#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ux1 s ASN 2 N 0.00 5.13 0.44 6.12 2.20 -1.26 -4.95 114.94 122.62 1ux1 s ASN 2 Ca 0.00 0.84 0.22 0.00 -0.94 0.00 0.00 52.86 52.98 1ux1 s ASN 2 Cb 0.00 -1.58 1.00 0.00 -2.00 0.00 0.00 41.25 38.67 1ux1 s ASN 2 CO 0.00 -1.47 1.89 0.08 -2.94 0.00 0.00 177.10 174.65 1ux1 h ARG 3 N -0.65 0.00 -0.12 3.55 0.11 -2.04 -2.63 114.38 112.60 1ux1 h ARG 3 Ca -0.45 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.53 1ux1 h ARG 3 Cb 1.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.35 1ux1 h ARG 3 CO 0.63 0.26 -0.36 0.37 0.10 0.00 0.00 179.97 180.97 1ux1 h GLN 4 N 0.00 0.24 -0.11 0.08 -0.00 -1.99 -1.00 115.11 112.31 1ux1 h GLN 4 Ca -0.00 -0.10 -0.21 0.00 -0.00 0.00 0.00 58.65 58.34 1ux1 h GLN 4 Cb 0.63 -0.01 0.01 0.00 0.00 0.00 0.00 27.48 28.11 1ux1 h GLN 4 CO 0.03 0.57 -0.76 0.93 0.00 0.00 0.00 178.83 179.61 1ux1 h GLU 5 N 0.20 0.71 -0.80 1.69 5.08 -1.86 -2.84 114.58 116.77 1ux1 h GLU 5 Ca 0.02 -0.62 -0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1ux1 h GLU 5 Cb 0.74 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1ux1 h GLU 5 CO 0.06 1.22 0.49 1.25 -1.00 0.00 0.00 179.01 181.03 1ux1 h LEU 6 N 0.41 0.95 -0.85 1.33 5.85 -1.25 -1.85 115.31 119.90 1ux1 h LEU 6 Ca -0.06 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1ux1 h LEU 6 Cb 1.40 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1ux1 h LEU 6 CO 0.15 0.72 0.54 0.40 -0.34 0.00 0.00 178.44 179.92 1ux1 h ILE 7 N 1.09 1.08 -0.16 4.05 2.04 -1.15 -0.33 117.51 124.13 1ux1 h ILE 7 Ca 0.29 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 1ux1 h ILE 7 Cb -0.06 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1ux1 h ILE 7 CO -0.06 0.18 -0.20 0.74 0.00 0.00 0.00 178.15 178.82 1ux1 h THR 8 N 1.01 1.22 -0.25 -0.27 2.02 -1.12 -0.83 112.91 114.68 1ux1 h THR 8 Ca 0.36 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 1ux1 h THR 8 Cb 0.10 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1ux1 h THR 8 CO -0.15 0.31 0.02 -0.33 0.37 0.00 0.00 175.52 175.74 1ux1 h GLU 9 N 0.25 0.43 -0.73 6.66 4.39 -0.40 -1.32 114.58 123.87 1ux1 h GLU 9 Ca 0.04 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1ux1 h GLU 9 Cb 0.49 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1ux1 h GLU 9 CO 0.03 0.58 0.43 0.00 -1.16 0.00 0.00 179.01 178.89 1ux1 h ALA 10 N 0.83 1.37 -0.47 3.43 0.00 -0.62 0.29 119.26 124.09 1ux1 h ALA 10 Ca 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1ux1 h ALA 10 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ux1 h ALA 10 CO 0.01 0.53 -0.12 -0.07 0.00 0.00 0.00 179.25 179.60 1ux1 h LEU 11 N 1.01 0.87 -0.10 0.00 3.38 -0.94 -0.04 115.31 119.49 1ux1 h LEU 11 Ca 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1ux1 h LEU 11 Cb -0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1ux1 h LEU 11 CO -0.05 1.01 -0.06 0.11 0.09 0.00 0.00 178.44 179.54 1ux1 h LYS 12 N 0.79 0.22 -0.96 1.13 1.57 -0.48 -3.00 116.57 115.84 1ux1 h LYS 12 Ca 0.13 -0.10 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 1ux1 h LYS 12 Cb 0.64 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 1ux1 h LYS 12 CO 0.04 0.59 0.61 0.00 -0.57 0.00 0.00 179.45 180.12 1ux1 h ALA 13 N 0.63 1.69 -0.43 3.86 0.00 -0.24 -0.56 119.26 124.20 1ux1 h ALA 13 Ca 0.02 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ux1 h ALA 13 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ux1 h ALA 13 CO 0.02 0.04 0.30 -0.09 0.00 0.00 0.00 179.25 179.52 1ux1 h ARG 14 N 0.82 0.14 0.00 0.00 2.43 -0.85 -1.43 114.38 115.49 1ux1 h ARG 14 Ca 0.49 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1ux1 h ARG 14 Cb 0.68 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1ux1 h ARG 14 CO -0.26 0.09 0.00 -0.44 -1.51 0.00 0.00 179.97 177.85 1ux1 h ASP 15 N 0.15 0.00 0.61 -3.80 3.32 -1.12 -2.38 116.42 113.19 1ux1 h ASP 15 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1ux1 h ASP 15 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1ux1 h ASP 15 CO -0.03 0.00 -0.27 0.23 -1.72 0.00 0.00 179.24 177.45 1ux1 n MET 16 N -2.36 0.16 -1.55 3.56 2.81 -0.54 -4.94 117.12 114.26 1ux1 n MET 16 Ca 0.02 -0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.41 1ux1 n MET 16 Cb 0.27 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1ux1 n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ux1 n ALA 17 N -1.36 -0.58 -3.85 