#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 4.19 -0.00 2.12 2.12 -1.25 -4.76 118.70 121.11 1xiq s GLU 2 Ca 0.00 2.40 0.04 0.00 0.36 0.00 0.00 54.97 57.77 1xiq s GLU 2 Cb 0.00 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1xiq s GLU 2 CO 0.00 -0.69 -0.11 0.15 -0.54 0.00 0.00 175.26 174.08 1xiq s LYS 3 N 1.79 2.45 0.07 4.30 1.02 -1.26 -1.24 119.74 126.88 1xiq s LYS 3 Ca 0.73 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 56.01 1xiq s LYS 3 Cb -0.43 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1xiq s LYS 3 CO 0.32 0.60 -0.13 0.45 -0.92 0.00 0.00 175.35 175.67 1xiq s SER 4 N -1.24 1.55 -0.32 2.83 0.15 -0.36 -4.71 113.70 111.61 1xiq s SER 4 Ca 0.15 -0.64 -0.13 0.00 0.70 0.00 0.00 55.95 56.02 1xiq s SER 4 Cb -0.11 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.15 1xiq s SER 4 CO 0.05 -0.12 0.27 0.12 1.20 0.00 0.00 173.24 174.76 1xiq s PHE 5 N -1.49 3.22 -0.14 3.44 5.36 -1.26 -1.74 117.98 125.37 1xiq s PHE 5 Ca -0.01 -0.06 0.02 0.00 -0.96 0.00 0.00 56.93 55.91 1xiq s PHE 5 Cb -0.09 -2.51 0.00 0.00 -0.34 0.00 0.00 43.02 40.08 1xiq s PHE 5 CO 0.02 -0.33 -0.19 0.42 -1.46 0.00 0.00 175.22 173.67 1xiq s ILE 6 N 1.82 2.34 -0.12 3.12 1.09 -0.45 -2.87 121.20 126.14 1xiq s ILE 6 Ca 0.08 -0.89 -0.01 0.00 -1.10 0.00 0.00 60.65 58.73 1xiq s ILE 6 Cb -0.17 -1.95 0.03 0.00 -1.06 0.00 0.00 42.46 39.31 1xiq s ILE 6 CO 0.11 0.54 -0.07 -0.32 -0.10 0.00 0.00 174.94 175.10 1xiq s MET 7 N 0.70 1.45 -0.32 2.79 1.75 -0.72 -0.40 119.30 124.55 1xiq s MET 7 Ca -0.09 -0.25 -0.29 0.00 -1.25 0.00 0.00 55.69 53.81 1xiq s MET 7 Cb -0.16 -1.59 0.00 0.00 2.84 0.00 0.00 34.83 35.93 1xiq s MET 7 CO 0.01 -0.29 1.29 0.42 -0.65 0.00 0.00 175.02 175.81 1xiq s ILE 8 N 1.72 4.13 1.09 10.11 1.01 -0.42 -0.22 121.20 138.63 1xiq s ILE 8 Ca 0.05 1.26 -0.13 0.00 0.00 0.00 0.00 60.65 61.83 1xiq s ILE 8 Cb -0.13 -4.20 0.24 0.00 0.01 0.00 0.00 42.46 38.38 1xiq s ILE 8 CO -0.08 -0.54 1.06 -0.54 0.00 0.00 0.00 174.94 174.84 1xiq s LYS 9 N 4.25 -0.31 0.26 2.79 1.02 0.36 -2.03 119.74 126.08 1xiq s LYS 9 Ca 0.56 0.61 -0.03 0.00 0.02 0.00 0.00 55.97 57.13 1xiq s LYS 9 Cb -0.16 -1.64 0.38 0.00 -0.52 0.00 0.00 37.83 35.89 1xiq s LYS 9 CO 0.24 -3.26 1.89 -1.35 -0.92 0.00 0.00 175.35 171.96 1xiq h PRO 10 N -2.28 1.19 0.00 -1.68 0.11 -1.82 -1.20 132.00 126.32 1xiq h PRO 10 Ca -0.59 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.41 1xiq h PRO 10 Cb 1.34 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1xiq h PRO 10 CO 0.55 0.78 -0.19 0.38 -0.21 0.00 0.00 178.00 179.32 1xiq h ASP 11 N 1.22 0.00 -0.42 -2.05 2.03 -1.88 -0.24 116.42 115.08 1xiq h ASP 11 Ca 0.42 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.64 1xiq h ASP 11 Cb 0.10 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1xiq h ASP 11 CO -0.15 0.19 -0.06 1.23 -1.03 0.00 0.00 179.24 179.41 1xiq h GLY 12 N 1.18 0.85 1.41 7.15 0.00 -1.39 -2.58 103.07 109.70 1xiq h GLY 12 Ca -0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 47.33 46.49 1xiq h GLY 12 CO 0.02 0.62 -0.50 -2.08 0.00 0.00 0.00 176.54 174.60 1xiq h VAL 13 N 0.62 1.31 -0.70 4.60 2.07 -1.13 -1.19 116.25 121.83 1xiq h VAL 13 Ca 0.11 -1.72 -0.07 0.00 0.82 0.00 0.00 66.70 65.85 1xiq h VAL 13 Cb 0.58 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1xiq h VAL 13 CO 0.03 0.54 0.17 1.56 0.02 0.00 0.00 177.57 179.90 1xiq h GLN 14 N 0.49 1.12 -0.06 1.57 1.08 -1.05 -2.45 115.11 115.81 1xiq h GLN 14 Ca 0.02 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1xiq h GLN 14 Cb 1.05 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1xiq h GLN 14 CO 0.10 0.99 0.00 0.54 -0.95 0.00 0.00 178.83 179.51 1xiq n ARG 15 N -4.25 1.38 -3.10 1.46 1.74 -0.98 -4.93 116.66 107.98 1xiq n ARG 15 Ca 0.05 -0.56 -0.13 0.00 -0.77 0.00 0.00 57.85 56.44 1xiq n ARG 15 Cb 0.26 -1.40 0.07 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.02 -0.31 0.52 -0.13 0.00 -0.92 -4.94 105.19 100.43 1xiq n GLY 16 Ca 0.17 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.39 2.47 0.49 0.99 4.77 -0.46 -4.72 117.00 117.15 1xiq n LEU 17 Ca -0.20 -1.61 -0.20 0.00 -0.03 0.00 0.00 56.01 53.97 1xiq n LEU 17 Cb 0.63 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1xiq n LEU 17 CO 0.49 0.58 0.54 0.58 -1.33 0.00 0.00 177.39 178.24 1xiq h VAL 18 N 1.94 0.00 -0.07 4.08 2.07 -1.90 -0.01 116.25 122.36 1xiq h VAL 18 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1xiq h VAL 18 Cb 0.60 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 1xiq h VAL 18 CO 0.00 0.00 -0.31 1.23 0.02 0.00 0.00 177.57 178.51 1xiq h GLY 19 N -1.29 -0.46 -0.34 2.17 0.00 -1.97 -1.44 103.07 99.74 1xiq h GLY 19 Ca -0.13 0.38 0.12 0.00 0.00 0.00 0.00 47.33 47.70 1xiq h GLY 19 CO 0.18 -0.22 -0.23 -0.84 0.00 0.00 0.00 176.54 175.42 1xiq h THR 20 N -0.42 0.28 -0.06 4.70 2.02 -1.85 0.23 112.91 117.81 1xiq h THR 20 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1xiq h THR 20 Cb 0.54 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1xiq