#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 4.20 0.06 2.12 2.12 -1.24 -4.76 118.70 121.20 1xiq s GLU 2 Ca 0.00 2.36 0.05 0.00 0.36 0.00 0.00 54.97 57.74 1xiq s GLU 2 Cb 0.00 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1xiq s GLU 2 CO 0.00 -0.69 -0.08 0.15 -0.54 0.00 0.00 175.26 174.10 1xiq s LYS 3 N 2.01 2.35 0.07 4.30 1.02 -1.26 -1.31 119.74 126.92 1xiq s LYS 3 Ca 0.73 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.88 1xiq s LYS 3 Cb -0.42 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1xiq s LYS 3 CO 0.32 0.55 -0.10 0.45 -0.92 0.00 0.00 175.35 175.65 1xiq s SER 4 N -1.82 1.28 -0.30 2.83 0.15 -0.34 -4.72 113.70 110.78 1xiq s SER 4 Ca 0.19 -0.66 -0.12 0.00 0.70 0.00 0.00 55.95 56.06 1xiq s SER 4 Cb -0.11 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1xiq s SER 4 CO 0.11 -0.19 0.22 0.12 1.20 0.00 0.00 173.24 174.70 1xiq s PHE 5 N -1.74 3.22 -0.13 3.44 5.36 -1.26 -1.76 117.98 125.12 1xiq s PHE 5 Ca -0.02 0.06 0.02 0.00 -0.96 0.00 0.00 56.93 56.03 1xiq s PHE 5 Cb -0.07 -2.43 0.00 0.00 -0.34 0.00 0.00 43.02 40.18 1xiq s PHE 5 CO 0.01 -0.22 -0.21 0.42 -1.46 0.00 0.00 175.22 173.76 1xiq s ILE 6 N 1.78 2.24 -0.11 3.12 1.09 -0.69 -2.66 121.20 125.97 1xiq s ILE 6 Ca 0.08 -0.93 -0.01 0.00 -1.10 0.00 0.00 60.65 58.69 1xiq s ILE 6 Cb -0.16 -1.89 0.03 0.00 -1.06 0.00 0.00 42.46 39.37 1xiq s ILE 6 CO 0.11 0.54 -0.06 -0.32 -0.10 0.00 0.00 174.94 175.12 1xiq s MET 7 N 0.64 1.32 -0.32 2.79 1.75 -0.66 -0.27 119.30 124.55 1xiq s MET 7 Ca -0.11 -0.22 -0.29 0.00 -1.25 0.00 0.00 55.69 53.82 1xiq s MET 7 Cb -0.16 -1.54 -0.00 0.00 2.84 0.00 0.00 34.83 35.96 1xiq s MET 7 CO 0.02 -0.31 1.41 0.42 -0.65 0.00 0.00 175.02 175.92 1xiq s ILE 8 N 1.75 3.96 0.98 10.11 1.01 -0.22 -0.25 121.20 138.53 1xiq s ILE 8 Ca 0.04 1.05 -0.12 0.00 0.00 0.00 0.00 60.65 61.62 1xiq s ILE 8 Cb -0.13 -4.07 0.18 0.00 0.01 0.00 0.00 42.46 38.45 1xiq s ILE 8 CO -0.08 -0.52 1.08 -0.54 0.00 0.00 0.00 174.94 174.88 1xiq s LYS 9 N 4.56 0.59 0.28 2.79 3.01 0.39 -2.10 119.74 129.25 1xiq s LYS 9 Ca 0.62 0.92 0.02 0.00 -1.01 0.00 0.00 55.97 56.52 1xiq s LYS 9 Cb -0.17 -1.72 0.59 0.00 -1.01 0.00 0.00 37.83 35.51 1xiq s LYS 9 CO 0.28 -2.73 1.81 -1.35 0.51 0.00 0.00 175.35 173.86 1xiq h PRO 10 N -1.91 0.86 0.00 -1.68 0.11 -1.80 -0.15 132.00 127.42 1xiq h PRO 10 Ca -0.52 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.49 1xiq h PRO 10 Cb 1.30 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1xiq h PRO 10 CO 0.52 0.57 -0.25 0.38 -0.21 0.00 0.00 178.00 179.00 1xiq h ASP 11 N 0.88 0.00 -0.50 -2.05 2.03 -1.88 -0.40 116.42 114.50 1xiq h ASP 11 Ca 0.51 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.81 1xiq h ASP 11 Cb 0.61 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.08 1xiq h ASP 11 CO -0.31 0.25 0.30 1.23 -1.03 0.00 0.00 179.24 179.69 1xiq h GLY 12 N 0.90 0.73 1.42 7.15 0.00 -1.18 -2.38 103.07 109.70 1xiq h GLY 12 Ca -0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 1xiq h GLY 12 CO 0.03 0.29 -0.58 -2.08 0.00 0.00 0.00 176.54 174.21 1xiq h VAL 13 N 0.67 1.32 -0.48 4.60 2.07 -1.04 -1.75 116.25 121.65 1xiq h VAL 13 Ca 0.18 -1.83 -0.08 0.00 0.82 0.00 0.00 66.70 65.79 1xiq h VAL 13 Cb -0.01 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1xiq h VAL 13 CO -0.03 0.57 -0.02 1.56 0.02 0.00 0.00 177.57 179.66 1xiq h GLN 14 N 0.46 0.80 -0.07 1.57 1.08 -1.05 -2.39 115.11 115.51 1xiq h GLN 14 Ca 0.00 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1xiq h GLN 14 Cb 1.14 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1xiq h GLN 14 CO 0.11 0.82 0.00 0.54 -0.95 0.00 0.00 178.83 179.35 1xiq n ARG 15 N -4.20 1.60 -3.11 1.46 1.74 -0.90 -4.94 116.66 108.30 1xiq n ARG 15 Ca 0.02 -0.89 -0.13 0.00 -0.77 0.00 0.00 57.85 56.08 1xiq n ARG 15 Cb 0.32 -1.44 0.07 0.00 -1.02 0.00 0.00 32.46 30.39 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 1.12 -0.31 0.46 -0.13 0.00 -0.90 -4.93 105.19 100.49 1xiq n GLY 16 Ca 0.18 0.07 0.04 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 -3.42 2.43 0.47 0.99 4.77 -0.67 -4.72 117.00 116.85 1xiq n LEU 17 Ca -0.20 -1.69 -0.20 0.00 -0.03 0.00 0.00 56.01 53.89 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 0.55 0.58 -1.33 0.00 0.00 177.39 178.26 1xiq h VAL 18 N 1.66 0.04 -0.18 4.08 2.07 -1.89 0.69 116.25 122.72 1xiq h VAL 18 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1xiq h VAL 18 Cb 0.59 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1xiq h VAL 18 CO 0.00 0.00 -0.42 1.23 0.02 0.00 0.00 177.57 178.40 1xiq h GLY 19 N -1.24 -0.67 -0.05 2.17 0.00 -1.97 -1.57 103.07 99.74 1xiq h GLY 19 Ca -0.12 0.52 0.12 0.00 0.00 0.00 0.00 47.33 47.85 1xiq h GLY 19 CO 0.16 -0.22 -0.03 -0.84 0.00 0.00 0.00 176.54 175.62 1xiq h THR 20 N -0.46 0.49 0.12 4.70 2.02 -1.84 0.89 112.91 118.84 1xiq h THR 20 Ca 0.09 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1xiq h THR 20 Cb 0.61 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1xiq