3.04 0.00 -0.90 -4.94 120.51 111.92 1ux1 n ALA 17 Ca 0.08 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.52 1ux1 n ALA 17 Cb 0.33 -1.95 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 1ux1 n ALA 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ux1 s TYR 18 N -1.20 3.59 -0.49 0.00 5.04 -0.22 -4.94 117.35 119.13 1ux1 s TYR 18 Ca 0.61 -3.25 0.07 0.00 -2.44 0.00 0.00 57.07 52.07 1ux1 s TYR 18 Cb -0.66 -2.84 0.37 0.00 0.35 0.00 0.00 41.96 39.18 1ux1 s TYR 18 CO 0.58 -0.61 0.95 0.00 -1.34 0.00 0.00 175.55 175.13 1ux1 n ALA 19 N 2.21 4.20 0.33 3.97 0.00 -1.26 -0.04 120.51 129.93 1ux1 n ALA 19 Ca 0.18 -4.27 0.12 0.00 0.00 0.00 0.00 53.44 49.46 1ux1 n ALA 19 Cb 0.35 -0.74 0.52 0.00 0.00 0.00 0.00 19.45 19.59 1ux1 n ALA 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ux1 n PRO 20 N -0.19 0.19 -0.07 0.00 -0.04 -1.26 -0.52 135.00 133.11 1ux1 n PRO 20 Ca 0.30 0.48 -0.21 0.00 -0.04 0.00 0.00 63.50 64.04 1ux1 n PRO 20 Cb 0.53 -1.91 -0.13 0.00 -0.04 0.00 0.00 33.50 31.96 1ux1 n PRO 20 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ux1 n TYR 21 N -2.27 0.66 -0.01 0.54 4.02 -1.26 -4.52 117.16 114.32 1ux1 n TYR 21 Ca 0.01 0.15 -0.02 0.00 -0.01 0.00 0.00 57.90 58.04 1ux1 n TYR 21 Cb 0.18 -1.08 -0.12 0.00 -0.02 0.00 0.00 39.34 38.30 1ux1 n TYR 21 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1ux1 n SER 22 N -3.50 0.55 -0.68 7.72 3.41 -1.22 -4.95 113.62 114.95 1ux1 n SER 22 Ca -0.39 0.24 -0.09 0.00 -0.26 0.00 0.00 58.87 58.38 1ux1 n SER 22 Cb 0.99 0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 65.48 1ux1 n SER 22 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ux1 n LYS 23 N -2.79 -1.04 -3.74 4.33 4.01 0.32 -4.96 118.16 114.29 1ux1 n LYS 23 Ca -0.15 0.75 -0.38 0.00 -0.51 0.00 0.00 58.31 58.02 1ux1 n LYS 23 Cb 0.90 -4.77 -0.12 0.00 -0.51 0.00 0.00 35.03 30.52 1ux1 n LYS 23 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1ux1 s PHE 24 N -2.12 3.30 -0.06 2.13 5.36 -1.26 -5.07 117.98 120.26 1ux1 s PHE 24 Ca 0.00 -1.57 -0.14 0.00 -0.96 0.00 0.00 56.93 54.26 1ux1 s PHE 24 Cb 0.00 -2.47 -0.05 0.00 -0.34 0.00 0.00 43.02 40.16 1ux1 s PHE 24 CO 0.00 -0.78 0.37 -0.65 -1.46 0.00 0.00 175.22 172.70 1ux1 s GLN 25 N 1.37 4.02 0.01 10.12 -0.21 -1.26 -4.84 119.66 128.87 1ux1 s GLN 25 Ca -0.00 0.31 0.04 0.00 0.02 0.00 0.00 55.36 55.73 1ux1 s GLN 25 Cb -0.20 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.50 1ux1 s GLN 25 CO 0.02 0.52 -0.13 0.08 -2.12 0.00 0.00 175.29 173.65 1ux1 s VAL 26 N -0.48 1.03 0.10 1.09 1.01 -1.26 -4.28 120.40 117.61 1ux1 s VAL 26 Ca 0.22 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1ux1 s VAL 26 Cb -0.15 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1ux1 s VAL 26 CO 0.10 0.14 -0.11 -0.83 0.00 0.00 0.00 175.10 174.40 1ux1 s GLY 27 N -0.70 0.91 -0.01 4.51 0.00 -0.45 -2.88 107.32 108.70 1ux1 s GLY 27 Ca 0.03 -1.21 -0.14 0.00 0.00 0.00 0.00 44.72 43.41 1ux1 s GLY 27 CO 0.00 -1.27 0.28 0.00 0.00 0.00 0.00 173.10 172.11 1ux1 s ALA 28 N -2.30 -0.71 -0.06 3.20 0.00 0.47 -1.01 121.76 121.36 1ux1 s ALA 28 Ca 0.06 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1ux1 s ALA 28 Cb -0.04 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1ux1 s ALA 28 CO 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 175.76 175.51 1ux1 s ALA 29 N -1.33 0.68 -0.16 0.00 0.00 -0.36 -0.10 121.76 120.50 1ux1 s ALA 29 Ca -0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 1ux1 s ALA 29 Cb -0.06 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1ux1 s ALA 29 CO 0.04 -0.34 0.01 -1.17 0.00 0.00 0.00 175.76 174.30 1ux1 s LEU 30 N 1.69 3.54 -0.23 0.00 2.96 0.90 -0.94 118.68 126.61 1ux1 s LEU 30 Ca 0.01 0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1ux1 s LEU 30 Cb -0.13 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1ux1 s LEU 30 CO -0.04 0.20 0.01 -0.22 -1.32 0.00 0.00 176.35 174.98 1ux1 s LEU 31 N 0.20 3.19 0.83 -0.68 2.96 0.64 -0.49 118.68 125.33 1ux1 s LEU 31 Ca 0.01 -0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 1ux1 s LEU 31 Cb -0.13 -1.83 0.09 0.00 0.50 0.00 0.00 46.19 44.82 1ux1 s LEU 31 CO 0.02 -0.00 1.16 0.42 -1.32 0.00 0.00 176.35 176.63 1ux1 s THR 32 N 1.40 2.07 0.40 3.68 -4.23 0.30 -1.38 115.64 117.88 1ux1 s THR 32 Ca 0.05 0.02 0.09 0.00 -1.18 0.00 0.00 61.69 60.67 1ux1 s THR 32 Cb -0.15 -2.95 0.18 0.00 1.34 0.00 0.00 72.50 70.93 