#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 0.75 0.21 6.12 2.20 -1.26 -4.83 114.94 118.13 1ux1 s ASN 2 Ca 0.00 0.49 -0.05 0.00 -0.94 0.00 0.00 52.86 52.36 1ux1 s ASN 2 Cb 0.00 -0.62 0.17 0.00 -2.00 0.00 0.00 41.25 38.79 1ux1 s ASN 2 CO 0.00 -4.21 1.63 0.08 -2.94 0.00 0.00 177.10 171.66 1ux1 h ARG 3 N -2.64 0.83 -0.28 3.55 0.11 -2.05 -2.80 114.38 111.10 1ux1 h ARG 3 Ca -0.43 -0.32 0.04 0.00 0.10 0.00 0.00 59.98 59.37 1ux1 h ARG 3 Cb 1.28 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 1ux1 h ARG 3 CO 0.29 0.95 0.19 0.37 0.10 0.00 0.00 179.97 181.87 1ux1 h GLN 4 N 0.73 0.19 0.00 0.08 -0.00 -1.99 0.21 115.11 114.33 1ux1 h GLN 4 Ca 0.11 -0.01 -0.18 0.00 -0.00 0.00 0.00 58.65 58.57 1ux1 h GLN 4 Cb 0.70 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.12 1ux1 h GLN 4 CO 0.05 0.12 -0.82 0.93 0.00 0.00 0.00 178.83 179.11 1ux1 h GLU 5 N 0.19 0.06 -0.14 1.69 5.08 -1.85 -2.09 114.58 117.51 1ux1 h GLU 5 Ca 0.12 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.19 1ux1 h GLU 5 Cb 0.24 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ux1 h GLU 5 CO -0.02 0.84 -0.81 1.25 -1.00 0.00 0.00 179.01 179.28 1ux1 h LEU 6 N 0.03 0.95 -1.01 1.33 5.85 -0.85 -2.51 115.31 119.10 1ux1 h LEU 6 Ca -0.02 -0.64 0.02 0.00 0.84 0.00 0.00 57.88 58.08 1ux1 h LEU 6 Cb 1.44 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1ux1 h LEU 6 CO 0.11 1.44 0.67 0.40 -0.34 0.00 0.00 178.44 180.72 1ux1 h ILE 7 N 0.53 1.24 -0.66 4.05 2.04 -0.62 -0.38 117.51 123.72 1ux1 h ILE 7 Ca -0.06 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1ux1 h ILE 7 Cb 1.44 -0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1ux1 h ILE 7 CO 0.17 0.25 0.39 0.74 0.00 0.00 0.00 178.15 179.69 1ux1 h THR 8 N 1.35 1.20 -0.55 -0.27 2.02 -1.24 -0.68 112.91 114.74 1ux1 h THR 8 Ca 0.38 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1ux1 h THR 8 Cb -0.12 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 1ux1 h THR 8 CO -0.09 0.21 0.35 -0.33 0.37 0.00 0.00 175.52 176.03 1ux1 h GLU 9 N 0.90 0.70 -0.54 6.66 4.39 -0.77 -0.79 114.58 125.12 1ux1 h GLU 9 Ca 0.24 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 1ux1 h GLU 9 Cb -0.01 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1ux1 h GLU 9 CO -0.04 0.46 0.16 0.00 -1.16 0.00 0.00 179.01 178.43 1ux1 h ALA 10 N 1.22 1.27 -0.58 3.43 0.00 -0.65 0.14 119.26 124.08 1ux1 h ALA 10 Ca 0.21 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1ux1 h ALA 10 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1ux1 h ALA 10 CO -0.06 0.52 0.00 -0.07 0.00 0.00 0.00 179.25 179.64 1ux1 h LEU 11 N 0.79 1.01 -0.33 0.00 3.38 -0.39 -0.82 115.31 118.95 1ux1 h LEU 11 Ca 0.18 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1ux1 h LEU 11 Cb 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ux1 h LEU 11 CO -0.01 1.07 -0.12 0.11 0.09 0.00 0.00 178.44 179.58 1ux1 h LYS 12 N 0.92 0.66 -0.83 1.13 1.57 -0.66 -2.90 116.57 116.46 1ux1 h LYS 12 Ca 0.16 -0.27 0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1ux1 h LYS 12 Cb 0.55 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 1ux1 h LYS 12 CO 0.03 0.85 0.54 0.00 -0.57 0.00 0.00 179.45 180.30 1ux1 h ALA 13 N 0.79 1.70 -0.61 3.86 0.00 -0.49 -1.47 119.26 123.03 1ux1 h ALA 13 Ca 0.08 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1ux1 h ALA 13 Cb 0.63 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1ux1 h ALA 13 CO 0.04 0.14 0.41 -0.09 0.00 0.00 0.00 179.25 179.74 1ux1 h ARG 14 N 0.80 0.42 0.00 0.00 2.43 -0.93 -1.31 