h THR 20 CO -0.43 0.02 -0.06 0.40 0.37 0.00 0.00 175.52 175.82 1xiq h ILE 21 N 0.09 0.91 -0.11 3.11 2.04 -0.54 -1.99 117.51 121.02 1xiq h ILE 21 Ca 0.30 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 66.09 1xiq h ILE 21 Cb 0.49 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1xiq h ILE 21 CO -0.53 0.02 -0.08 0.40 0.00 0.00 0.00 178.15 177.97 1xiq h ILE 22 N -0.21 0.77 -0.90 -0.67 2.04 -0.85 -1.51 117.51 116.17 1xiq h ILE 22 Ca -0.02 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.09 1xiq h ILE 22 Cb 0.17 0.77 -0.14 0.00 -0.74 0.00 0.00 36.82 36.87 1xiq h ILE 22 CO 0.03 0.00 0.33 0.11 0.00 0.00 0.00 178.15 178.62 1xiq h LYS 23 N -0.08 0.27 -0.83 2.37 1.79 -0.65 0.28 116.57 119.71 1xiq h LYS 23 Ca 0.07 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1xiq h LYS 23 Cb 0.19 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 1xiq h LYS 23 CO -0.16 0.18 0.38 0.00 -1.08 0.00 0.00 179.45 178.76 1xiq h ARG 24 N 0.28 1.21 -0.08 3.15 3.08 -0.51 -0.15 114.38 121.35 1xiq h ARG 24 Ca 0.59 -0.19 -0.24 0.00 0.07 0.00 0.00 59.98 60.21 1xiq h ARG 24 Cb 1.20 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 31.05 1xiq h ARG 24 CO -0.62 0.94 -0.89 0.74 -1.07 0.00 0.00 179.97 179.07 1xiq h PHE 25 N 1.19 0.98 -0.17 3.04 -1.00 -0.27 -3.05 116.94 117.68 1xiq h PHE 25 Ca 0.28 -0.48 -0.00 0.00 2.81 0.00 0.00 57.97 60.58 1xiq h PHE 25 Cb 0.15 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1xiq h PHE 25 CO 0.02 1.31 0.10 0.93 -1.61 0.00 0.00 178.31 179.05 1xiq h GLU 26 N 0.44 0.23 0.00 1.51 5.08 -0.35 -2.90 114.58 118.58 1xiq h GLU 26 Ca -0.08 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1xiq h GLU 26 Cb 1.52 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 1xiq h GLU 26 CO 0.17 0.21 -0.09 0.87 -1.00 0.00 0.00 179.01 179.17 1xiq h LYS 27 N 0.18 0.00 0.00 2.33 1.79 -1.06 -1.22 116.57 118.60 1xiq h LYS 27 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1xiq h LYS 27 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1xiq h LYS 27 CO -0.01 0.09 0.00 -0.22 -1.08 0.00 0.00 179.45 178.23 1xiq h LYS 28 N 0.00 0.00 0.00 3.15 1.63 -1.40 -3.46 116.57 116.50 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 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 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 -0.28 0.78 3.94 5.01 0.00 -0.46 -5.09 105.19 109.09 1xiq n GLY 29 Ca 0.01 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 3.37 -0.32 1.61 2.02 -1.15 -5.00 117.35 115.87 1xiq s TYR 30 Ca 0.00 0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 57.11 1xiq s TYR 30 Cb 0.00 -2.26 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 1xiq s TYR 30 CO 0.00 -0.28 0.05 0.21 -1.57 0.00 0.00 175.55 173.96 1xiq s LYS 31 N -4.59 2.38 -0.12 -0.62 2.20 -0.24 -4.66 119.74 114.09 1xiq s LYS 31 Ca 0.47 -1.34 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 1xiq s LYS 31 Cb -0.10 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1xiq s LYS 31 CO 0.40 -0.70 1.45 -1.17 -0.36 0.00 0.00 175.35 174.97 1xiq s LEU 32 N 1.25 4.23 -0.00 5.43 2.96 -1.26 0.01 118.68 131.31 1xiq s LEU 32 Ca -0.02 1.93 0.01 0.00 -0.22 0.00 0.00 54.13 55.83 1xiq s LEU 32 Cb -0.20 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1xiq s LEU 32 CO -0.01 -0.85 0.03 2.30 -1.32 0.00 0.00 176.35 176.50 1xiq n ILE 33 N 5.45 0.00 -3.72 6.68 -5.35 -0.75 -4.98 119.36 116.70 1xiq n ILE 33 Ca 0.16 -0.13 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 1xiq n ILE 33 Cb 0.44 0.60 -0.10 0.00 -1.74 0.00 0.00 39.64 38.83 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 -1.85 -1.03 -0.14 -1.28 0.00 -1.11 -0.94 121.76 115.40 1xiq s ALA 34 Ca -0.00 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1xiq s ALA 34 Cb 0.01 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.38 1xiq s ALA 34 CO 0.05 -0.23 0.36 -1.50 0.00 0.00 0.00 175.76 174.44 1xiq s ILE 35 N 0.73 -0.01 -0.22 0.00 2.07 -1.26 -0.74 121.20 121.76 1xiq s ILE 35 Ca -0.04 0.04 -0.21 0.00 -1.41 0.00 0.00 60.65 59.03 1xiq s ILE 35 Cb -0.05 -0.51 0.06 0.00 0.13 0.00 0.00 42.46 42.08 1xiq s ILE 35 CO -0.05 0.02 0.61 -0.75 -1.91 0.00 0.00 174.94 172.85 1xiq s LYS 36 N 0.62 0.71 -0.15 3.50 2.20 -0.48 -5.01 119.74 121.14 1xiq s LYS 36 Ca -0.04 0.83 -0.04 0.00 -0.36 0.00 0.00 55.97 56.36 1xiq s LYS 36 Cb -0.05 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.59 1xiq s LYS 36 CO -0.04 -0.09 -0.00 1.41 -0.36 0.00 0.00 175.35 176.27 1xiq s MET 37 N 0.29 3.64 0.01 4.03 -2.45 -1.26 -0.42 119.30 123.14 1xiq s MET 37 Ca -0.00 -0.45 -0.21 0.00 -1.25 0.00 0.00 55.69 53.78 1xiq s MET 37 Cb -0.04 -2.98 0.04 0.00 1.25 0.00 0.00 34.83 33.10 1xiq s MET 37 CO 0.01 0.33 0.47 -0.48 1.05 0.00 0.00 175.02 176.40 1xiq s LEU 38 N 0.14 0.16 -0.57 4.11 2.34 -0.88 -5.01 118.68 118.98 1xiq s LEU 38 Ca 0.01 0.21 -0.18 0.00 0.06 0.00 0.00 54.13 54.22 1xiq s LEU 38 Cb -0.13 1.90 0.10 0.00 -0.56 0.00 0.00 46.19 47.50 1xiq s LEU 38 CO 0.02 -0.62 