1ux1 s THR 32 CO 0.01 -0.03 1.95 0.11 -0.54 0.00 0.00 174.62 176.12 1ux1 h LYS 33 N -1.16 0.30 -0.11 3.99 1.79 -1.72 -1.90 116.57 117.75 1ux1 h LYS 33 Ca -0.47 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1ux1 h LYS 33 Cb 1.33 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1ux1 h LYS 33 CO 0.65 0.36 0.00 -0.25 -1.08 0.00 0.00 179.45 179.13 1ux1 n ASP 34 N -4.33 0.73 0.00 0.86 8.00 -1.26 -4.90 116.55 115.65 1ux1 n ASP 34 Ca -0.00 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.69 1ux1 n ASP 34 Cb 0.22 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1ux1 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ux1 n GLY 35 N 0.81 0.76 3.81 0.44 0.00 -0.71 -5.05 105.19 105.26 1ux1 n GLY 35 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1ux1 n GLY 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ux1 s LYS 36 N -0.32 4.32 -0.06 1.61 2.20 -1.26 -4.79 119.74 121.43 1ux1 s LYS 36 Ca 0.00 1.08 0.04 0.00 -0.36 0.00 0.00 55.97 56.73 1ux1 s LYS 36 Cb 0.00 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 1ux1 s LYS 36 CO 0.00 0.17 -0.18 0.08 -0.36 0.00 0.00 175.35 175.06 1ux1 s VAL 37 N -1.86 2.71 -0.12 4.02 1.01 -1.26 -0.54 120.40 124.37 1ux1 s VAL 37 Ca 0.54 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1ux1 s VAL 37 Cb -0.14 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1ux1 s VAL 37 CO 0.19 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.33 1ux1 s TYR 38 N -0.38 2.54 0.13 5.22 1.51 0.36 -4.94 117.35 121.79 1ux1 s TYR 38 Ca 0.03 -1.17 -0.05 0.00 -1.01 0.00 0.00 57.07 54.87 1ux1 s TYR 38 Cb -0.12 -1.72 -0.06 0.00 -0.11 0.00 0.00 41.96 39.95 1ux1 s TYR 38 CO 0.02 -0.51 0.37 1.03 -1.11 0.00 0.00 175.55 175.35 1ux1 s ARG 39 N 0.62 3.63 0.04 -0.62 0.52 -1.26 -0.07 118.95 121.80 1ux1 s ARG 39 Ca -0.12 -0.07 -0.08 0.00 -0.52 0.00 0.00 55.73 54.94 1ux1 s ARG 39 Cb -0.17 -2.87 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 1ux1 s ARG 39 CO 0.03 0.48 0.16 0.20 0.02 0.00 0.00 175.30 176.19 1ux1 s GLY 40 N -2.35 0.08 0.26 -3.53 0.00 0.86 -4.30 107.32 98.33 1ux1 s GLY 40 Ca 0.40 -0.35 -0.09 0.00 0.00 0.00 0.00 44.72 44.68 1ux1 s GLY 40 CO 0.24 -0.51 0.41 0.00 0.00 0.00 0.00 173.10 173.24 1ux1 s ASN 42 N -3.08 6.96 -0.23 0.00 4.22 -1.14 -3.06 114.94 118.61 1ux1 s ASN 42 Ca 0.27 1.17 -0.01 0.00 -2.14 0.00 0.00 52.86 52.15 1ux1 s ASN 42 Cb 0.01 -2.32 0.06 0.00 1.28 0.00 0.00 41.25 40.28 1ux1 s ASN 42 CO 0.11 0.24 -0.01 -0.63 -2.04 0.00 0.00 177.10 174.77 1ux1 s ILE 43 N -1.20 1.16 0.73 0.54 1.01 -0.13 -1.06 121.20 122.24 1ux1 s ILE 43 Ca 0.31 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 1ux1 s ILE 43 Cb -0.18 -1.54 0.09 0.00 0.01 0.00 0.00 42.46 40.85 1ux1 s ILE 43 CO 0.18 -0.18 1.02 -1.61 0.00 0.00 0.00 174.94 174.36 1ux1 s GLU 44 N 1.56 1.88 -0.02 2.79 2.02 0.95 -1.56 118.70 126.31 1ux1 s GLU 44 Ca -0.03 -0.56 -0.10 0.00 0.02 0.00 0.00 54.97 54.30 1ux1 s GLU 44 Cb -0.18 -2.20 0.01 0.00 0.10 0.00 0.00 34.13 31.86 1ux1 s GLU 44 CO -0.08 -1.40 0.22 1.21 0.02 0.00 0.00 175.26 175.23 1ux1 s ASN 45 N -4.62 -0.11 0.55 -0.19 3.84 -1.26 -4.86 114.94 108.30 1ux1 s ASN 45 Ca 0.63 0.04 0.26 0.00 0.21 0.00 0.00 52.86 54.00 1ux1 s ASN 45 Cb -0.08 0.30 1.45 0.00 -0.55 0.00 0.00 41.25 42.37 1ux1 s ASN 45 CO 0.45 -0.33 2.01 0.00 -2.79 0.00 0.00 177.10 176.44 1ux1 h ALA 46 N 4.46 2.29 -2.52 1.71 0.00 -2.02 -3.15 119.26 120.04 1ux1 h ALA 46 Ca -0.29 -0.01 -0.77 0.00 0.00 0.00 0.00 54.91 53.83 1ux1 h ALA 46 Cb 1.19 0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.75 1ux1 h ALA 46 CO 0.39 -0.55 -0.07 0.00 0.00 0.00 0.00 179.25 179.02 1ux1 s ALA 47 N -4.89 3.86 0.42 0.00 0.00 -1.26 -4.98 121.76 114.91 1ux1 s ALA 47 Ca -0.05 -2.96 0.33 0.00 0.00 0.00 0.00 51.96 49.28 1ux1 s ALA 47 Cb 0.18 -3.36 1.41 0.00 0.00 0.00 0.00 23.12 21.36 1ux1 s ALA 47 CO 0.67 -2.15 1.43 0.66 0.00 0.00 0.00 175.76 176.37 1ux1 n TYR 48 N 4.53 0.53 0.32 0.00 0.53 -1.19 -1.58 117.16 120.30 1ux1 n TYR 48 Ca 0.01 0.53 0.15 0.00 -1.02 0.00 0.00 57.90 57.57 1ux1 n TYR 48 Cb 0.43 -0.96 0.66 0.00 -1.03 0.00 0.00 39.34 38.44 1ux1 n TYR 48 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1ux1 h SER 49 N 0.00 0.00 0.82 7.72 4.64 -1.94 -2.99 113.55 121.80 1ux1 h SER 49 Ca 0.82 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.99 1ux1 h SER 49 Cb 2.