h THR 20 CO -0.30 0.00 0.04 0.40 0.37 0.00 0.00 175.52 176.02 1xiq h ILE 21 N -0.08 1.06 0.28 3.11 2.04 -0.70 -2.13 117.51 121.09 1xiq h ILE 21 Ca 0.28 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1xiq h ILE 21 Cb 0.51 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1xiq h ILE 21 CO -0.67 0.05 -0.26 0.40 0.00 0.00 0.00 178.15 177.67 1xiq h ILE 22 N 0.04 0.45 -0.98 -0.67 2.04 -0.55 -1.84 117.51 115.98 1xiq h ILE 22 Ca 0.02 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.17 1xiq h ILE 22 Cb 0.05 0.45 -0.14 0.00 -0.74 0.00 0.00 36.82 36.44 1xiq h ILE 22 CO -0.00 0.00 0.53 0.50 0.00 0.00 0.00 178.15 179.18 1xiq h LYS 23 N -0.57 0.39 -0.79 2.37 3.64 -0.47 0.31 116.57 121.45 1xiq h LYS 23 Ca -0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1xiq h LYS 23 Cb 0.51 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1xiq h LYS 23 CO -0.04 0.26 0.39 0.00 -2.27 0.00 0.00 179.45 177.78 1xiq h ARG 24 N 0.40 1.12 0.07 1.90 3.08 -0.65 -0.45 114.38 119.85 1xiq h ARG 24 Ca 0.68 -0.15 -0.26 0.00 0.07 0.00 0.00 59.98 60.31 1xiq h ARG 24 Cb 1.44 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 31.29 1xiq h ARG 24 CO -0.57 0.85 -1.11 0.74 -1.07 0.00 0.00 179.97 178.82 1xiq h PHE 25 N 1.12 0.73 -0.03 3.04 -1.00 -0.15 -3.06 116.94 117.59 1xiq h PHE 25 Ca 0.27 -0.44 0.00 0.00 2.81 0.00 0.00 57.97 60.61 1xiq h PHE 25 Cb 0.09 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 1xiq h PHE 25 CO 0.01 1.29 0.00 0.93 -1.61 0.00 0.00 178.31 178.93 1xiq h GLU 26 N 0.22 0.01 0.00 1.51 5.08 -0.41 -3.01 114.58 117.99 1xiq h GLU 26 Ca -0.13 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1xiq h GLU 26 Cb 1.77 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.02 1xiq h GLU 26 CO 0.20 0.01 -0.05 0.87 -1.00 0.00 0.00 179.01 179.03 1xiq h LYS 27 N 0.01 0.00 0.00 2.33 1.57 -1.10 -0.54 116.57 118.84 1xiq h LYS 27 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xiq h LYS 27 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1xiq h LYS 27 CO -0.03 0.05 0.00 -0.22 -0.57 0.00 0.00 179.45 178.69 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 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 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 0.53 0.85 3.93 5.01 0.00 -0.21 -5.09 105.19 110.22 1xiq n GLY 29 Ca 0.03 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 3.47 -0.33 1.61 2.02 -1.18 -5.00 117.35 115.93 1xiq s TYR 30 Ca 0.00 0.46 -0.05 0.00 -0.37 0.00 0.00 57.07 57.11 1xiq s TYR 30 Cb 0.00 -2.09 0.05 0.00 -0.40 0.00 0.00 41.96 39.52 1xiq s TYR 30 CO 0.00 -0.09 0.08 0.21 -1.57 0.00 0.00 175.55 174.18 1xiq s LYS 31 N -4.49 2.53 -0.09 -0.62 2.20 -0.33 -4.63 119.74 114.31 1xiq s LYS 31 Ca 0.44 -1.25 -0.30 0.00 -0.36 0.00 0.00 55.97 54.50 1xiq s LYS 31 Cb -0.10 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1xiq s LYS 31 CO 0.39 -0.68 1.24 -1.17 -0.36 0.00 0.00 175.35 174.77 1xiq s LEU 32 N 1.34 4.25 -0.00 5.43 2.96 -1.26 -0.11 118.68 131.29 1xiq s LEU 32 Ca -0.02 1.80 0.01 0.00 -0.22 0.00 0.00 54.13 55.70 1xiq s LEU 32 Cb -0.20 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 1xiq s LEU 32 CO 0.01 -0.66 0.04 2.30 -1.32 0.00 0.00 176.35 176.73 1xiq n ILE 33 N 4.89 0.00 -3.68 6.68 -5.35 -0.71 -4.97 119.36 116.22 1xiq n ILE 33 Ca 0.12 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 1xiq n ILE 33 Cb 0.45 0.70 -0.09 0.00 -1.74 0.00 0.00 39.64 38.96 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 -1.68 -1.37 -0.11 -1.28 0.00 -1.14 -0.78 121.76 115.39 1xiq s ALA 34 Ca -0.00 1.60 -0.14 0.00 0.00 0.00 0.00 51.96 53.42 1xiq s ALA 34 Cb 0.01 -0.93 0.03 0.00 0.00 0.00 0.00 23.12 22.23 1xiq s ALA 34 CO 0.06 -0.27 0.36 -1.50 0.00 0.00 0.00 175.76 174.42 1xiq s ILE 35 N 0.44 0.01 -0.28 0.00 2.07 -1.26 -0.43 121.20 121.76 1xiq s ILE 35 Ca -0.01 -0.11 -0.22 0.00 -1.41 0.00 0.00 60.65 58.90 1xiq s ILE 35 Cb -0.04 -0.55 0.08 0.00 0.13 0.00 0.00 42.46 42.08 1xiq s ILE 35 CO -0.01 -0.06 0.75 -0.75 -1.91 0.00 0.00 174.94 172.96 1xiq s LYS 36 N -0.18 0.74 -0.17 3.50 2.20 -0.44 -4.99 119.74 120.39 1xiq s LYS 36 Ca -0.03 1.02 -0.06 0.00 -0.36 0.00 0.00 55.97 56.53 1xiq s LYS 36 Cb -0.03 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 1xiq s LYS 36 CO 0.02 -0.11 0.03 1.41 -0.36 0.00 0.00 175.35 176.34 1xiq s MET 37 N 0.81 3.88 0.04 4.03 -2.45 -1.26 -0.34 119.30 124.01 1xiq s MET 37 Ca -0.03 -0.40 -0.18 0.00 -1.25 0.00 0.00 55.69 53.83 1xiq s MET 37 Cb -0.05 -3.13 0.04 0.00 1.25 0.00 0.00 34.83 32.94 1xiq s MET 37 CO -0.07 0.26 0.42 -0.48 1.05 0.00 0.00 175.02 176.20 1xiq s LEU 38 N 0.38 0.38 -0.55 4.11 2.34 -0.88 -5.01 118.68 119.45 1xiq s LEU 38 Ca 0.01 0.03 -0.17 0.00 0.06 0.00 0.00 54.13 54.06 1xiq s LEU 38 Cb -0.13 1.75 0.12 0.00 -0.56 0.00 0.00 46.19 47.37 1xiq s LEU 38 CO 0.01 -0.65 0.57 0.20 -1.06 0.00 0.00 176.35 175.41 1xiq s ASN 39 N -1.94 6.19 0.10 1.48 -0.87 -1.26 -2.31 114.94 116.32 1xiq s ASN 39 Ca -0.06 -1.62 -0.32 0.00 -1.57 0.00 0.00 