0.65 0.20 -1.06 0.00 0.00 176.35 175.54 1xiq s ASN 39 N -1.68 6.19 0.23 1.48 -0.87 -1.26 -2.47 114.94 116.55 1xiq s ASN 39 Ca -0.08 -1.44 -0.30 0.00 -1.57 0.00 0.00 52.86 49.46 1xiq s ASN 39 Cb -0.02 -2.28 -0.10 0.00 -0.02 0.00 0.00 41.25 38.83 1xiq s ASN 39 CO 0.02 -1.04 1.45 -2.84 -2.57 0.00 0.00 177.10 172.12 1xiq s PRO 40 N 2.46 4.27 0.57 -0.60 0.02 -1.26 -4.97 135.00 135.50 1xiq s PRO 40 Ca 0.10 2.29 -0.19 0.00 0.02 0.00 0.00 61.00 63.22 1xiq s PRO 40 Cb -0.25 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.10 1xiq s PRO 40 CO 0.06 -0.45 1.17 0.95 -0.33 0.00 0.00 177.00 178.41 1xiq s THR 41 N 0.25 2.88 -0.04 0.99 -4.23 -1.26 -4.51 115.64 109.71 1xiq s THR 41 Ca 0.61 0.54 0.29 0.00 -1.18 0.00 0.00 61.69 61.95 1xiq s THR 41 Cb -0.42 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.50 1xiq s THR 41 CO 0.40 -0.12 1.87 -0.08 -0.54 0.00 0.00 174.62 176.15 1xiq h GLU 42 N 1.02 0.00 0.16 3.99 4.81 -1.93 -1.76 114.58 120.88 1xiq h GLU 42 Ca -0.50 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.38 1xiq h GLU 42 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1xiq h GLU 42 CO 0.56 0.00 -1.75 0.93 -0.73 0.00 0.00 179.01 178.02 1xiq h GLU 43 N 0.00 0.35 -0.77 1.92 3.07 -1.98 -0.30 114.58 116.86 1xiq h GLU 43 Ca 0.00 -0.59 -0.03 0.00 -0.50 0.00 0.00 59.36 58.24 1xiq h GLU 43 Cb 0.15 0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 1xiq h GLU 43 CO 0.00 1.26 0.38 0.82 -1.40 0.00 0.00 179.01 180.07 1xiq h ILE 44 N 0.09 1.24 -0.00 3.13 2.04 -1.79 -2.91 117.51 119.32 1xiq h ILE 44 Ca -0.34 -0.66 -0.18 0.00 1.00 0.00 0.00 64.86 64.68 1xiq h ILE 44 Cb 2.08 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1xiq h ILE 44 CO 0.16 0.28 -0.80 -0.07 0.00 0.00 0.00 178.15 177.72 1xiq h LEU 45 N 1.08 0.13 -1.31 1.44 3.38 -1.44 -2.74 115.31 115.86 1xiq h LEU 45 Ca 0.27 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.27 1xiq h LEU 45 Cb 0.10 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1xiq h LEU 45 CO -0.04 0.88 0.56 0.11 0.09 0.00 0.00 178.44 180.04 1xiq h LYS 46 N 0.06 0.67 0.08 1.13 1.57 -0.85 -2.00 116.57 117.22 1xiq h LYS 46 Ca -0.02 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.40 1xiq h LYS 46 Cb 1.41 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1xiq h LYS 46 CO 0.11 0.44 -1.70 0.93 -0.57 0.00 0.00 179.45 178.66 1xiq h GLU 47 N 0.69 0.16 -0.95 3.15 5.08 -1.54 -3.23 114.58 117.94 1xiq h GLU 47 Ca 0.43 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1xiq h GLU 47 Cb 0.67 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1xiq h GLU 47 CO -0.19 0.93 0.62 1.25 -1.00 0.00 0.00 179.01 180.62 1xiq h HIS 48 N 0.04 1.20 -0.83 4.33 2.76 -1.17 -2.75 115.15 118.74 1xiq h HIS 48 Ca -0.30 0.02 -0.56 0.00 -2.20 0.00 0.00 60.37 57.33 1xiq h HIS 48 Cb 2.01 -0.40 -0.32 0.00 1.55 0.00 0.00 27.41 30.25 1xiq h HIS 48 CO 0.04 0.76 0.17 0.66 -1.30 0.00 0.00 177.93 178.26 1xiq n TYR 49 N -4.38 2.79 -0.04 5.26 4.01 -0.78 -4.61 117.16 119.41 1xiq n TYR 49 Ca 0.11 -2.50 -0.14 0.00 -0.16 0.00 0.00 57.90 55.20 1xiq n TYR 49 Cb 0.02 -0.93 -0.08 0.00 -0.31 0.00 0.00 39.34 38.04 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 1.87 0.39 -0.30 -0.72 3.11 -1.50 -2.27 116.57 117.15 1xiq h LYS 50 Ca 0.48 -0.27 -0.00 0.00 -2.81 0.00 0.00 60.65 58.05 1xiq h LYS 50 Cb 1.30 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.56 1xiq h LYS 50 CO 1.13 0.88 0.18 1.49 -2.81 0.00 0.00 179.45 180.32 1xiq h GLU 51 N -0.04 0.40 -0.69 1.90 4.81 -1.82 -1.66 114.58 117.49 1xiq h GLU 51 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xiq h GLU 51 Cb 0.89 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1xiq h GLU 51 CO 0.06 0.29 0.00 1.28 -0.73 0.00 0.00 179.01 179.91 1xiq n LEU 52 N -4.47 4.05 0.00 1.64 7.99 -1.17 -3.88 117.00 121.16 1xiq n LEU 52 Ca 0.01 -2.05 0.10 0.00 -0.01 0.00 0.00 56.01 54.06 1xiq n LEU 52 Cb 0.08 -0.59 0.51 0.00 -0.11 0.00 0.00 43.42 43.32 1xiq n LEU 52 CO 0.35 0.53 0.81 -0.24 -1.51 0.00 0.00 177.39 177.33 1xiq n SER 53 N 0.50 0.00 -2.50 -1.43 2.88 -0.63 -3.71 113.62 108.75 1xiq n SER 53 Ca 0.19 -0.05 -0.29 0.00 -1.33 0.00 0.00 58.87 57.39 1xiq n SER 53 Cb 0.84 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1xiq n SER 53 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1xiq n ASP 54 N -1.26 6.71 -3.86 -3.46 2.03 -1.25 -4.89 116.55 110.57 1xiq n ASP 54 Ca 0.10 -3.33 -0.13 0.00 0.52 0.00 0.00 54.79 51.96 1xiq n ASP 54 Cb 0.15 -1.18 -0.14 0.00 -0.72 0.00 0.00 41.12 39.23 1xiq n ASP 54 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1xiq s GLN 55 N -2.23 0.00 0.18 -0.67 -0.44 -1.24 -5.07 119.66 110.19 1xiq s GLN 55 Ca 0.55 0.03 -0.14 0.00 -2.50 0.00 0.00 55.36 53.30 1xiq s GLN 55 Cb 0.38 -0.05 0.16 0.00 -1.64 0.00 0.00 33.01 31.86 1xiq s GLN 55 CO -0.23 -0.03 1.72 -1.35 0.50 0.00 0.00 175.29 175.91 1xiq h PRO 56 N 6.34 0.22 -4.23 1.67 0.11 -1.94 -3.33 132.00 130.85 1xiq h PRO 56 Ca -0.28 -0.01 -0.76 0.00 0.11 0.00 