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.84 1ux1 h SER 49 CO -0.35 0.00 -0.73 0.24 -0.87 0.00 0.00 176.83 175.12 1ux1 h MET 50 N 0.00 0.00 -5.59 4.77 2.86 -1.64 -3.47 114.93 111.87 1ux1 h MET 50 Ca 0.00 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.97 1ux1 h MET 50 Cb 0.32 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.06 1ux1 h MET 50 CO 0.00 0.73 -0.25 0.00 1.06 0.00 0.00 176.91 178.44 1ux1 s ASN 52 N -0.53 3.88 0.23 0.00 2.47 -0.60 -5.00 114.94 115.40 1ux1 s ASN 52 Ca 0.71 -0.24 -0.03 0.00 0.42 0.00 0.00 52.86 53.71 1ux1 s ASN 52 Cb -1.00 -0.78 -0.05 0.00 -1.45 0.00 0.00 41.25 37.97 1ux1 s ASN 52 CO 0.53 0.34 0.46 -1.00 -3.72 0.00 0.00 177.10 173.71 1ux1 s HIS 53 N -0.70 3.48 0.21 0.43 3.76 -1.26 -0.96 115.29 120.24 1ux1 s HIS 53 Ca 0.11 0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 55.41 1ux1 s HIS 53 Cb -0.11 -1.98 0.27 0.00 1.11 0.00 0.00 32.58 31.87 1ux1 s HIS 53 CO 0.00 0.30 1.68 0.00 -0.85 0.00 0.00 174.74 175.87 1ux1 h ALA 54 N 1.97 0.60 -0.73 -1.40 0.00 -1.81 0.50 119.26 118.38 1ux1 h ALA 54 Ca -0.48 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1ux1 h ALA 54 Cb 1.19 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1ux1 h ALA 54 CO 0.68 -0.37 0.48 0.93 0.00 0.00 0.00 179.25 180.97 1ux1 h GLU 55 N 0.16 0.97 -0.36 0.00 3.07 -1.88 -2.27 114.58 114.27 1ux1 h GLU 55 Ca 0.30 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.94 1ux1 h GLU 55 Cb 0.47 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1ux1 h GLU 55 CO -0.46 0.65 -0.41 1.96 -1.40 0.00 0.00 179.01 179.35 1ux1 h GLN 56 N 0.99 0.88 -0.35 2.33 4.20 -1.73 -2.76 115.11 118.68 1ux1 h GLN 56 Ca 0.27 -0.48 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1ux1 h GLN 56 Cb -0.11 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1ux1 h GLN 56 CO -0.06 1.12 0.19 1.15 -0.67 0.00 0.00 178.83 180.57 1ux1 h THR 57 N 0.72 1.02 -0.48 -0.54 2.02 -0.61 0.10 112.91 115.13 1ux1 h THR 57 Ca 0.05 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1ux1 h THR 57 Cb 0.99 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1ux1 h THR 57 CO 0.10 0.07 0.24 0.00 0.37 0.00 0.00 175.52 176.30 1ux1 h ALA 58 N 1.17 0.62 -0.42 6.16 0.00 -1.42 -0.41 119.26 124.96 1ux1 h ALA 58 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ux1 h ALA 58 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ux1 h ALA 58 CO -0.08 0.17 0.10 -0.07 0.00 0.00 0.00 179.25 179.37 1ux1 h LEU 59 N 0.64 0.65 -0.68 0.00 3.38 -1.17 -1.99 115.31 116.13 1ux1 h LEU 59 Ca 0.17 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1ux1 h LEU 59 Cb 0.09 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1ux1 h LEU 59 CO -0.02 0.72 0.08 -0.26 0.09 0.00 0.00 178.44 179.04 1ux1 h PHE 60 N 0.55 1.17 0.04 1.13 0.05 -0.66 -0.53 116.94 118.69 1ux1 h PHE 60 Ca 0.13 -0.17 -0.00 0.00 3.82 0.00 0.00 57.97 61.75 1ux1 h PHE 60 Cb 0.33 -0.32 -0.00 0.00 2.00 0.00 0.00 35.95 37.96 1ux1 h PHE 60 CO 0.02 0.99 -0.02 -0.22 -0.18 0.00 0.00 178.31 178.90 1ux1 h LYS 61 N 1.02 -0.06 0.45 1.51 3.64 -0.98 -0.78 116.57 121.38 1ux1 h LYS 61 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1ux1 h LYS 61 Cb 0.47 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1ux1 h LYS 61 CO 0.02 -0.04 -0.32 0.00 -2.27 0.00 0.00 179.45 176.83 1ux1 h ALA 62 N 0.90 -0.77 -0.87 5.00 0.00 -1.11 -2.72 119.26 119.70 1ux1 h ALA 62 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ux1 h ALA 62 Cb 0.05 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1ux1 h ALA 62 CO 0.00 -0.95 0.57 0.28 0.00 0.00 0.00 179.25 179.15 1ux1 h VAL 63 N -0.76 1.10 0.00 0.00 2.07 -0.94 -0.33 116.25 117.40 1ux1 h VAL 63 Ca -0.05 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1ux1 h VAL 63 Cb 0.64 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1ux1 h VAL 63 CO 0.02 0.19 0.00 -1.54 0.02 0.00 0.00 177.57 176.26 1ux1 n SER 64 N -4.46 0.07 -0.64 0.57 3.41 -0.30 -2.05 113.62 110.20 1ux1 n SER 64 Ca 0.12 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.35 1ux1 n SER 64 Cb 0.15 -0.53 0.04 0.00 -0.26 0.00 0.00 64.21 63.61 1ux1 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ux1 n GLU 65 N -1.58 1.67 -0.04 4.33 -0.58 -0.20 -4.97 120.64 119.27 1ux1 n GLU 65 Ca 0.04 -1.33 0.00 0.00 -0.42 0.00 0.00 57.16 55.45 1ux1 n GLU 65 Cb 0.21 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1ux1 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ux1 