52.86 49.29 1xiq s ASN 39 Cb -0.01 -2.24 -0.11 0.00 -0.02 0.00 0.00 41.25 38.87 1xiq s ASN 39 CO -0.02 -0.94 1.82 -2.65 -2.57 0.00 0.00 177.10 172.75 1xiq n PRO 40 N 5.64 2.64 -2.46 -0.60 -0.02 -1.26 -4.94 135.00 134.00 1xiq n PRO 40 Ca -0.12 0.96 -0.37 0.00 -2.02 0.00 0.00 63.50 61.95 1xiq n PRO 40 Cb 0.41 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.02 1xiq n PRO 40 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1xiq s THR 41 N 2.74 3.55 0.40 3.45 -1.32 -1.26 -4.16 115.64 119.03 1xiq s THR 41 Ca 0.83 1.16 0.20 0.00 -1.21 0.00 0.00 61.69 62.68 1xiq s THR 41 Cb -0.53 -3.59 0.40 0.00 -1.51 0.00 0.00 72.50 67.27 1xiq s THR 41 CO 0.39 -0.01 1.73 -0.33 -2.21 0.00 0.00 174.62 174.20 1xiq h GLU 42 N 2.32 0.33 0.37 7.08 4.39 -1.92 -0.67 114.58 126.48 1xiq h GLU 42 Ca -0.49 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 1xiq h GLU 42 Cb 1.22 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1xiq h GLU 42 CO 0.62 0.22 -0.30 0.93 -1.16 0.00 0.00 179.01 179.32 1xiq h GLU 43 N 0.34 -0.64 -0.17 2.33 4.39 -1.99 -0.37 114.58 118.46 1xiq h GLU 43 Ca 0.65 0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.42 1xiq h GLU 43 Cb 1.71 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.48 1xiq h GLU 43 CO -0.35 -0.43 0.03 0.82 -1.16 0.00 0.00 179.01 177.92 1xiq h ILE 44 N -0.67 0.92 -0.05 3.13 2.04 -1.52 -2.88 117.51 118.49 1xiq h ILE 44 Ca -0.03 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1xiq h ILE 44 Cb 0.58 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1xiq h ILE 44 CO -0.02 0.02 -0.21 -0.07 0.00 0.00 0.00 178.15 177.88 1xiq h LEU 45 N 0.10 0.08 -0.93 1.44 3.38 -1.22 0.13 115.31 118.29 1xiq h LEU 45 Ca 0.08 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1xiq h LEU 45 Cb 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1xiq h LEU 45 CO -0.10 0.30 -0.53 0.11 0.09 0.00 0.00 178.44 178.30 1xiq h LYS 46 N 0.08 0.01 0.08 1.13 1.57 -0.89 -2.10 116.57 116.45 1xiq h LYS 46 Ca 0.01 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1xiq h LYS 46 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1xiq h LYS 46 CO 0.03 0.54 -1.68 0.93 -0.57 0.00 0.00 179.45 178.70 1xiq h GLU 47 N 0.01 0.17 -0.37 3.15 5.08 -1.02 -2.93 114.58 118.67 1xiq h GLU 47 Ca -0.00 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1xiq h GLU 47 Cb 0.95 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1xiq h GLU 47 CO 0.07 0.95 0.11 1.25 -1.00 0.00 0.00 179.01 180.39 1xiq h HIS 48 N 0.05 0.61 -1.47 4.33 2.76 -0.84 -3.15 115.15 117.44 1xiq h HIS 48 Ca -0.29 -0.07 -0.70 0.00 -2.20 0.00 0.00 60.37 57.11 1xiq h HIS 48 Cb 2.01 -0.17 -0.30 0.00 1.55 0.00 0.00 27.41 30.50 1xiq h HIS 48 CO 0.05 0.59 0.73 0.66 -1.30 0.00 0.00 177.93 178.65 1xiq n TYR 49 N -4.61 3.10 0.18 5.26 4.01 -0.79 -4.67 117.16 119.64 1xiq n TYR 49 Ca -0.01 -2.67 0.05 0.00 -0.16 0.00 0.00 57.90 55.12 1xiq n TYR 49 Cb 0.18 -1.16 0.31 0.00 -0.31 0.00 0.00 39.34 38.37 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 2.50 0.00 0.00 -0.72 3.64 -1.47 -2.98 116.57 117.54 1xiq h LYS 50 Ca 0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1xiq h LYS 50 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1xiq h LYS 50 CO 1.41 0.39 -0.06 -1.91 -2.27 0.00 0.00 179.45 177.02 1xiq n GLU 51 N -3.53 0.24 -0.92 1.90 2.13 -1.26 -3.33 120.64 115.87 1xiq n GLU 51 Ca -0.00 0.19 0.04 0.00 0.66 0.00 0.00 57.16 58.05 1xiq n GLU 51 Cb 0.52 -1.77 0.38 0.00 0.27 0.00 0.00 31.44 30.85 1xiq n GLU 51 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1xiq n LEU 52 N -2.18 5.81 -0.04 4.31 7.99 -1.12 -4.39 117.00 127.37 1xiq n LEU 52 Ca 0.05 -3.00 -0.16 0.00 -0.01 0.00 0.00 56.01 52.89 1xiq n LEU 52 Cb 0.42 -0.70 -0.07 0.00 -0.11 0.00 0.00 43.42 42.97 1xiq n LEU 52 CO 0.31 0.67 0.36 0.28 -1.51 0.00 0.00 177.39 177.49 1xiq h SER 53 N 3.69 0.84 0.00 -1.43 0.02 -1.66 -3.27 113.55 111.74 1xiq h SER 53 Ca 0.06 -0.60 -0.25 0.00 -0.84 0.00 0.00 61.79 60.15 1xiq h SER 53 Cb 2.06 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 64.30 1xiq h SER 53 CO 0.54 1.29 0.20 0.47 -1.14 0.00 0.00 176.83 178.19 1xiq n ASP 54 N -4.07 5.71 -3.89 3.07 9.92 -1.26 -4.80 116.55 121.22 1xiq n ASP 54 Ca -0.07 -2.49 -0.11 0.00 -0.53 0.00 0.00 54.79 51.59 1xiq n ASP 54 Cb 0.65 -1.43 -0.13 0.00 -0.64 0.00 0.00 41.12 39.57 1xiq n ASP 54 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1xiq s GLN 55 N 1.17 0.11 0.13 -1.24 -1.52 -1.23 -5.08 119.66 111.99 1xiq s GLN 55 Ca 0.67 -0.13 -0.21 0.00 -1.95 0.00 0.00 55.36 53.74 1xiq s GLN 55 Cb 0.30 0.04 -0.04 0.00 -0.22 0.00 0.00 33.01 33.09 1xiq s GLN 55 CO -0.01 -0.02 1.70 -1.35 -0.25 0.00 0.00 175.29 175.36 1xiq h PRO 56 N 5.71 -0.05 -3.93 2.91 0.11 -1.90 -3.32 132.00 131.54 1xiq h PRO 56 Ca -0.26 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.07 1xiq h PRO 56 Cb 1.21 0.01 -0.25 0.00 0.11 0.00 0.00 31.00 32.08 1xiq h PRO 56 CO 0.47 -0.03 0.02 -0.06 -0.21 0.00 0.00 178.00 178.19 1xiq s PHE 57 N -6.19 3.61 0.00 0.65 0.40 -1.26 -4.68 117.98 110.51 1xiq s PHE 57 Ca -0.14 -1.78 0.00 0.00 -0.60 0.00 0.00 56.93 54.41 1xiq s PHE 57 Cb 0.10 -3.82 0.00 0.00 0.51 0.00 0.00 43.02 39.81 1xiq s PHE 57 CO 0.68 -1.01 0.00 0.34 0.70 0.00 0.00 175.22 175.93 1xiq n PHE 58 N 4.38 0.00 0.17 0.36 7.35 -1.25 -4.49 117.46 123.98 1xiq n PHE 58 Ca 0.06 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.78 1xiq n PHE 58 Cb 0.45 0.00 0.31 0.00 0.35 0.00 0.00 39.48 40.59 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 0.00 -4.13 1.79 -1.90 -2.39 116.57 109.93 1xiq h LYS 59 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1xiq h LYS 59 Cb 0.88 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 1xiq h LYS 59 CO 0.00 0.44 -0.79 -0.91 -1.08 0.00 0.00 179.45 177.11 1xiq h ASN 60 N 0.00 0.00 0.49 0.86 4.21 -1.94 -3.05 115.58 116.15 1xiq h ASN 60 Ca -0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 1xiq h ASN 60 Cb 0.88 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1xiq h ASN 60 CO 0.06 0.48 -0.24 0.25 -1.29 0.00 0.00 177.43 176.69 1xiq h LEU 61 N 0.00 -0.56 -0.83 1.61 6.46 -1.72 -1.66 115.31 118.62 1xiq h LEU 61 Ca -0.05 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1xiq h LEU 61 Cb 1.41 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.49 1xiq h LEU 61 CO 0.05 -0.25 0.00 1.33 -0.62 0.00 0.00 178.44 178.96 1xiq n VAL 62 N -5.29 0.91 0.02 1.05 0.24 -0.93 -2.38 118.33 111.95 1xiq n VAL 62 Ca -0.11 0.36 0.05 0.00 -2.04 0.00 0.00 64.34 62.59 1xiq n VAL 62 Cb 0.31 -1.30 -0.10 0.00 -1.47 0.00 0.00 33.84 31.28 1xiq n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xiq n ALA 63 N -1.76 2.27 0.00 2.33 0.00 -1.15 -2.31 120.51 119.89 1xiq n ALA 63 Ca 0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 1xiq n ALA 63 Cb 0.18 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 1xiq n ALA 63 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1xiq h TYR 64 N 0.00 -0.08 -0.06 0.00 3.20 -0.92 -2.75 116.97 116.35 1xiq h TYR 64 Ca -0.13 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.58 1xiq h TYR 64 Cb 1.36 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 1xiq h TYR 64 CO 0.00 0.49 -0.67 0.82 -1.64 0.00 0.00 178.16 177.16 1xiq h ILE 65 N -0.73 1.40 0.00 1.81 2.04 -1.68 -2.29 117.51 118.05 1xiq h ILE 65 Ca -0.01 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.74 1xiq h ILE 65 Cb 0.60 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1xiq h ILE 65 CO 0.01 0.62 0.00 -1.28 0.00 0.00 0.00 178.15 177.51 1xiq h SER 66 N 0.19 0.00 0.00 1.72 0.87 -1.57 -3.32 113.55 111.44 1xiq h SER 66 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1xiq h SER 66 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1xiq h SER 66 CO 0.11 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 177.58 1xiq n LYS 67 N -3.03 0.00 -0.52 2.24 3.00 -0.91 -4.50 118.16 114.44 1xiq n LYS 67 Ca -0.01 0.06 -0.29 0.00 -0.00 0.00 0.00 58.31 58.07 1xiq n LYS 67 Cb 0.21 -0.54 0.24 0.00 0.00 0.00 0.00 35.03 34.94 1xiq n LYS 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xiq n GLY 68 N 2.43 -2.07 3.85 3.14 0.00 -0.94 -4.90 105.19 106.70 1xiq n GLY 68 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 1xiq n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xiq s PRO 69 N -4.20 3.91 -0.01 1.61 0.04 -1.26 -4.68 135.00 130.42 1xiq s PRO 69 Ca 0.66 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1xiq s PRO 69 Cb -0.23 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.17 1xiq s PRO 69 CO 0.65 -0.27 -0.01 0.08 0.04 0.00 0.00 177.00 177.50 1xiq s VAL 70 N -2.64 0.10 -0.40 -0.36 1.01 -0.98 -2.96 120.40 114.17 1xiq s VAL 70 Ca 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 1xiq s VAL 70 Cb -0.10 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.22 1xiq s VAL 70 CO 0.33 0.06 0.22 -0.69 0.00 0.00 0.00 175.10 175.02 1xiq s VAL 71 N 0.31 4.08 0.06 2.92 1.01 -0.86 -2.06 120.40 125.86 1xiq s VAL 71 Ca -0.03 -1.39 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 1xiq s VAL 71 Cb -0.05 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1xiq s VAL 71 CO -0.01 -0.45 0.70 0.00 0.00 0.00 0.00 175.10 175.34 1xiq s ALA 72 N 1.40 3.44 0.03 5.51 0.00 0.54 -1.30 121.76 131.39 1xiq s ALA 72 Ca 0.02 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 1xiq s ALA 72 Cb -0.22 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1xiq s ALA 72 CO 0.02 0.18 -0.03 -1.64 0.00 0.00 0.00 175.76 174.29 1xiq s MET 73 N -0.46 0.45 -0.09 0.00 -1.94 0.46 -1.32 119.30 116.40 1xiq s MET 73 Ca 0.35 -0.90 0.03 0.00 -1.71 0.00 0.00 55.69 53.46 1xiq s MET 73 Cb -0.20 0.16 0.01 0.00 2.01 0.00 0.00 34.83 36.80 1xiq s MET 73 CO 0.22 -0.08 -0.19 0.08 -0.01 0.00 0.00 175.02 175.04 1xiq s VAL 74 N -2.62 1.67 0.08 -6.03 1.01 0.43 -1.34 120.40 113.60 1xiq s VAL 74 Ca -0.05 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1xiq s VAL 74 Cb -0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1xiq s VAL 