS 140 N -1.21 4.05 -0.35 3.25 -0.14 -1.26 -5.01 119.74 119.07 1xiq s LYS 140 Ca -0.13 0.87 -0.29 0.00 -1.36 0.00 0.00 55.97 55.06 1xiq s LYS 140 Cb -0.07 -3.71 0.01 0.00 -1.68 0.00 0.00 37.83 32.38 1xiq s LYS 140 CO 0.02 -0.73 1.23 -1.58 -0.76 0.00 0.00 175.35 173.53 1xiq s HIS 141 N 3.19 2.79 0.32 3.18 5.65 -1.26 -4.90 115.29 124.26 1xiq s HIS 141 Ca 0.38 0.90 0.00 0.00 0.25 0.00 0.00 55.06 56.59 1xiq s HIS 141 Cb -0.14 -4.01 0.54 0.00 -1.18 0.00 0.00 32.58 27.79 1xiq s HIS 141 CO 0.12 -1.42 1.97 1.25 -0.65 0.00 0.00 174.74 176.01 1xiq h HIS 142 N 9.15 0.89 0.00 3.88 2.76 -2.05 -2.68 115.15 127.09 1xiq h HIS 142 Ca -0.24 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 1xiq h HIS 142 Cb 1.08 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1xiq h HIS 142 CO 0.90 0.58 0.00 -1.33 -1.30 0.00 0.00 177.93 176.78 1xiq n MET 143 N -4.41 0.24 0.23 5.26 2.81 -1.26 -3.90 117.12 116.10 1xiq n MET 143 Ca 0.07 0.32 0.14 0.00 -1.81 0.00 0.00 57.70 56.42 1xiq n MET 143 Cb 0.06 -1.85 0.78 0.00 -0.71 0.00 0.00 33.22 31.49 1xiq n MET 143 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1xiq h LYS 144 N 0.00 0.00 -0.79 0.03 1.63 -1.87 0.47 116.57 116.04 1xiq h LYS 144 Ca 0.00 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.90 1xiq h LYS 144 Cb 0.57 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.15 1xiq h LYS 144 CO 0.00 0.00 0.52 0.93 -3.45 0.00 0.00 179.45 177.45 1xiq h GLU 145 N 0.00 0.69 -0.46 1.90 4.39 -1.79 -0.37 114.58 118.93 1xiq h GLU 145 Ca 0.05 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1xiq h GLU 145 Cb 0.23 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1xiq h GLU 145 CO -0.00 0.45 0.00 0.91 -1.16 0.00 0.00 179.01 179.21 1xiq n TRP 146 N -4.51 0.60 -0.03 4.33 7.02 0.14 -4.17 117.44 120.82 1xiq n TRP 146 Ca 0.13 -0.33 -0.04 0.00 -1.02 0.00 0.00 57.50 56.25 1xiq n TRP 146 Cb 0.34 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.19 1xiq n TRP 146 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1xiq n ILE 147 N 1.42 0.35 -4.04 -0.99 5.41 -1.06 -5.09 119.36 115.36 1xiq n ILE 147 Ca 0.19 -0.16 -0.09 0.00 1.00 0.00 0.00 62.75 63.69 1xiq n ILE 147 Cb 0.58 -0.78 -0.01 0.00 -0.71 0.00 0.00 39.64 38.72 1xiq n ILE 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55