n GLY 66 N 1.28 0.47 3.58 0.62 0.00 -0.87 -5.05 105.19 105.22 1ux1 n GLY 66 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1ux1 n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ux1 s ASP 67 N -2.87 6.28 0.00 1.61 -0.00 -0.78 -4.89 116.67 116.02 1ux1 s ASP 67 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 52.55 52.69 1ux1 s ASP 67 Cb 0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 42.92 40.68 1ux1 s ASP 67 CO 0.00 -0.31 0.41 0.35 -0.00 0.00 0.00 175.17 175.61 1ux1 n THR 68 N 5.24 0.06 -3.90 -1.27 -2.24 -1.26 -2.83 114.28 108.07 1ux1 n THR 68 Ca -0.07 -0.40 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 1ux1 n THR 68 Cb 0.50 1.22 -0.13 0.00 -2.10 0.00 0.00 70.33 69.81 1ux1 n THR 68 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ux1 s GLU 69 N -0.06 3.55 0.26 -0.78 0.41 -1.26 -4.93 118.70 115.89 1ux1 s GLU 69 Ca 0.00 -0.54 0.06 0.00 -0.41 0.00 0.00 54.97 54.08 1ux1 s GLU 69 Cb 0.00 -3.14 -0.05 0.00 -1.78 0.00 0.00 34.13 29.15 1ux1 s GLU 69 CO 0.00 -0.13 -0.05 -0.06 -0.49 0.00 0.00 175.26 174.53 1ux1 s PHE 70 N 1.39 1.82 0.00 1.61 0.40 -1.26 -2.20 117.98 119.74 1ux1 s PHE 70 Ca 0.05 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1ux1 s PHE 70 Cb -0.15 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.36 1ux1 s PHE 70 CO 0.01 0.20 0.00 0.00 0.70 0.00 0.00 175.22 176.13 1ux1 n GLN 71 N -0.52 1.77 -3.71 0.44 10.64 -0.48 -4.69 117.38 120.83 1ux1 n GLN 71 Ca -0.06 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.98 1ux1 n GLN 71 Cb 0.63 -0.74 -0.09 0.00 -0.86 0.00 0.00 30.24 29.18 1ux1 n GLN 71 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1ux1 s MET 72 N -1.48 0.62 -0.06 2.61 0.00 -1.19 -1.46 119.30 118.34 1ux1 s MET 72 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 55.69 56.05 1ux1 s MET 72 Cb 0.00 0.29 0.02 0.00 0.00 0.00 0.00 34.83 35.14 1ux1 s MET 72 CO 0.00 -0.12 -0.06 -1.17 0.00 0.00 0.00 175.02 173.67 1ux1 s LEU 73 N -0.35 1.30 0.01 4.11 2.96 -0.22 -0.26 118.68 126.23 1ux1 s LEU 73 Ca -0.05 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1ux1 s LEU 73 Cb -0.03 -0.55 -0.03 0.00 0.50 0.00 0.00 46.19 46.07 1ux1 s LEU 73 CO 0.03 -0.06 -0.10 0.00 -1.32 0.00 0.00 176.35 174.90 1ux1 s ALA 74 N 1.05 2.91 -0.01 5.97 0.00 -0.11 0.10 121.76 131.67 1ux1 s ALA 74 Ca -0.09 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1ux1 s ALA 74 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1ux1 s ALA 74 CO -0.00 0.60 -0.04 0.08 0.00 0.00 0.00 175.76 176.40 1ux1 s VAL 75 N -0.98 0.33 -0.06 0.00 1.01 -0.18 -1.22 120.40 119.30 1ux1 s VAL 75 Ca 0.17 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1ux1 s VAL 75 Cb -0.11 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1ux1 s VAL 75 CO 0.07 0.11 0.17 0.00 0.00 0.00 0.00 175.10 175.44 1ux1 s ALA 76 N 0.05 -0.41 0.20 5.51 0.00 -0.18 -1.68 121.76 125.24 1ux1 s ALA 76 Ca -0.00 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 1ux1 s ALA 76 Cb -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1ux1 s ALA 76 CO -0.00 -0.10 0.41 0.00 0.00 0.00 0.00 175.76 176.07 1ux1 s ALA 77 N -0.11 -0.34 -1.28 0.00 0.00 -1.22 -1.34 121.76 117.47 1ux1 s ALA 77 Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1ux1 s ALA 77 Cb -0.02 0.92 0.15 0.00 0.00 0.00 0.00 23.12 24.17 1ux1 s ALA 77 CO 0.00 -0.75 1.81 -3.47 0.00 0.00 0.00 175.76 173.35 1ux1 n ASP 78 N -0.30 5.00 -4.56 0.00 2.03 -1.26 -3.11 116.55 114.36 1ux1 n ASP 78 Ca -0.06 -3.05 -0.25 0.00 0.52 0.00 0.00 54.79 51.95 1ux1 n ASP 78 Cb 0.63 -1.52 -0.10 0.00 -0.72 0.00 0.00 41.12 39.40 1ux1 n ASP 78 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ux1 s THR 79 N 1.04 2.51 0.14 5.18 -4.23 -1.26 -4.98 115.64 114.04 1ux1 s THR 79 Ca 0.41 -2.17 -0.29 0.00 -1.18 0.00 0.00 61.69 58.47 1ux1 s THR 79 Cb 0.07 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1ux1 s THR 79 CO -0.00 -0.27 1.58 -0.65 -0.54 0.00 0.00 174.62 174.74 1ux1 h PRO 80 N 2.01 -0.43 0.00 3.99 0.11 -2.00 -3.43 132.00 132.25 1ux1 h PRO 80 Ca -0.42 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ux1 h PRO 80 Cb 1.25 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1ux1 h PRO 80 CO 0.66 -0.29 0.00 0.41 -0.21 0.00 0.00 178.00 178.57 1ux1 n GLY 81 N -1.43 4.40 3.61 -0.55 0.00 -1.26 -5.01 105.19 104.96 1ux1 n GLY 81 Ca -0.03 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 