0.00 66.00 65.06 1xiq h PRO 56 Cb 1.20 -0.05 -0.23 0.00 0.11 0.00 0.00 31.00 32.02 1xiq h PRO 56 CO 0.51 0.15 0.53 0.12 -0.21 0.00 0.00 178.00 179.09 1xiq s PHE 57 N -6.15 3.65 0.00 0.65 5.36 -1.26 -4.69 117.98 115.55 1xiq s PHE 57 Ca -0.13 -1.98 0.00 0.00 -0.96 0.00 0.00 56.93 53.86 1xiq s PHE 57 Cb 0.15 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 1xiq s PHE 57 CO 0.72 -1.17 0.00 0.34 -1.46 0.00 0.00 175.22 173.65 1xiq n PHE 58 N 4.65 0.00 0.30 10.12 7.35 -1.25 -4.40 117.46 134.22 1xiq n PHE 58 Ca 0.21 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 57.08 1xiq n PHE 58 Cb 0.46 0.00 0.90 0.00 0.35 0.00 0.00 39.48 41.19 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 1.57 -1.91 -2.20 116.57 109.91 1xiq h LYS 59 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xiq h LYS 59 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1xiq h LYS 59 CO 0.00 0.04 -1.60 0.09 -0.57 0.00 0.00 179.45 177.40 1xiq n ASN 60 N -3.28 0.34 0.02 0.86 4.13 -1.26 -4.40 115.26 111.68 1xiq n ASN 60 Ca -0.02 0.13 -0.18 0.00 1.68 0.00 0.00 54.58 56.19 1xiq n ASN 60 Cb 0.19 1.37 -0.14 0.00 -1.54 0.00 0.00 39.78 39.67 1xiq n ASN 60 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1xiq h LEU 61 N 0.00 0.40 -1.15 3.41 5.85 -1.61 -3.14 115.31 119.08 1xiq h LEU 61 Ca -0.00 -0.92 -0.06 0.00 0.84 0.00 0.00 57.88 57.74 1xiq h LEU 61 Cb 1.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1xiq h LEU 61 CO 0.00 1.28 -0.09 -0.37 -0.34 0.00 0.00 178.44 178.92 1xiq h VAL 62 N -0.42 1.22 -0.53 1.05 -1.51 -1.76 -2.55 116.25 111.74 1xiq h VAL 62 Ca -0.11 -0.94 -0.11 0.00 -1.23 0.00 0.00 66.70 64.31 1xiq h VAL 62 Cb 1.46 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 1xiq h VAL 62 CO 0.12 0.31 -0.11 0.00 -1.23 0.00 0.00 177.57 176.66 1xiq h ALA 63 N 1.45 0.73 0.61 5.19 0.00 -1.77 -2.41 119.26 123.07 1xiq h ALA 63 Ca 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1xiq h ALA 63 Cb 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xiq h ALA 63 CO 0.02 0.64 -0.30 -0.92 0.00 0.00 0.00 179.25 178.69 1xiq h TYR 64 N 0.89 -0.79 0.00 0.00 3.20 -1.41 -2.45 116.97 116.40 1xiq h TYR 64 Ca 0.14 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1xiq h TYR 64 Cb 0.68 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 1xiq h TYR 64 CO 0.05 -0.48 -0.02 0.82 -1.64 0.00 0.00 178.16 176.88 1xiq h ILE 65 N -0.83 0.15 -0.51 1.81 2.04 -1.57 -1.69 117.51 116.92 1xiq h ILE 65 Ca -0.08 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 1xiq h ILE 65 Cb 0.64 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1xiq h ILE 65 CO 0.13 0.02 -0.10 -1.28 0.00 0.00 0.00 178.15 176.92 1xiq h SER 66 N 0.00 0.97 0.06 1.72 0.87 -1.25 -3.36 113.55 112.56 1xiq h SER 66 Ca -0.00 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1xiq h SER 66 Cb 0.16 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1xiq h SER 66 CO 0.00 1.10 -0.03 0.50 -0.53 0.00 0.00 176.83 177.87 1xiq h LYS 67 N 0.83 -0.07 -7.21 2.24 3.11 -0.82 -3.36 116.57 111.28 1xiq h LYS 67 Ca 0.13 0.00 -0.45 0.00 -2.81 0.00 0.00 60.65 57.53 1xiq h LYS 67 Cb 0.66 0.02 0.20 0.00 -1.00 0.00 0.00 32.23 32.10 1xiq h LYS 67 CO 0.05 -0.05 0.07 0.20 -2.81 0.00 0.00 179.45 176.91 1xiq s GLY 68 N -1.41 1.56 0.59 5.01 0.00 -1.20 -4.92 107.32 106.95 1xiq s GLY 68 Ca -0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 44.72 44.40 1xiq s GLY 68 CO 0.03 0.52 1.05 2.56 0.00 0.00 0.00 173.10 177.26 1xiq s PRO 69 N -4.61 3.36 -0.01 2.90 0.04 -1.26 -4.68 135.00 130.73 1xiq s PRO 69 Ca 0.67 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1xiq s PRO 69 Cb -0.23 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1xiq s PRO 69 CO 0.62 -0.78 0.01 0.08 0.04 0.00 0.00 177.00 176.98 1xiq s VAL 70 N -2.53 0.01 -0.39 -0.36 1.01 -1.03 -2.78 120.40 114.32 1xiq s VAL 70 Ca 0.63 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 1xiq s VAL 70 Cb -0.15 -0.09 0.07 0.00 0.00 0.00 0.00 36.38 36.20 1xiq s VAL 70 CO 0.38 0.07 0.21 -0.69 0.00 0.00 0.00 175.10 175.07 1xiq s VAL 71 N 0.63 4.06 0.08 2.92 1.01 -0.89 -2.06 120.40 126.15 1xiq s VAL 71 Ca -0.05 -1.34 -0.21 0.00 0.00 0.00 0.00 61.98 60.37 1xiq s VAL 71 Cb -0.08 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1xiq s VAL 71 CO -0.02 -0.42 0.63 0.00 0.00 0.00 0.00 175.10 175.29 1xiq s ALA 72 N 1.41 3.53 0.04 5.51 0.00 0.44 -1.06 121.76 131.62 1xiq s ALA 72 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 1xiq s ALA 72 Cb -0.22 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1xiq s ALA 72 CO 0.02 0.31 -0.01 -1.64 0.00 0.00 0.00 175.76 174.44 1xiq s MET 73 N -0.88 0.52 -0.07 0.00 -1.94 0.63 -1.38 119.30 116.18 1xiq s MET 73 Ca 0.31 -0.98 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 1xiq s MET 73 Cb -0.20 0.18 0.00 0.00 2.01 0.00 0.00 34.83 36.82 1xiq s MET 73 CO 0.20 -0.10 -0.19 0.08 -0.01 0.00 0.00 175.02 175.00 1xiq s VAL 74 N -3.02 1.65 0.01 -6.03 1.01 0.08 -1.71 120.40 112.40 1xiq