74 CO -0.05 0.47 -0.24 0.26 0.00 0.00 0.00 175.10 175.54 1xiq s TRP 75 N 0.54 2.38 0.07 5.22 0.52 -0.71 -1.73 118.94 125.22 1xiq s TRP 75 Ca -0.16 -0.36 0.07 0.00 0.02 0.00 0.00 56.10 55.68 1xiq s TRP 75 Cb -0.17 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 1xiq s TRP 75 CO 0.06 0.24 -0.20 -2.00 0.02 0.00 0.00 176.95 175.07 1xiq s GLU 76 N -1.62 1.24 0.00 4.98 2.12 0.84 -1.22 118.70 125.04 1xiq s GLU 76 Ca 0.14 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 54.44 1xiq s GLU 76 Cb -0.10 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 32.88 1xiq s GLU 76 CO 0.05 0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 1xiq n GLY 77 N 1.51 3.49 3.66 -1.50 0.00 -0.37 -1.18 105.19 110.80 1xiq n GLY 77 Ca -0.18 -1.26 -0.47 0.00 0.00 0.00 0.00 46.02 44.11 1xiq n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xiq n VAL 78 N -1.51 0.22 -4.04 1.61 0.31 -1.26 -1.97 118.33 111.68 1xiq n VAL 78 Ca 0.00 -0.06 -0.28 0.00 -0.01 0.00 0.00 64.34 64.00 1xiq n VAL 78 Cb 0.00 -1.40 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 1xiq n VAL 78 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xiq n ASP 79 N 2.99 -0.22 -0.06 4.52 2.03 -1.26 -4.89 116.55 119.66 1xiq n ASP 79 Ca 0.16 -1.09 -0.11 0.00 0.52 0.00 0.00 54.79 54.27 1xiq n ASP 79 Cb 0.28 -2.64 -0.05 0.00 -0.72 0.00 0.00 41.12 37.99 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 -1.85 0.31 0.18 -0.67 1.85 -1.63 -2.52 114.93 110.61 1xiq h MET 80 Ca -0.64 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 58.37 1xiq h MET 80 Cb 1.38 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.37 1xiq h MET 80 CO 0.64 0.41 -0.09 0.28 -0.40 0.00 0.00 176.91 177.75 1xiq h VAL 81 N 0.14 0.85 -0.25 -5.77 2.07 -1.87 -0.86 116.25 110.57 1xiq h VAL 81 Ca 0.06 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1xiq h VAL 81 Cb 0.24 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1xiq h VAL 81 CO -0.00 0.04 0.12 0.11 0.02 0.00 0.00 177.57 177.85 1xiq h LYS 82 N -0.32 0.37 -0.02 1.57 6.56 -1.89 -1.90 116.57 120.94 1xiq h LYS 82 Ca -0.03 -0.06 -0.12 0.00 -1.06 0.00 0.00 60.65 59.38 1xiq h LYS 82 Cb 0.25 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 1xiq h LYS 82 CO 0.04 0.38 -0.57 1.96 -2.06 0.00 0.00 179.45 179.21 1xiq h GLN 83 N 0.27 0.06 -0.20 3.15 1.08 -1.42 0.12 115.11 118.18 1xiq h GLN 83 Ca 0.09 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1xiq h GLN 83 Cb 0.14 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1xiq h GLN 83 CO -0.01 0.61 0.07 0.78 -0.95 0.00 0.00 178.83 179.33 1xiq h GLY 84 N 1.63 0.33 0.72 3.46 0.00 -0.98 0.16 103.07 108.40 1xiq h GLY 84 Ca -0.00 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.19 1xiq h GLY 84 CO 0.08 0.18 0.48 3.21 0.00 0.00 0.00 176.54 180.49 1xiq h ARG 85 N 0.16 0.86 -0.52 4.80 3.08 -0.89 -0.68 114.38 121.19 1xiq h ARG 85 Ca 0.07 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1xiq h ARG 85 Cb 0.22 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1xiq h ARG 85 CO -0.00 0.57 0.15 -0.22 -1.07 0.00 0.00 179.97 179.40 1xiq h LYS 86 N 0.89 0.82 -0.07 0.04 3.64 -0.39 0.18 116.57 121.68 1xiq h LYS 86 Ca 0.35 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1xiq h LYS 86 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1xiq h LYS 86 CO -0.17 0.76 -0.30 -0.07 -2.27 0.00 0.00 179.45 177.40 1xiq h LEU 87 N 0.72 0.13 0.02 5.20 3.38 -0.31 -3.22 115.31 121.22 1xiq h LEU 87 Ca 0.17 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xiq h LEU 87 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1xiq h LEU 87 CO -0.00 0.44 -0.01 0.40 0.09 0.00 0.00 178.44 179.36 1xiq h ILE 88 N 0.12 1.38 0.00 1.22 2.04 -0.82 -1.45 117.51 120.00 1xiq h ILE 88 Ca 0.02 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.96 1xiq h ILE 88 Cb 0.60 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1xiq h ILE 88 CO 0.04 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.25 1xiq n GLY 89 N 1.43 -1.54 3.61 5.37 0.00 0.62 -1.55 105.19 113.13 1xiq n GLY 89 Ca -0.08 -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 -0.66 0.25 0.14 1.61 8.01 -1.26 -4.85 118.70 121.94 1xiq s GLU 90 Ca 0.00 0.99 -0.15 0.00 0.01 0.00 0.00 54.97 55.82 1xiq s GLU 90 Cb 0.00 -1.68 0.00 0.00 -4.31 0.00 0.00 34.13 28.14 1xiq s GLU 90 CO 0.00 -2.98 1.67 1.15 0.01 0.00 0.00 175.26 175.12 1xiq h THR 91 N -2.09 1.21 -3.53 3.63 2.02 -1.98 -3.39 112.91 108.78 1xiq h THR 91 Ca -0.53 -0.68 -0.61 0.00 0.77 0.00 0.00 66.41 65.36 1xiq h THR 91 Cb 1.30 0.85 -0.11 0.00 -1.74 0.00 0.00 68.15 68.45 1xiq h THR 91 CO 0.50 0.24 0.38 0.21 0.37 0.00 0.00 175.52 177.22 1xiq s ASN 92 N -5.94 6.55 0.00 4.18 2.47 -1.26 -4.66 114.94 116.28 1xiq s ASN 92 Ca -0.13 0.35 0.08 0.00 0.42 0.00 0.00 52.86 53.58 1xiq s ASN 92 Cb 0.10 -2.40 0.34 0.00 -1.45 0.00 0.00 41.25 37.84 1xiq s ASN 92 CO 0.76 -0.74 1.25 -2.65 -3.72 0.00 0.00 177.10 172.01 1xiq n PRO 93 N 6.43 0.00 0.07 0.43 -0.02 -1.26 -1.92 135.00 138.74 1xiq