1ux1 n GLY 81 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ux1 n PRO 82 N -0.14 1.47 -2.19 1.61 -0.02 -1.26 -4.56 135.00 129.91 1ux1 n PRO 82 Ca 0.00 0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 1ux1 n PRO 82 Cb 0.00 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 1ux1 n PRO 82 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ux1 s VAL 83 N -1.17 2.93 -0.26 -1.45 0.11 -0.81 -4.82 120.40 114.93 1ux1 s VAL 83 Ca 0.60 0.80 -0.09 0.00 -2.93 0.00 0.00 61.98 60.36 1ux1 s VAL 83 Cb -0.61 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 1ux1 s VAL 83 CO 0.59 0.09 0.12 -0.55 -3.33 0.00 0.00 175.10 172.02 1ux1 s SER 84 N -0.97 5.52 0.36 3.54 0.15 -1.26 -4.58 113.70 116.46 1ux1 s SER 84 Ca 0.57 -0.12 -0.28 0.00 0.70 0.00 0.00 55.95 56.82 1ux1 s SER 84 Cb -0.34 -2.01 -0.11 0.00 -1.71 0.00 0.00 66.02 61.85 1ux1 s SER 84 CO 0.43 -0.04 1.46 -2.84 1.20 0.00 0.00 173.24 173.44 1ux1 s PRO 85 N 1.67 4.16 0.90 5.44 0.02 -1.26 -4.98 135.00 140.96 1ux1 s PRO 85 Ca 0.07 2.49 -0.12 0.00 0.02 0.00 0.00 61.00 63.46 1ux1 s PRO 85 Cb -0.15 -3.00 0.13 0.00 0.02 0.00 0.00 34.50 31.50 1ux1 s PRO 85 CO 0.07 -0.47 1.11 0.00 -0.33 0.00 0.00 177.00 177.38 1ux1 h GLY 87 N -1.48 1.44 1.02 0.00 0.00 -1.99 -1.81 103.07 100.25 1ux1 h GLY 87 Ca -0.50 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.30 1ux1 h GLY 87 CO 0.59 0.47 0.42 0.00 0.00 0.00 0.00 176.54 178.03 1ux1 h ALA 88 N 1.40 1.03 -0.34 3.60 0.00 -2.00 -1.51 119.26 121.44 1ux1 h ALA 88 Ca 0.38 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 1ux1 h ALA 88 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1ux1 h ALA 88 CO -0.10 0.56 -0.26 0.00 0.00 0.00 0.00 179.25 179.44 1ux1 h ARG 90 N 0.60 0.48 -0.24 0.00 3.08 -0.90 0.61 114.38 118.01 1ux1 h ARG 90 Ca 0.08 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1ux1 h ARG 90 Cb 0.76 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1ux1 h ARG 90 CO 0.06 0.57 -0.06 0.37 -1.07 0.00 0.00 179.97 179.84 1ux1 h GLN 91 N 0.46 0.47 -0.39 0.04 5.75 -0.88 0.01 115.11 120.57 1ux1 h GLN 91 Ca 0.09 -0.18 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 1ux1 h GLN 91 Cb 0.41 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1ux1 h GLN 91 CO 0.02 0.70 -0.07 0.28 -2.65 0.00 0.00 178.83 177.11 1ux1 h VAL 92 N 0.21 1.24 -0.60 2.39 2.07 -1.05 -2.41 116.25 118.09 1ux1 h VAL 92 Ca 0.06 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 1ux1 h VAL 92 Cb 0.52 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1ux1 h VAL 92 CO 0.02 0.35 -0.00 0.40 0.02 0.00 0.00 177.57 178.36 1ux1 h ILE 93 N 0.61 1.27 0.00 4.57 2.04 -0.62 -1.54 117.51 123.84 1ux1 h ILE 93 Ca 0.12 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1ux1 h ILE 93 Cb 0.48 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1ux1 h ILE 93 CO 0.03 0.42 -0.10 0.77 0.00 0.00 0.00 178.15 179.27 1ux1 h SER 94 N 0.97 0.00 0.16 1.72 4.64 -0.68 -0.53 113.55 119.83 1ux1 h SER 94 Ca 0.17 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.14 1ux1 h SER 94 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1ux1 h SER 94 CO 0.03 0.10 -1.82 -0.08 -0.87 0.00 0.00 176.83 174.19 1ux1 h GLU 95 N 0.00 0.35 0.00 4.77 4.57 -1.15 -3.39 114.58 119.72 1ux1 h GLU 95 Ca -0.00 -0.59 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 1ux1 h GLU 95 Cb 0.62 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1ux1 h GLU 95 CO 0.01 1.28 -1.14 1.28 -1.18 0.00 0.00 179.01 179.27 1ux1 n LEU 96 N -3.58 0.58 -4.66 1.64 4.77 -0.60 -4.93 117.00 110.21 1ux1 n LEU 96 Ca -0.27 -0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.41 1ux1 n LEU 96 Cb 1.06 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.99 1ux1 n LEU 96 CO 0.48 0.02 -0.35 0.00 -1.33 0.00 0.00 177.39 176.21 1ux1 s THR 98 N -1.30 4.11 -1.12 0.00 -4.23 -1.26 -4.72 115.64 107.12 1ux1 s THR 98 Ca 0.25 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 1ux1 s THR 98 Cb -0.11 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1ux1 s THR 98 CO 0.17 -0.68 0.82 0.29 -0.54 0.00 0.00 174.62 174.68 1ux1 n LYS 99 N -2.22 0.00 -0.01 3.99 5.02 -1.26 -1.96 118.16 121.72 1ux1 n LYS 99 Ca 0.08 0.34 0.09 0.00 -2.02 0.00 0.00 58.31 56.79 1ux1 n LYS 99 Cb 0.53 -1.54 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 1ux1 n LYS 99 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ux1 n ASP 100 