s VAL 74 Ca -0.01 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1xiq s VAL 74 Cb 0.01 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1xiq s VAL 74 CO -0.07 0.47 -0.24 0.26 0.00 0.00 0.00 175.10 175.52 1xiq s TRP 75 N 0.29 2.40 0.10 5.22 0.52 -0.72 -1.81 118.94 124.94 1xiq s TRP 75 Ca -0.12 -0.38 0.10 0.00 0.02 0.00 0.00 56.10 55.73 1xiq s TRP 75 Cb -0.15 -1.47 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1xiq s TRP 75 CO 0.05 0.08 -0.26 -2.00 0.02 0.00 0.00 176.95 174.84 1xiq s GLU 76 N -0.94 1.49 0.00 4.98 2.12 0.10 -1.20 118.70 125.25 1xiq s GLU 76 Ca 0.11 -1.27 0.00 0.00 0.36 0.00 0.00 54.97 54.17 1xiq s GLU 76 Cb -0.10 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.40 1xiq s GLU 76 CO 0.01 0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 1xiq n GLY 77 N 1.17 2.89 3.73 -1.50 0.00 -0.42 -1.08 105.19 109.97 1xiq n GLY 77 Ca -0.18 -1.30 -0.42 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 2.40 -1.36 1.61 0.11 -1.26 -2.29 120.40 117.61 1xiq s VAL 78 Ca 0.00 0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 59.27 1xiq s VAL 78 Cb 0.00 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 1xiq s VAL 78 CO 0.00 0.04 0.44 -0.67 -3.33 0.00 0.00 175.10 171.58 1xiq n ASP 79 N 3.11 -1.53 -0.11 3.54 2.03 -1.26 -4.89 116.55 117.43 1xiq n ASP 79 Ca 0.11 -1.10 -0.13 0.00 0.52 0.00 0.00 54.79 54.19 1xiq n ASP 79 Cb 0.38 -2.64 -0.03 0.00 -0.72 0.00 0.00 41.12 38.11 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 -1.95 0.85 0.07 -0.67 1.85 -1.69 -2.58 114.93 110.81 1xiq h MET 80 Ca -0.65 -0.44 -0.00 0.00 -0.61 0.00 0.00 59.70 57.99 1xiq h MET 80 Cb 1.38 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.42 1xiq h MET 80 CO 0.60 1.08 -0.03 0.28 -0.40 0.00 0.00 176.91 178.44 1xiq h VAL 81 N 0.65 1.10 -0.32 -5.77 2.07 -1.87 -0.93 116.25 111.19 1xiq h VAL 81 Ca 0.06 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1xiq h VAL 81 Cb 0.91 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1xiq h VAL 81 CO 0.08 0.15 0.09 0.50 0.02 0.00 0.00 177.57 178.42 1xiq h LYS 82 N -0.37 0.50 -0.23 1.57 1.63 -1.89 -2.16 116.57 115.62 1xiq h LYS 82 Ca -0.01 -0.11 -0.11 0.00 -0.85 0.00 0.00 60.65 59.56 1xiq h LYS 82 Cb 0.32 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1xiq h LYS 82 CO 0.02 0.55 -0.35 0.37 -3.45 0.00 0.00 179.45 176.59 1xiq h GLN 83 N 0.36 0.48 -0.55 1.90 5.75 -1.46 0.67 115.11 122.26 1xiq h GLN 83 Ca 0.10 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 1xiq h GLN 83 Cb 0.26 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 1xiq h GLN 83 CO -0.00 0.77 0.23 0.78 -2.65 0.00 0.00 178.83 177.95 1xiq h GLY 84 N 1.07 0.87 1.22 2.39 0.00 -1.06 0.14 103.07 107.70 1xiq h GLY 84 Ca 0.05 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1xiq h GLY 84 CO 0.07 0.44 0.22 3.21 0.00 0.00 0.00 176.54 180.48 1xiq h ARG 85 N 0.74 0.99 -0.09 4.80 3.08 -0.89 -0.55 114.38 122.46 1xiq h ARG 85 Ca 0.18 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xiq h ARG 85 Cb 0.19 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1xiq h ARG 85 CO -0.02 0.83 0.05 0.87 -1.07 0.00 0.00 179.97 180.64 1xiq h LYS 86 N 0.96 0.12 -0.26 0.04 1.79 -0.47 0.87 116.57 119.61 1xiq h LYS 86 Ca 0.22 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 1xiq h LYS 86 Cb 0.25 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1xiq h LYS 86 CO -0.01 0.10 0.05 -0.07 -1.08 0.00 0.00 179.45 178.44 1xiq h LEU 87 N 0.10 0.33 0.02 2.94 3.38 -0.42 -3.15 115.31 118.51 1xiq h LEU 87 Ca 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xiq h LEU 87 Cb 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1xiq h LEU 87 CO -0.01 0.35 -0.01 0.40 0.09 0.00 0.00 178.44 179.26 1xiq h ILE 88 N 0.36 1.38 0.00 1.22 2.04 -0.89 -1.11 117.51 120.51 1xiq h ILE 88 Ca 0.09 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1xiq h ILE 88 Cb 0.16 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1xiq h ILE 88 CO -0.00 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.19 1xiq n GLY 89 N 1.29 -1.94 3.57 5.37 0.00 0.28 -1.44 105.19 112.33 1xiq n GLY 89 Ca -0.08 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.61 -0.23 0.08 1.61 2.02 -1.26 -4.84 118.70 115.47 1xiq s GLU 90 Ca 0.00 0.83 -0.21 0.00 0.02 0.00 0.00 54.97 55.61 1xiq s GLU 90 Cb 0.00 -1.64 -0.11 0.00 0.10 0.00 0.00 34.13 32.49 1xiq s GLU 90 CO 0.00 -3.26 1.62 1.15 0.02 0.00 0.00 175.26 174.79 1xiq h THR 91 N -2.29 1.16 -3.53 3.63 2.02 -1.98 -3.40 112.91 108.53 1xiq h THR 91 Ca -0.57 -0.48 -0.58 0.00 0.77 0.00 0.00 66.41 65.55 1xiq h THR 91 Cb 1.32 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 68.84 1xiq h THR 91 CO 0.52 0.15 0.72 0.21 0.37 0.00 0.00 175.52 177.49 1xiq s ASN 92 N -5.55 6.70 0.00 4.18 2.47 -1.26 -4.67 114.94 116.80 1xiq s ASN 92 Ca -0.14 0.59 0.10 0.00 0.42 0.00 0.00 52.86 53.84 1xiq s ASN 92 Cb 0.07 -2.50 0.46 0.00 -1.45 0.00 0.00 41.25 37.82 1xiq s ASN 92 CO 0.70 -0.97 1.31 -2.65 -3.72 0.00 0.00 177.10 171.77 1xiq n PRO 93 N 7.08 0.03 0.12 0.43 -0.02 -1.26 -1.74 135.00 139.64 1xiq n PRO 93 Ca 0.09 0.30 -0.20 0.00 -2.02 0.00 0.00 63.50 61.67 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 0.66 -0.49 2.45 -0.00 -1.84 -3.31 115.31 112.78 1xiq h LEU 94 Ca 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 57.88 57.19 1xiq h LEU 94 Cb 0.16 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1xiq h LEU 94 CO 0.00 1.53 -0.46 0.35 -0.00 0.00 0.00 178.44 179.86 1xiq n THR 95 N -3.65 0.00 -2.47 0.22 -2.24 -0.81 -4.91 114.28 100.43 1xiq n THR 95 Ca -0.13 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 1xiq n THR 95 Cb 1.05 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.95 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 -2.65 7.17 0.59 3.42 0.15 -0.71 -4.88 113.70 116.78 1xiq s SER 96 Ca 0.18 2.07 -0.18 0.00 0.70 0.00 0.00 55.95 58.72 1xiq s SER 96 Cb 0.18 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1xiq s SER 96 CO 0.61 -0.34 1.15 0.54 1.20 0.00 0.00 173.24 176.40 1xiq s ASN 97 N 0.42 5.41 0.43 5.45 2.20 -1.26 -4.57 114.94 123.02 1xiq s ASN 97 Ca 0.54 2.20 -0.25 0.00 -0.94 0.00 0.00 52.86 54.40 1xiq s ASN 97 Cb -0.30 -2.58 -0.08 0.00 -2.00 0.00 0.00 41.25 36.30 1xiq s ASN 97 CO 0.33 -1.43 1.26 0.42 -2.94 0.00 0.00 177.10 174.73 1xiq s THR 98 N -1.85 2.76 0.00 0.54 -4.23 -1.26 -3.09 115.64 108.51 1xiq s THR 98 Ca 0.73 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 1xiq s THR 98 Cb -0.25 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1xiq s THR 98 CO 0.32 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 1xiq n GLY 99 N 0.63 1.76 3.86 3.99 0.00 -1.26 -5.02 105.19 109.16 1xiq n GLY 99 Ca 0.05 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.01 4.61 0.11 2.61 -4.23 -1.18 -4.90 115.64 110.65 1xiq s THR 100 Ca 0.00 0.94 -0.24 0.00 -1.18 0.00 0.00 61.69 61.21 1xiq s THR 100 Cb 0.00 -3.80 -0.09 0.00 1.34 0.00 0.00 72.50 69.96 1xiq s THR 100 CO 0.00 -1.02 1.69 0.40 -0.54 0.00 0.00 174.62 175.15 1xiq h ILE 101 N -0.07 0.73 -0.24 2.99 2.04 -1.15 0.69 117.51 122.49 1xiq h ILE 101 Ca -0.45 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 1xiq h ILE 101 Cb 1.19 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1xiq h ILE 101 CO 0.61 0.00 -0.21 0.03 0.00 0.00 0.00 178.15 178.58 1xiq h ARG 102 N -0.19 0.44 0.00 2.37 3.08 -1.51 -0.96 114.38 117.61 1xiq h ARG 102 Ca 0.04 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1xiq h ARG 102 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1xiq h ARG 102 CO -0.11 0.63 -0.16 0.41 -1.07 0.00 0.00 179.97 179.67 1xiq n GLY 103 N -0.50 -1.62 0.10 0.04 0.00 -1.08 -1.58 105.19 100.55 1xiq n GLY 103 Ca -0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.16 0.46 0.00 1.61 8.00 0.21 -4.64 116.55 120.02 1xiq n ASP 104 Ca 0.05 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1xiq n ASP 104 Cb 0.43 0.52 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 1xiq n ASP 104 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xiq n PHE 105 N -2.90 0.00 -4.36 1.24 3.72 -0.38 -5.09 117.46 109.70 1xiq n PHE 105 Ca -0.29 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.88 1xiq n PHE 105 Cb 1.11 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.57 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 -0.64 2.19 -4.38 0.00 4.77 -1.26 -4.71 117.00 112.96 1xiq n LEU 107 Ca -0.07 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 1xiq n LEU 107 Cb 0.59 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.54 1xiq n LEU 107 CO 0.39 0.36 -0.54 -0.70 -1.33 0.00 0.00 177.39 175.57 1xiq s GLU 108 N -1.79 1.97 0.47 3.23 -6.30 -1.26 -4.40 118.70 110.60 1xiq s GLU 108 Ca 0.00 -1.02 0.19 0.00 -2.50 0.00 0.00 54.97 51.63 1xiq s GLU 108 Cb 0.00 -2.07 1.13 0.00 0.00 0.00 0.00 34.13 33.19 1xiq s GLU 108 CO 0.00 0.53 2.01 -0.24 0.02 0.00 0.00 175.26 177.58 1xiq h VAL 109 N 4.19 0.96 0.00 3.70 3.04 -1.97 -1.83 116.25 124.34 1xiq h VAL 109 Ca -0.46 -0.64 -0.09 0.00 -1.01 0.00 0.00 66.70 64.50 1xiq h VAL 109 Cb 1.14 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 1xiq h VAL 109 CO 0.46 0.17 -0.41 0.77 -1.01 0.00 0.00 177.57 177.55 1xiq h SER 110 N 0.00 0.00 -2.85 3.17 4.64 -1.95 -3.35 113.55 113.20 1xiq h SER 110 Ca -0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1xiq h SER 110 Cb 0.35 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.03 1xiq h SER 110 CO 0.02 0.41 -0.70 0.29 -0.87 0.00 0.00 176.83 175.99 1xiq n LYS 111 N -3.82 1.34 -0.55 4.77 4.76 -0.69 -4.92 118.16 119.06 1xiq n LYS 111 Ca -0.01 -4.09 0.05 0.00 -2.87 0.00 0.00 58.31 51.38 1xiq n LYS 111 Cb 0.47 -2.10 0.25 0.00 -1.84 0.00 0.00 35.03 31.81 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 2.21 3.58 0.00 4.39 6.94 -1.22 -4.31 115.26 126.85 1xiq n ASN 112 Ca 0.23 -3.20 0.00 0.00 -0.02 0.00 0.00 54.58 51.59 1xiq n ASN 112 Cb 0.39 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 