n PRO 93 Ca 0.03 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.74 1xiq n PRO 93 Cb 0.48 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.30 -0.09 2.45 3.38 -1.85 -3.31 115.31 116.20 1xiq h LEU 94 Ca 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1xiq h LEU 94 Cb 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xiq h LEU 94 CO 0.00 1.29 -0.56 0.35 0.09 0.00 0.00 178.44 179.61 1xiq n THR 95 N -3.44 0.00 -2.65 0.22 -2.24 -0.81 -4.91 114.28 100.45 1xiq n THR 95 Ca -0.10 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1xiq n THR 95 Cb 1.01 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.63 1xiq n THR 95 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xiq s SER 96 N -2.93 7.45 0.60 3.42 1.04 -0.81 -4.88 113.70 117.59 1xiq s SER 96 Ca 0.12 1.97 -0.18 0.00 0.48 0.00 0.00 55.95 58.34 1xiq s SER 96 Cb 0.17 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1xiq s SER 96 CO 0.71 -0.06 1.17 0.20 0.98 0.00 0.00 173.24 176.24 1xiq s ASN 97 N -0.44 5.25 0.45 7.02 0.01 -1.26 -4.56 114.94 121.42 1xiq s ASN 97 Ca 0.46 2.26 -0.22 0.00 -0.71 0.00 0.00 52.86 54.65 1xiq s ASN 97 Cb -0.27 -2.59 -0.08 0.00 0.41 0.00 0.00 41.25 38.73 1xiq s ASN 97 CO 0.33 -1.54 1.10 0.42 -1.51 0.00 0.00 177.10 175.90 1xiq s THR 98 N -1.79 3.42 0.00 1.60 -4.23 -1.26 -3.05 115.64 110.33 1xiq s THR 98 Ca 0.74 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 62.27 1xiq s THR 98 Cb -0.27 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1xiq s THR 98 CO 0.33 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 1xiq n GLY 99 N 0.27 2.07 3.87 3.99 0.00 -1.26 -5.03 105.19 109.10 1xiq n GLY 99 Ca 0.07 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.10 4.72 0.10 2.61 -4.23 -1.17 -4.91 115.64 110.66 1xiq s THR 100 Ca 0.00 0.84 -0.31 0.00 -1.18 0.00 0.00 61.69 61.05 1xiq s THR 100 Cb 0.00 -3.87 -0.12 0.00 1.34 0.00 0.00 72.50 69.85 1xiq s THR 100 CO 0.00 -1.12 1.61 0.40 -0.54 0.00 0.00 174.62 174.97 1xiq h ILE 101 N -0.27 0.27 -0.14 2.99 2.04 -1.27 -0.31 117.51 120.82 1xiq h ILE 101 Ca -0.44 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1xiq h ILE 101 Cb 1.19 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1xiq h ILE 101 CO 0.62 0.00 -0.21 0.03 0.00 0.00 0.00 178.15 178.59 1xiq h ARG 102 N -0.69 0.24 0.00 2.37 3.08 -1.54 -0.27 114.38 117.57 1xiq h ARG 102 Ca -0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xiq h ARG 102 Cb 0.65 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1xiq h ARG 102 CO -0.11 0.45 -0.19 0.41 -1.07 0.00 0.00 179.97 179.46 1xiq n GLY 103 N -0.67 -1.53 0.10 0.04 0.00 -1.14 -1.75 105.19 100.23 1xiq n GLY 103 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.93 0.14 0.00 1.61 9.92 -0.14 -4.64 116.55 121.51 1xiq n ASP 104 Ca 0.05 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1xiq n ASP 104 Cb 0.40 0.86 0.00 0.00 -0.64 0.00 0.00 41.12 41.74 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 -2.79 0.00 -4.44 1.24 3.72 -0.16 -5.08 117.46 109.95 1xiq n PHE 105 Ca -0.32 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.83 1xiq n PHE 105 Cb 1.15 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.58 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 -0.29 0.30 -4.25 0.00 4.77 -1.26 -4.72 117.00 111.55 1xiq n LEU 107 Ca -0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 1xiq n LEU 107 Cb 0.58 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1xiq n LEU 107 CO 0.35 0.05 -0.55 -0.70 -1.33 0.00 0.00 177.39 175.21 1xiq s GLU 108 N -1.60 2.10 0.55 3.23 2.12 -1.26 -4.43 118.70 119.42 1xiq s GLU 108 Ca 0.00 -0.83 0.31 0.00 0.36 0.00 0.00 54.97 54.80 1xiq s GLU 108 Cb 0.00 -1.91 1.58 0.00 0.26 0.00 0.00 34.13 34.06 1xiq s GLU 108 CO 0.00 0.43 2.11 -0.24 -0.54 0.00 0.00 175.26 177.02 1xiq h VAL 109 N 4.81 0.42 -0.04 3.70 3.04 -1.97 -1.17 116.25 125.04 1xiq h VAL 109 Ca -0.37 -0.44 -0.13 0.00 -1.01 0.00 0.00 66.70 64.75 1xiq h VAL 109 Cb 1.15 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.72 1xiq h VAL 109 CO 0.47 0.08 -0.56 -1.28 -1.01 0.00 0.00 177.57 175.27 1xiq h SER 110 N 0.00 0.13 -2.62 3.17 0.87 -1.95 -3.35 113.55 109.80 1xiq h SER 110 Ca -0.00 -0.07 -0.60 0.00 -1.23 0.00 0.00 61.79 59.88 1xiq h SER 110 Cb 0.30 -0.04 -0.41 0.00 -0.44 0.00 0.00 62.40 61.81 1xiq h SER 110 CO 0.01 0.67 -0.71 0.29 -0.53 0.00 0.00 176.83 176.55 1xiq n LYS 111 N -3.89 1.55 -1.09 2.24 4.76 -0.45 -4.91 118.16 116.37 1xiq n LYS 111 Ca -0.02 -4.14 -0.12 0.00 -2.87 0.00 0.00 58.31 51.17 1xiq n LYS 111 Cb 0.58 -2.05 0.16 0.00 -1.84 0.00 0.00 35.03 31.88 1xiq n LYS 111 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xiq n ASN 112 N 1.82 3.44 0.00 4.39 0.23 -1.20 -4.36 115.26 119.59 1xiq n ASN 112 Ca 0.24 -3.79 0.00 0.00 -0.53 0.00 0.00 54.58 50.51 1xiq n ASN 112 Cb 0.41 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1xiq n ASN 112 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1xiq n VAL 113 N -1.04 0.00 -4.01 3.53 0.24 -1.26 -4.76 118.33 111.03 1xiq n VAL 113 Ca 0.39 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.58 1xiq n VAL 113 Cb 1.01 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.27 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 0.28 -0.05 1.34 2.07 -1.26 0.13 121.20 123.71 1xiq s ILE 114 Ca 0.00 -0.89 0.02 0.00 -1.41 0.00 0.00 60.65 58.37 1xiq s ILE 114 Cb 0.00 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 42.18 1xiq s ILE 114 CO 0.00 -0.39 -0.09 -2.28 -1.91 0.00 0.00 174.94 170.26 1xiq s HIS 115 N -1.27 2.86 0.04 3.50 5.65 0.70 -4.87 115.29 121.90 1xiq s HIS 115 Ca -0.12 -0.04 0.05 0.00 0.25 0.00 0.00 55.06 55.20 1xiq s HIS 115 Cb -0.09 -1.67 -0.02 0.00 -1.18 0.00 0.00 32.58 29.62 1xiq s HIS 115 CO -0.00 0.29 -0.14 0.20 -0.65 0.00 0.00 174.74 174.44 1xiq s GLY 116 N -0.86 0.79 0.33 1.59 0.00 -1.26 -1.76 107.32 106.15 1xiq s GLY 116 Ca 0.13 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.72 1xiq s GLY 116 CO 0.02 -0.82 1.32 -0.56 0.00 0.00 0.00 173.10 173.06 1xiq s SER 117 N -1.21 6.75 0.18 1.64 0.01 -1.14 -4.95 113.70 114.98 1xiq s SER 117 Ca 0.01 2.70 0.19 0.00 1.31 0.00 0.00 55.95 60.16 1xiq s SER 117 Cb -0.08 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 1xiq s SER 117 CO 0.01 -0.56 1.08 -2.24 0.41 0.00 0.00 173.24 171.94 1xiq h ASP 118 N 3.50 0.00 -5.18 2.44 2.03 -1.92 -3.44 116.42 113.85 1xiq h ASP 118 Ca -0.49 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.72 1xiq h ASP 118 Cb 1.23 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.59 1xiq h ASP 118 CO 0.66 0.34 -0.43 -0.94 -1.03 0.00 0.00 179.24 177.84 1xiq s SER 119 N -5.83 0.19 0.25 4.15 1.04 -1.26 -4.95 113.70 107.29 1xiq s SER 119 Ca 0.00 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 1xiq s SER 119 Cb 0.08 0.32 0.37 0.00 0.10 0.00 0.00 66.02 66.89 1xiq s SER 119 CO 0.78 -0.71 1.84 0.58 0.98 0.00 0.00 173.24 176.70 1xiq h VAL 120 N 2.82 0.99 -0.63 5.02 2.07 -1.93 0.67 116.25 125.26 1xiq h VAL 120 Ca -0.34 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1xiq h VAL 120 Cb 1.19 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1xiq h VAL 120 CO 0.58 0.17 0.08 0.00 0.02 0.00 0.00 177.57 178.41 1xiq h ALA 121 N 1.43 0.95 -0.39 1.67 0.00 -1.97 -2.11 119.26 118.84 1xiq h ALA 121 Ca 0.39 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1xiq h ALA 121 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xiq h ALA 121 CO -0.20 0.65 -0.16 1.03 0.00 0.00 0.00 179.25 180.57 1xiq h SER 122 N 0.98 0.73 0.25 0.00 0.87 -1.82 -3.04 113.55 111.52 1xiq h SER 122 Ca 0.19 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1xiq h SER 122 Cb 0.45 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1xiq h SER 122 CO 0.02 0.89 -0.12 0.00 -0.53 0.00 0.00 176.83 177.09 1xiq h ALA 123 N 1.17 -0.34 -0.34 6.23 0.00 -0.56 -1.13 119.26 124.30 1xiq h ALA 123 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xiq h ALA 123 Cb 0.63 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1xiq h ALA 123 CO 0.04 -0.61 0.18 -0.91 0.00 0.00 0.00 179.25 177.96 1xiq h ASN 124 N -0.50 0.40 0.06 0.00 2.35 -1.41 1.00 115.58 117.48 1xiq h ASN 124 Ca -0.03 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1xiq h ASN 124 Cb 0.37 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1xiq h ASN 124 CO 0.06 0.33 -0.03 0.50 -1.65 0.00 0.00 177.43 176.64 1xiq h LYS 125 N 0.47 -0.08 -0.77 0.81 3.64 -1.48 -2.94 116.57 116.22 1xiq h LYS 125 Ca 0.12 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1xiq h LYS 125 Cb 0.02 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1xiq h LYS 125 CO -0.02 0.16 0.39 0.93 -2.27 0.00 0.00 179.45 178.64 1xiq h GLU 126 N -0.31 1.09 -0.53 1.90 5.08 0.10 -2.67 114.58 119.24 1xiq h GLU 126 Ca -0.01 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1xiq h GLU 126 Cb 0.28 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1xiq h GLU 126 CO 0.01 0.83 0.31 0.82 -1.00 0.00 0.00 179.01 179.99 1xiq h ILE 127 N 1.07 1.16 -0.50 3.13 2.04 -0.92 -2.25 117.51 121.24 1xiq h ILE 127 Ca 0.27 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1xiq h ILE 127 Cb 0.08 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1xiq h ILE 127 CO -0.04 0.17 0.13 0.78 0.00 0.00 0.00 178.15 179.19 1xiq h ASN 128 N 0.71 0.70 0.40 1.72 4.21 -1.30 0.69 115.58 122.71 1xiq h ASN 128 Ca 0.19 -0.11 -0.23 0.00 1.21 0.00 0.00 56.30 57.35 1xiq h ASN 128 Cb -0.00 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.02 1xiq h ASN 128 CO -0.03 0.69 -1.00 -0.29 -1.29 0.00 0.00 177.43 175.50 1xiq h ILE 129 N 0.74 1.42 0.03 2.81 6.09 -1.25 -3.35 117.51 123.99 1xiq h ILE 129 Ca 0.17 -2.57 -0.30 0.00 -1.37 0.00 0.00 64.86 60.78 1xiq h ILE 129 Cb 0.26 2.53 -0.04 0.00 0.47 0.00 0.00 36.82 40.03 1xiq h ILE 129 CO -0.00 0.76 -1.73 -0.50 -3.07 0.00 0.00 178.15 173.61 1xiq h TRP 130 N 0.19 0.11 -3.50 2.19 4.06 -1.25 -3.48 115.95 114.27 1xiq h TRP 130 Ca -0.09 -0.08 -0.57 0.00 2.06 0.00 0.00 58.89 60.20 1xiq h TRP 