N -1.32 0.76 -4.58 4.39 5.75 -1.26 -4.15 116.55 116.13 1ux1 n ASP 100 Ca 0.00 -0.38 -0.46 0.00 -0.01 0.00 0.00 54.79 53.93 1ux1 n ASP 100 Cb 0.04 1.51 -0.03 0.00 -1.03 0.00 0.00 41.12 41.61 1ux1 n ASP 100 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1ux1 n VAL 101 N -1.86 1.44 -3.33 2.12 0.31 -0.83 -4.85 118.33 111.33 1ux1 n VAL 101 Ca -0.01 -0.36 -0.38 0.00 -0.01 0.00 0.00 64.34 63.58 1ux1 n VAL 101 Cb 0.41 -0.93 -0.07 0.00 -0.91 0.00 0.00 33.84 32.33 1ux1 n VAL 101 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ux1 s ILE 102 N -0.61 5.17 -0.32 2.52 1.01 -0.54 -3.51 121.20 124.92 1ux1 s ILE 102 Ca 0.66 0.82 -0.10 0.00 0.00 0.00 0.00 60.65 62.03 1ux1 s ILE 102 Cb -0.77 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 37.92 1ux1 s ILE 102 CO 0.56 0.24 0.17 -0.69 0.00 0.00 0.00 174.94 175.22 1ux1 s VAL 103 N 1.29 4.72 -0.35 2.92 1.01 0.66 -1.06 120.40 129.59 1ux1 s VAL 103 Ca 0.22 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1ux1 s VAL 103 Cb -0.15 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 1ux1 s VAL 103 CO 0.09 0.02 0.23 -0.69 0.00 0.00 0.00 175.10 174.75 1ux1 s VAL 104 N 1.63 5.06 -0.11 2.92 1.01 0.12 -1.67 120.40 129.35 1ux1 s VAL 104 Ca 0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1ux1 s VAL 104 Cb -0.17 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1ux1 s VAL 104 CO 0.07 -0.09 0.06 -0.76 0.00 0.00 0.00 175.10 174.38 1ux1 s LEU 105 N 1.67 3.94 0.00 3.92 1.43 0.11 -1.01 118.68 128.74 1ux1 s LEU 105 Ca 0.05 0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1ux1 s LEU 105 Cb -0.18 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1ux1 s LEU 105 CO 0.09 0.38 0.46 1.07 0.23 0.00 0.00 176.35 178.58 1ux1 n THR 106 N 2.15 0.00 -2.89 5.49 5.66 -0.68 -0.82 114.28 123.20 1ux1 n THR 106 Ca -0.19 -0.74 0.00 0.00 -3.05 0.00 0.00 64.05 60.07 1ux1 n THR 106 Cb 0.54 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 1ux1 n THR 106 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ux1 n ASN 107 N -1.44 0.06 -1.33 1.09 0.23 -1.20 -1.92 115.26 110.75 1ux1 n ASN 107 Ca -0.04 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.03 1ux1 n ASN 107 Cb 0.38 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.30 1ux1 n ASN 107 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ux1 n LEU 108 N 0.00 3.81 -2.62 -4.53 4.77 -1.18 -4.24 117.00 113.01 1ux1 n LEU 108 Ca 0.00 -1.94 -0.00 0.00 -0.03 0.00 0.00 56.01 54.04 1ux1 n LEU 108 Cb 0.00 -0.61 0.06 0.00 -2.33 0.00 0.00 43.42 40.54 1ux1 n LEU 108 CO 0.00 0.49 0.15 0.00 -1.33 0.00 0.00 177.39 176.69 1ux1 n GLN 109 N 0.31 1.44 -0.58 3.23 6.02 -1.26 -5.02 117.38 121.51 1ux1 n GLN 109 Ca 0.17 -2.80 0.00 0.00 -0.01 0.00 0.00 57.00 54.36 1ux1 n GLN 109 Cb 0.82 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 31.12 1ux1 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ux1 n GLY 110 N -0.68 0.54 3.67 1.08 0.00 -1.26 -4.98 105.19 103.57 1ux1 n GLY 110 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1ux1 n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ux1 s GLN 111 N -0.49 4.29 -0.05 1.61 -0.21 -1.26 -4.96 119.66 118.57 1ux1 s GLN 111 Ca 0.00 1.72 0.04 0.00 0.02 0.00 0.00 55.36 57.14 1ux1 s GLN 111 Cb 0.00 -3.67 -0.00 0.00 1.00 0.00 0.00 33.01 30.34 1ux1 s GLN 111 CO 0.00 -0.59 -0.18 0.42 -2.12 0.00 0.00 175.29 172.82 1ux1 s ILE 112 N 2.87 1.50 -0.04 1.08 1.01 -1.26 -3.28 121.20 123.08 1ux1 s ILE 112 Ca 0.57 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1ux1 s ILE 112 Cb -0.24 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1ux1 s ILE 112 CO 0.19 0.43 -0.11 -0.75 0.00 0.00 0.00 174.94 174.70 1ux1 s LYS 113 N 0.15 1.29 0.07 2.79 2.20 0.00 -5.00 119.74 121.24 1ux1 s LYS 113 Ca -0.07 -0.39 0.09 0.00 -0.36 0.00 0.00 55.97 55.23 1ux1 s LYS 113 Cb -0.13 -1.15 -0.03 0.00 -1.51 0.00 0.00 37.83 35.01 1ux1 s LYS 113 CO 0.03 0.13 -0.23 -2.00 -0.36 0.00 0.00 175.35 172.91 1ux1 s GLU 114 N 0.26 1.46 0.03 4.03 2.12 -1.26 0.05 118.70 125.39 1ux1 s GLU 114 Ca -0.06 -1.09 -0.28 0.00 0.36 0.00 0.00 54.97 53.91 1ux1 s GLU 114 Cb -0.11 -1.68 0.09 0.00 0.26 0.00 0.00 34.13 32.70 1ux1 s GLU 114 CO 0.01 0.42 0.86 0.00 -0.54 0.00 0.00 175.26 176.01 1ux1 s MET 115 N -1.46 0.93 0.47 4.30 0.23 -0.67 -5.00 119.30 118.09 1ux1 s MET 115 Ca 0.10 -0.37 0.01 0.00 -1.03 0.00 0.00 55.69 54.40 1ux1 s MET 115 Cb -0.10 