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 -0.66 0.00 -4.01 3.53 0.24 -1.26 -4.78 118.33 111.39 1xiq n VAL 113 Ca 0.25 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.46 1xiq n VAL 113 Cb 0.95 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.21 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 0.17 -0.03 1.34 2.07 -1.26 0.15 121.20 123.64 1xiq s ILE 114 Ca 0.00 -1.07 0.05 0.00 -1.41 0.00 0.00 60.65 58.22 1xiq s ILE 114 Cb 0.00 -0.50 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 1xiq s ILE 114 CO 0.00 -0.57 -0.18 -2.28 -1.91 0.00 0.00 174.94 170.00 1xiq s HIS 115 N -1.85 2.58 0.04 3.50 5.65 0.65 -4.86 115.29 120.99 1xiq s HIS 115 Ca -0.12 -0.25 0.04 0.00 0.25 0.00 0.00 55.06 54.99 1xiq s HIS 115 Cb -0.07 -1.57 -0.02 0.00 -1.18 0.00 0.00 32.58 29.74 1xiq s HIS 115 CO -0.02 0.14 -0.13 0.20 -0.65 0.00 0.00 174.74 174.27 1xiq s GLY 116 N -0.82 0.75 0.34 1.59 0.00 -1.26 -1.65 107.32 106.26 1xiq s GLY 116 Ca 0.12 -0.81 -0.29 0.00 0.00 0.00 0.00 44.72 43.73 1xiq s GLY 116 CO 0.01 -0.80 1.47 -0.56 0.00 0.00 0.00 173.10 173.22 1xiq s SER 117 N -1.21 6.46 0.05 1.64 0.01 -1.09 -4.95 113.70 114.61 1xiq s SER 117 Ca 0.00 2.92 0.01 0.00 1.31 0.00 0.00 55.95 60.20 1xiq s SER 117 Cb -0.08 -2.65 -0.25 0.00 0.21 0.00 0.00 66.02 63.24 1xiq s SER 117 CO 0.01 -0.80 1.01 -2.24 0.41 0.00 0.00 173.24 171.63 1xiq h ASP 118 N 3.69 0.24 -5.29 2.44 2.03 -1.92 -3.44 116.42 114.17 1xiq h ASP 118 Ca -0.49 -0.31 -0.13 0.00 -0.73 0.00 0.00 57.03 55.38 1xiq h ASP 118 Cb 1.23 -0.08 -0.14 0.00 -0.83 0.00 0.00 39.33 39.51 1xiq h ASP 118 CO 0.69 1.25 -0.47 -0.94 -1.03 0.00 0.00 179.24 178.74 1xiq s SER 119 N -6.84 0.18 0.30 4.15 1.04 -1.26 -4.93 113.70 106.35 1xiq s SER 119 Ca -0.05 -0.95 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1xiq s SER 119 Cb 0.08 0.35 0.44 0.00 0.10 0.00 0.00 66.02 66.99 1xiq s SER 119 CO 0.85 -0.78 1.97 0.58 0.98 0.00 0.00 173.24 176.83 1xiq h VAL 120 N 2.74 1.20 -0.61 5.02 2.07 -1.93 0.48 116.25 125.24 1xiq h VAL 120 Ca -0.33 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 1xiq h VAL 120 Cb 1.20 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1xiq h VAL 120 CO 0.55 0.20 0.03 0.00 0.02 0.00 0.00 177.57 178.37 1xiq h ALA 121 N 1.48 0.81 -0.15 1.67 0.00 -1.98 -2.44 119.26 118.66 1xiq h ALA 121 Ca 0.31 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1xiq h ALA 121 Cb -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1xiq h ALA 121 CO -0.07 0.63 -0.44 1.03 0.00 0.00 0.00 179.25 180.40 1xiq h SER 122 N 0.95 0.38 0.15 0.00 0.87 -1.84 -3.08 113.55 110.99 1xiq h SER 122 Ca 0.17 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1xiq h SER 122 Cb 0.53 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1xiq h SER 122 CO 0.03 0.77 -0.07 0.00 -0.53 0.00 0.00 176.83 177.03 1xiq h ALA 123 N 1.25 -0.20 -0.68 6.23 0.00 -0.72 -1.45 119.26 123.69 1xiq h ALA 123 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1xiq h ALA 123 Cb 0.89 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1xiq h ALA 123 CO 0.07 -0.48 0.45 -0.91 0.00 0.00 0.00 179.25 178.38 1xiq h ASN 124 N -0.48 0.65 -0.04 0.00 2.35 -1.50 0.97 115.58 117.54 1xiq h ASN 124 Ca -0.02 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1xiq h ASN 124 Cb 0.37 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1xiq h ASN 124 CO 0.03 0.44 0.00 0.50 -1.65 0.00 0.00 177.43 176.75 1xiq h LYS 125 N 0.75 0.06 -0.50 0.81 1.63 -1.52 -2.98 116.57 114.82 1xiq h LYS 125 Ca 0.28 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1xiq h LYS 125 Cb 0.17 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1xiq h LYS 125 CO -0.09 0.32 0.31 0.93 -3.45 0.00 0.00 179.45 177.48 1xiq h GLU 126 N -0.21 0.62 -0.63 1.90 5.08 -0.40 -2.45 114.58 118.49 1xiq h GLU 126 Ca 0.01 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1xiq h GLU 126 Cb 0.29 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1xiq h GLU 126 CO 0.00 0.41 0.42 0.82 -1.00 0.00 0.00 179.01 179.66 1xiq h ILE 127 N 0.63 1.16 -0.55 3.13 2.04 -0.91 -2.22 117.51 120.78 1xiq h ILE 127 Ca 0.19 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1xiq h ILE 127 Cb -0.02 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1xiq h ILE 127 CO -0.07 0.16 0.16 0.78 0.00 0.00 0.00 178.15 179.18 1xiq h ASN 128 N 0.85 0.77 0.18 1.72 4.21 -1.33 0.93 115.58 122.92 1xiq h ASN 128 Ca 0.23 -0.13 -0.21 0.00 1.21 0.00 0.00 56.30 57.40 1xiq h ASN 128 Cb -0.09 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 36.91 1xiq h ASN 128 CO -0.05 0.74 -0.84 -0.29 -1.29 0.00 0.00 177.43 175.70 1xiq h ILE 129 N 0.81 1.36 0.01 2.81 6.09 -1.23 -3.35 117.51 124.01 1xiq h ILE 129 Ca 0.18 -2.22 -0.30 0.00 -1.37 0.00 0.00 64.86 61.15 1xiq h ILE 129 Cb 0.26 2.21 -0.05 0.00 0.47 0.00 0.00 36.82 39.71 1xiq h ILE 129 CO -0.01 0.67 -1.77 0.79 -3.07 0.00 0.00 178.15 174.77 1xiq n TRP 130 N -3.83 0.99 -4.36 2.19 7.02 -0.86 -4.96 117.44 113.64 1xiq n TRP 130 Ca -0.06 0.34 -0.26 0.00 -1.02 0.00 0.00 57.50 56.49 1xiq n TRP 130 Cb 0.77 -1.18 -0.12 0.00 -2.42 0.00 0.00 31.31 28.36 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 -2.59 2.10 0.43 -5.99 0.40 0.30 -5.10 117.98 107.54 1xiq s PHE 131 Ca -0.07 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 1xiq s PHE 131 Cb 0.08 -1.10 -0.06 0.00 0.51 0.00 0.00 43.02 42.44 1xiq s PHE 131 CO 0.82 0.34 0.80 0.15 0.70 0.00 0.00 175.22 178.03 1xiq s LYS 132 N -2.25 3.75 0.32 0.44 1.02 -1.26 -4.50 119.74 117.26 1xiq s LYS 132 Ca 0.14 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.61 1xiq s LYS 132 Cb -0.09 -2.35 0.53 0.00 -0.52 0.00 0.00 37.83 35.40 1xiq s LYS 132 CO 0.06 -0.10 1.96 0.00 -0.92 0.00 0.00 175.35 176.35 1xiq h ALA 133 N 1.01 1.44 0.00 5.17 0.00 -1.95 -1.75 119.26 123.18 1xiq h ALA 133 Ca -0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1xiq h ALA 133 Cb 1.19 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1xiq h ALA 133 CO 0.63 0.48 -0.03 1.49 0.00 0.00 0.00 179.25 181.82 1xiq h GLU 134 N 0.93 0.00 -0.48 0.00 4.22 -2.04 -2.65 114.58 114.56 1xiq h GLU 134 Ca 0.24 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.62 1xiq h GLU 134 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1xiq h GLU 134 CO -0.05 0.03 0.05 0.93 -2.18 0.00 0.00 179.01 177.79 1xiq h GLU 135 N 0.00 0.81 -6.16 1.92 5.08 -1.70 -3.42 114.58 111.11 1xiq h GLU 135 Ca -0.00 -0.23 -0.57 0.00 -1.00 0.00 0.00 59.36 57.56 1xiq h GLU 135 Cb 0.06 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1xiq h GLU 135 CO 0.00 0.83 1.34 -0.51 -1.00 0.00 0.00 179.01 179.68 1xiq s LEU 136 N -9.47 3.77 -0.09 1.33 1.02 -1.00 -4.74 118.68 109.50 1xiq s LEU 136 Ca -0.13 1.97 -0.13 0.00 0.02 0.00 0.00 54.13 55.86 1xiq s LEU 136 Cb 0.11 -3.52 -0.05 0.00 0.02 0.00 0.00 46.19 42.75 1xiq s LEU 136 CO 0.81 -1.59 0.32 0.42 0.02 0.00 0.00 176.35 176.33 1xiq s THR 137 N 6.67 5.23 -0.25 5.49 -4.23 -0.12 -5.02 115.64 123.41 1xiq s THR 137 Ca 0.90 0.63 -0.17 0.00 -1.18 0.00 0.00 61.69 61.88 1xiq s THR 137 Cb -0.33 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 1xiq s THR 137 CO 0.35 0.50 0.46 -1.58 -0.54 0.00 0.00 174.62 173.81 1xiq s GLN 138 N -0.37 4.08 -0.01 3.99 2.00 -1.26 -4.79 119.66 123.30 1xiq s GLN 138 Ca 0.20 0.24 -0.09 0.00 -2.00 0.00 0.00 55.36 53.71 1xiq s GLN 138 Cb -0.14 -3.63 0.01 0.00 0.80 0.00 0.00 33.01 30.04 1xiq s GLN 138 CO 0.08 -0.27 0.18 1.67 -0.50 0.00 0.00 175.29 176.44 1xiq s TRP 139 N 2.05 -0.04 -0.30 1.67 1.48 -1.26 -5.13 118.94 117.43 1xiq s TRP 139 Ca 0.19 0.04 -0.25 0.00 -1.06 0.00 0.00 56.10 55.02 1xiq s TRP 139 Cb -0.16 -0.00 0.00 0.00 -1.16 0.00 0.00 33.47 32.15 1xiq s TRP 139 CO 0.09 -0.28 0.88 0.15 -4.06 0.00 0.00 176.95 173.73 1xiq s LYS 140 N -1.15 4.04 -0.38 3.25 -0.14 -1.26 -5.01 119.74 119.09 1xiq s LYS 140 Ca -0.12 0.80 -0.29 0.00 -1.36 0.00 0.00 55.97 55.00 1xiq s LYS 140 Cb -0.06 -3.71 0.01 0.00 -1.68 0.00 0.00 37.83 32.39 1xiq s LYS 140 CO 0.02 -0.71 1.29 -1.58 -0.76 0.00 0.00 175.35 173.62 1xiq s HIS 141 N 3.12 2.64 0.34 3.18 5.65 -1.26 -4.90 115.29 124.05 1xiq s HIS 141 Ca 0.36 0.79 0.01 0.00 0.25 0.00 0.00 55.06 56.48 1xiq s HIS 141 Cb -0.14 -4.15 0.59 0.00 -1.18 0.00 0.00 32.58 27.70 1xiq s HIS 141 CO 0.12 -1.66 1.98 1.25 -0.65 0.00 0.00 174.74 175.78 1xiq h HIS 142 N 9.72 0.83 -0.00 3.88 2.76 -2.06 -2.68 115.15 127.60 1xiq h HIS 142 Ca -0.26 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1xiq h HIS 142 Cb 1.09 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.77 1xiq h HIS 142 CO 0.93 0.55 -0.07 -1.33 -1.30 0.00 0.00 177.93 176.71 1xiq n MET 143 N -4.42 0.21 -0.18 5.26 2.81 -1.26 -3.92 117.12 115.62 1xiq n MET 143 Ca 0.06 -0.03 0.20 0.00 -1.81 0.00 0.00 57.70 56.12 1xiq n MET 143 Cb 0.06 -1.50 0.57 0.00 -0.71 0.00 0.00 33.22 31.64 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 0.07 0.28 -0.87 0.03 1.63 -1.87 0.35 116.57 116.20 1xiq h LYS 144 Ca 0.00 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.91 1xiq h LYS 144 Cb 0.42 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.92 1xiq h LYS 144 CO 0.00 0.19 0.56 0.93 -3.45 0.00 0.00 179.45 177.68 1xiq h GLU 145 N 0.29 0.69 -0.49 1.90 5.08 -1.80 0.16 114.58 120.41 1xiq h GLU 145 Ca 0.41 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xiq h GLU 145 Cb 1.15 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1xiq h GLU 145 CO -0.11 0.45 0.00 0.91 -1.00 0.00 0.00 179.01 179.26 1xiq n TRP 146 N -4.55 0.65 -0.02 4.33 7.02 0.10 -4.14 117.44 120.82 1xiq n TRP 146 Ca 0.16 -0.36 -0.03 0.00 -1.02 0.00 0.00 57.50 56.26 1xiq n TRP 146 Cb 0.43 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.29 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 1.41 0.30 -4.02 -0.99 5.41 -1.01 -5.08 119.36 115.37 1xiq n ILE 147 Ca 0.20 -0.15 -0.26 0.00 1.00 0.00 0.00 62.75 63.54 1xiq n ILE 147 Cb 0.58 -0.80 -0.04 0.00 -0.71 0.00 0.00 39.64 38.67 1xiq n ILE 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55