130 Cb 1.65 -0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 29.61 1xiq h TRP 130 CO 0.06 1.17 -0.81 -0.06 -3.56 0.00 0.00 178.44 175.24 1xiq s PHE 131 N -2.59 1.95 0.33 0.49 0.40 0.22 -5.10 117.98 113.68 1xiq s PHE 131 Ca -0.08 -0.42 -0.08 0.00 -0.60 0.00 0.00 56.93 55.74 1xiq s PHE 131 Cb 0.08 -1.00 -0.06 0.00 0.51 0.00 0.00 43.02 42.54 1xiq s PHE 131 CO 0.82 0.33 0.65 0.15 0.70 0.00 0.00 175.22 177.86 1xiq s LYS 132 N -2.46 3.73 0.33 0.44 1.02 -1.26 -4.49 119.74 117.04 1xiq s LYS 132 Ca 0.14 0.25 0.03 0.00 0.02 0.00 0.00 55.97 56.41 1xiq s LYS 132 Cb -0.08 -2.54 0.62 0.00 -0.52 0.00 0.00 37.83 35.31 1xiq s LYS 132 CO 0.07 0.12 1.95 0.00 -0.92 0.00 0.00 175.35 176.57 1xiq h ALA 133 N 1.64 1.58 0.00 5.17 0.00 -1.95 -0.82 119.26 124.88 1xiq h ALA 133 Ca -0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xiq h ALA 133 Cb 1.19 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xiq h ALA 133 CO 0.65 0.32 -0.01 1.05 0.00 0.00 0.00 179.25 181.26 1xiq h GLU 134 N 0.91 0.00 -0.06 0.00 4.11 -2.04 -2.75 114.58 114.74 1xiq h GLU 134 Ca 0.33 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.56 1xiq h GLU 134 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xiq h GLU 134 CO -0.11 0.01 -0.81 0.93 0.07 0.00 0.00 179.01 179.10 1xiq h GLU 135 N 0.00 0.44 -6.23 1.06 5.08 -1.53 -3.42 114.58 109.98 1xiq h GLU 135 Ca -0.00 -0.39 -0.57 0.00 -1.00 0.00 0.00 59.36 57.40 1xiq h GLU 135 Cb 0.01 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1xiq h GLU 135 CO 0.00 1.04 1.26 -0.51 -1.00 0.00 0.00 179.01 179.80 1xiq s LEU 136 N -7.91 3.74 -0.10 1.33 1.43 -1.04 -4.71 118.68 111.42 1xiq s LEU 136 Ca -0.06 1.69 -0.15 0.00 -1.03 0.00 0.00 54.13 54.59 1xiq s LEU 136 Cb 0.10 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 1xiq s LEU 136 CO 0.85 -1.51 0.37 0.42 0.23 0.00 0.00 176.35 176.71 1xiq s THR 137 N 6.25 5.21 -0.19 5.49 -4.23 0.04 -5.03 115.64 123.18 1xiq s THR 137 Ca 0.82 0.72 -0.17 0.00 -1.18 0.00 0.00 61.69 61.88 1xiq s THR 137 Cb -0.28 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1xiq s THR 137 CO 0.33 0.43 0.44 0.00 -0.54 0.00 0.00 174.62 175.29 1xiq s GLN 138 N 0.02 4.19 0.00 3.99 -2.07 -1.26 -4.79 119.66 119.75 1xiq s GLN 138 Ca 0.21 0.29 -0.13 0.00 -1.82 0.00 0.00 55.36 53.91 1xiq s GLN 138 Cb -0.14 -3.54 0.02 0.00 -1.09 0.00 0.00 33.01 28.26 1xiq s GLN 138 CO 0.08 -0.06 0.28 1.67 -1.32 0.00 0.00 175.29 175.94 1xiq s TRP 139 N 1.37 -0.11 -0.27 9.60 1.48 -1.26 -5.13 118.94 124.62 1xiq s TRP 139 Ca 0.21 0.10 -0.26 0.00 -1.06 0.00 0.00 56.10 55.09 1xiq s TRP 139 Cb -0.15 0.07 0.00 0.00 -1.16 0.00 0.00 33.47 32.23 1xiq s TRP 139 CO 0.09 -0.40 0.91 0.21 -4.06 0.00 0.00 176.95 173.69 1xiq s LYS 140 N -1.70 4.13 -0.29 3.25 2.20 -1.26 -5.02 119.74 121.05 1xiq s LYS 140 Ca -0.11 0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 56.19 1xiq s LYS 140 Cb -0.04 -3.68 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1xiq s LYS 140 CO 0.02 -0.65 1.11 -1.58 -0.36 0.00 0.00 175.35 173.88 1xiq s HIS 141 N 3.09 3.11 0.29 4.03 5.65 -1.26 -4.91 115.29 125.29 1xiq s HIS 141 Ca 0.38 1.20 -0.02 0.00 0.25 0.00 0.00 55.06 56.87 1xiq s HIS 141 Cb -0.14 -3.64 0.44 0.00 -1.18 0.00 0.00 32.58 28.06 1xiq s HIS 141 CO 0.10 -0.88 1.93 1.25 -0.65 0.00 0.00 174.74 176.49 1xiq h HIS 142 N 8.12 1.10 -0.00 3.88 2.76 -2.05 -2.79 115.15 126.17 1xiq h HIS 142 Ca -0.21 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1xiq h HIS 142 Cb 1.07 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.66 1xiq h HIS 142 CO 0.82 0.64 -0.13 -1.33 -1.30 0.00 0.00 177.93 176.64 1xiq n MET 143 N -4.44 0.36 0.29 5.26 2.81 -1.26 -3.93 117.12 116.21 1xiq n MET 143 Ca 0.12 -0.10 0.14 0.00 -1.81 0.00 0.00 57.70 56.06 1xiq n MET 143 Cb 0.10 -1.50 0.87 0.00 -0.71 0.00 0.00 33.22 31.98 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 0.24 0.00 -0.95 0.03 1.63 -1.89 -0.03 116.57 115.60 1xiq h LYS 144 Ca 0.00 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.95 1xiq h LYS 144 Cb 0.41 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.94 1xiq h LYS 144 CO 0.00 0.03 0.56 1.49 -3.45 0.00 0.00 179.45 178.08 1xiq h GLU 145 N 0.00 0.78 -0.48 1.90 4.81 -1.80 -0.53 114.58 119.27 1xiq h GLU 145 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1xiq h GLU 145 Cb 0.08 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1xiq h GLU 145 CO 0.00 0.52 0.00 0.91 -0.73 0.00 0.00 179.01 179.71 1xiq n TRP 146 N -4.75 0.62 -0.02 0.92 7.02 -0.04 -4.11 117.44 117.09 1xiq n TRP 146 Ca 0.20 -0.31 -0.02 0.00 -1.02 0.00 0.00 57.50 56.34 1xiq n TRP 146 Cb 0.45 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.31 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 1.49 0.27 -4.29 -0.99 5.41 -1.08 -5.09 119.36 115.09 1xiq n ILE 147 Ca 0.21 -0.15 -0.28 0.00 1.00 0.00 0.00 62.75 63.53 1xiq n ILE 147 Cb 0.60 -0.82 -0.06 0.00 -0.71 0.00 0.00 39.64 38.65 1xiq n ILE 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55