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.62 1ux1 s MET 115 CO 0.03 -0.41 0.68 0.95 -2.03 0.00 0.00 175.02 174.24 1ux1 s THR 116 N -3.22 3.70 0.10 3.16 -4.23 -1.26 -0.24 115.64 113.64 1ux1 s THR 116 Ca 0.05 -0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 59.70 1ux1 s THR 116 Cb -0.01 -3.37 -0.12 0.00 1.34 0.00 0.00 72.50 70.34 1ux1 s THR 116 CO -0.08 -0.25 1.49 0.58 -0.54 0.00 0.00 174.62 175.82 1ux1 h VAL 117 N 0.35 0.00 -0.97 2.29 2.07 -1.72 -1.24 116.25 117.04 1ux1 h VAL 117 Ca -0.45 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.32 1ux1 h VAL 117 Cb 1.26 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.90 1ux1 h VAL 117 CO 0.56 0.00 0.52 -0.08 0.02 0.00 0.00 177.57 178.59 1ux1 h GLU 118 N -0.61 0.45 -0.02 1.57 4.57 -1.84 0.77 114.58 119.46 1ux1 h GLU 118 Ca 0.01 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1ux1 h GLU 118 Cb 0.65 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1ux1 h GLU 118 CO -0.30 0.30 -0.46 0.93 -1.18 0.00 0.00 179.01 178.30 1ux1 h GLU 119 N 0.46 0.05 -0.35 1.92 5.08 -1.78 -2.55 114.58 117.40 1ux1 h GLU 119 Ca 0.64 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.82 1ux1 h GLU 119 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1ux1 h GLU 119 CO -0.52 0.50 -0.39 1.25 -1.00 0.00 0.00 179.01 178.84 1ux1 h LEU 120 N 0.04 0.92 -6.39 1.33 5.85 0.17 -3.40 115.31 113.83 1ux1 h LEU 120 Ca -0.00 -0.42 -0.52 0.00 0.84 0.00 0.00 57.88 57.79 1ux1 h LEU 120 Cb 0.83 -0.26 -0.36 0.00 0.37 0.00 0.00 40.66 41.24 1ux1 h LEU 120 CO 0.06 1.19 -0.84 -0.22 -0.34 0.00 0.00 178.44 178.30 1ux1 s LEU 121 N -8.80 0.75 -0.11 2.25 2.96 -0.35 -5.04 118.68 110.34 1ux1 s LEU 121 Ca -0.10 -2.30 -0.35 0.00 -0.22 0.00 0.00 54.13 51.16 1ux1 s LEU 121 Cb 0.11 -0.08 -0.12 0.00 0.50 0.00 0.00 46.19 46.60 1ux1 s LEU 121 CO 0.87 -0.24 1.85 -2.65 -1.32 0.00 0.00 176.35 174.86 1ux1 n PRO 122 N 3.67 2.03 -3.71 0.98 -0.02 -0.98 -2.64 135.00 134.33 1ux1 n PRO 122 Ca 0.18 0.74 -0.24 0.00 -2.02 0.00 0.00 63.50 62.16 1ux1 n PRO 122 Cb 0.43 -2.56 0.05 0.00 -0.02 0.00 0.00 33.50 31.40 1ux1 n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ux1 n GLY 123 N 4.33 -0.43 3.55 -1.23 0.00 -1.26 -4.90 105.19 105.26 1ux1 n GLY 123 Ca 0.23 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 1ux1 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ux1 n ALA 124 N -4.56 -0.41 -1.77 4.61 0.00 -1.08 -4.92 120.51 112.37 1ux1 n ALA 124 Ca -0.11 0.11 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 1ux1 n ALA 124 Cb 0.60 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 1ux1 n ALA 124 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ux1 s PHE 125 N -1.46 3.10 0.30 0.00 5.36 -1.26 -5.01 117.98 119.01 1ux1 s PHE 125 Ca 0.67 1.46 -0.04 0.00 -0.96 0.00 0.00 56.93 58.06 1ux1 s PHE 125 Cb -0.51 -3.62 -0.01 0.00 -0.34 0.00 0.00 43.02 38.54 1ux1 s PHE 125 CO 0.54 -1.69 0.41 -1.54 -1.46 0.00 0.00 175.22 171.49 1ux1 s SER 126 N -0.57 0.66 0.61 6.13 1.04 -1.26 -4.97 113.70 115.34 1ux1 s SER 126 Ca 0.49 -1.38 0.32 0.00 0.48 0.00 0.00 55.95 55.86 1ux1 s SER 126 Cb -0.38 0.60 1.87 0.00 0.10 0.00 0.00 66.02 68.21 1ux1 s SER 126 CO 0.51 -1.18 2.21 0.77 0.98 0.00 0.00 173.24 176.53 1ux1 h SER 127 N 2.21 0.00 -0.22 7.02 4.64 -1.99 -0.73 113.55 124.48 1ux1 h SER 127 Ca -0.29 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 1ux1 h SER 127 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1ux1 h SER 127 CO 0.40 0.00 0.08 -0.33 -0.87 0.00 0.00 176.83 176.11 1ux1 h GLU 128 N 0.00 0.41 0.00 4.77 3.07 -1.96 -2.09 114.58 118.78 1ux1 h GLU 128 Ca 0.03 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1ux1 h GLU 128 Cb 0.18 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1ux1 h GLU 128 CO -0.00 0.38 0.00 -0.25 -1.40 0.00 0.00 179.01 177.74 1ux1 n ASP 129 N -4.38 0.00 -1.05 1.42 8.00 -0.28 -1.92 116.55 118.33 1ux1 n ASP 129 Ca 0.01 0.28 0.11 0.00 0.71 0.00 0.00 54.79 55.90 1ux1 n ASP 129 Cb 0.16 -0.40 0.25 0.00 -0.02 0.00 0.00 41.12 41.10 1ux1 n ASP 129 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ux1 n LEU 130 N -1.40 3.14 0.00 0.64 4.77 -0.79 -5.07 117.00 118.30 1ux1 n LEU 130 Ca 0.07 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1ux1 n LEU 130 Cb 0.19 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1ux1 n LEU 130 CO 0.17 0.68 0.00 1.57 -1.33 0.00 0.00 177.39 178.48