114.38 115.79 1ux1 h ARG 14 Ca 0.38 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1ux1 h ARG 14 Cb 0.41 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ux1 h ARG 14 CO -0.15 0.28 0.00 -0.44 -1.51 0.00 0.00 179.97 178.15 1ux1 h ASP 15 N 0.44 0.00 0.38 -3.80 3.32 -1.31 -1.65 116.42 113.79 1ux1 h ASP 15 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1ux1 h ASP 15 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1ux1 h ASP 15 CO -0.08 0.00 -0.10 0.23 -1.72 0.00 0.00 179.24 177.57 1ux1 n MET 16 N -3.01 0.66 -1.67 3.56 2.81 -0.50 -4.92 117.12 114.06 1ux1 n MET 16 Ca -0.01 -0.21 -0.45 0.00 -1.81 0.00 0.00 57.70 55.23 1ux1 n MET 16 Cb 0.21 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 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 -0.99 0.96 -3.69 3.04 0.00 -0.62 -4.94 120.51 114.27 1ux1 n ALA 17 Ca 0.14 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.64 1ux1 n ALA 17 Cb 0.27 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.40 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 -0.27 3.76 -0.50 0.00 5.04 -0.39 -4.92 117.35 120.07 1ux1 s TYR 18 Ca 0.66 -3.02 0.07 0.00 -2.44 0.00 0.00 57.07 52.35 1ux1 s TYR 18 Cb -0.65 -3.16 0.36 0.00 0.35 0.00 0.00 41.96 38.86 1ux1 s TYR 18 CO 0.52 -0.73 0.92 0.00 -1.34 0.00 0.00 175.55 174.92 1ux1 n ALA 19 N 2.49 4.05 0.30 3.97 0.00 -1.26 -0.11 120.51 129.95 1ux1 n ALA 19 Ca 0.19 -4.26 0.17 0.00 0.00 0.00 0.00 53.44 49.54 1ux1 n ALA 19 Cb 0.37 -0.76 0.80 0.00 0.00 0.00 0.00 19.45 19.86 1ux1 n ALA 19 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ux1 h PRO 20 N 2.93 0.00 0.12 0.00 0.13 -1.95 0.15 132.00 133.37 1ux1 h PRO 20 Ca 0.13 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.90 1ux1 h PRO 20 Cb 0.71 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1ux1 h PRO 20 CO 0.73 0.00 -2.04 0.66 -0.23 0.00 0.00 178.00 177.13 1ux1 n TYR 21 N -2.83 1.16 0.01 1.56 4.02 -1.26 -4.44 117.16 115.38 1ux1 n TYR 21 Ca -0.01 0.25 0.08 0.00 -0.01 0.00 0.00 57.90 58.21 1ux1 n TYR 21 Cb 0.19 -1.15 -0.12 0.00 -0.02 0.00 0.00 39.34 38.23 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 -3.46 0.25 -0.59 7.72 3.41 -1.21 -4.95 113.62 114.78 1ux1 n SER 22 Ca -0.33 0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.30 1ux1 n SER 22 Cb 1.04 1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 66.38 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 -2.45 -1.37 -3.70 4.33 4.01 0.51 -4.94 118.16 114.55 1ux1 n LYS 23 Ca -0.06 0.72 -0.38 0.00 -0.51 0.00 0.00 58.31 58.07 1ux1 n LYS 23 Cb 0.64 -4.91 -0.11 0.00 -0.51 0.00 0.00 35.03 30.14 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 -1.87 3.36 -0.01 2.13 5.36 -1.26 -5.07 117.98 120.62 1ux1 s PHE 24 Ca 0.00 -1.70 -0.16 0.00 -0.96 0.00 0.00 56.93 54.11 1ux1 s PHE 24 Cb 0.00 -2.75 -0.06 0.00 -0.34 0.00 0.00 43.02 39.87 1ux1 s PHE 24 CO 0.00 -0.84 0.45 -0.65 -1.46 0.00 0.00 175.22 172.72 1ux1 s GLN 25 N 1.35 4.05 -0.02 10.12 -0.21 -1.26 -4.86 119.66 128.83 1ux1 s GLN 25 Ca 0.02 0.48 0.03 0.00 0.02 0.00 0.00 55.36 55.91 1ux1 s GLN 25 Cb -0.22 -3.26 -0.00 0.00 1.00 0.00 0.00 33.01 30.53 1ux1 s GLN 25 CO 0.01 0.59 -0.09 0.08 -2.12 0.00 0.00 175.29 173.76 1ux1 s VAL 26 N -0.80 0.76 0.12 1.09 1.01 -1.26 -4.29 120.40 117.03 1ux1 s VAL 26 Ca 0.25 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1ux1 s VAL 26 Cb -0.17 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1ux1 s VAL 26 CO 0.14 0.23 -0.19 -0.83 0.00 0.00 0.00 175.10 174.45 1ux1 s GLY 27 N 0.03 1.26 -0.01 4.51 0.00 -0.36 -2.82 107.32 109.94 1ux1 s GLY 27 Ca -0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 44.72 43.31 1ux1 s GLY 27 CO 0.00 -1.34 0.18 0.00 0.00 0.00 0.00 173.10 171.94 1ux1 s ALA 28 N -1.54 -0.44 -0.07 3.20 0.00 0.86 -0.99 121.76 122.78 1ux1 s ALA 28 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 1ux1 s ALA 28 Cb -0.08 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1ux1 s ALA 28 CO 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 175.76 175.59 1ux1 s ALA 29 N -1.24 0.70 -0.19 0.00 0.00 0.04 0.41 121.76 121.48 1ux1 s ALA 29 Ca -0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 1ux1 s ALA 29 Cb -0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1ux1 s ALA 29 CO 0.02 -0.38 0.02 -1.17 0.00 0.00 0.00 175.76 174.26 1ux1 s LEU 30 N 1.78 3.46 -0.25 0.00 2.96 0.66 -0.74 118.68 126.55 1ux1 s LEU 30 Ca 0.02 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.76 1ux1 s LEU 30 Cb -0.13 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1ux1 s LEU 30 CO -0.04 0.10 0.08 -0.22 -1.32 0.00 0.00 176.35 174.95 1ux1 s LEU 31 N 0.79 3.50 0.79 -0.68 2.96 0.13 -0.38 118.68 125.80 1ux1 s LEU 31 Ca 0.02 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 1ux1 s LEU 31 Cb -0.14 -1.94 0.07 0.00 0.50 0.00 0.00 46.19 44.68 1ux1 s LEU 31 CO 0.02 -0.03 1.13 0.42 -1.32 0.00 0.00 176.35 176.57 1ux1 s THR 32 N 1.58 2.65 0.45 3.68 -4.23 0.56 -1.53 115.64 118.80 1ux1 s THR 32 Ca 0.06 0.21 0.20 0.00 -1.18 0.00 0.00 61.69 60.99 1ux1 s THR 32 Cb -0.15 -3.12 0.24 0.00 1.34 0.00 0.00 72.50 70.81 1ux1 s THR 32 CO 0.04 -0.28 2.04 0.11 -0.54 0.00 0.00 174.62 176.00 1ux1 h LYS 33 N -1.02 0.00 -0.15 3.99 1.57 -1.58 -1.25 116.57 118.13 1ux1 h LYS 33 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1ux1 h LYS 33 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1ux1 h LYS 33 CO 0.63 0.14 0.00 -0.25 -0.57 0.00 0.00 179.45 179.41 1ux1 n ASP 34 N -4.04 0.96 0.00 0.86 8.00 -1.26 -4.90 116.55 116.17 1ux1 n ASP 34 Ca -0.02 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.67 1ux1 n ASP 34 Cb 0.23 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.88 0.64 3.82 0.44 0.00 -0.47 -5.05 105.19 105.44 1ux1 n GLY 35 Ca 0.10 0.00 -0.36 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 -0.23 4.25 -0.10 1.61 2.20 -1.26 -4.79 119.74 121.42 1ux1 s LYS 36 Ca 0.00 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.48 1ux1 s LYS 36 Cb 0.00 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.42 1ux1 s LYS 36 CO 0.00 0.39 -0.11 0.08 -0.36 0.00 0.00 175.35 175.35 1ux1 s VAL 37 N -1.53 3.28 -0.13 4.02 1.01 -1.26 -0.32 120.40 125.47 1ux1 s VAL 37 Ca 0.43 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1ux1 s VAL 37 Cb -0.17 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1ux1 s VAL 37 CO 0.21 0.56 -0.21 -0.31 0.00 0.00 0.00 175.10 175.35 1ux1 s TYR 38 N -0.20 2.66 0.13 5.22 1.51 0.49 -4.94 117.35 122.22 1ux1 s TYR 38 Ca 0.01 -1.15 -0.09 0.00 -1.01 0.00 0.00 57.07 54.83 1ux1 s TYR 38 Cb -0.13 -1.80 -0.06 0.00 -0.11 0.00 0.00 41.96 39.86 1ux1 s TYR 38 CO 0.03 -0.50 0.43 1.03 -1.11 0.00 0.00 175.55 175.43 1ux1 s ARG 39 N 0.63 3.74 0.03 -0.62 0.52 -1.26 -0.25 118.95 121.74 1ux1 s ARG 39 Ca -0.11 0.13 -0.05 0.00 -0.52 0.00 0.00 55.73 55.18 1ux1 s ARG 39 Cb -0.16 -2.88 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 1ux1 s ARG 39 CO 0.02 0.48 0.09 0.20 0.02 0.00 0.00 175.30 176.11 1ux1 s GLY 40 N -2.08 0.16 0.15 -3.53 0.00 0.16 -4.21 107.32 97.97 1ux1 s GLY 40 Ca 0.39 -0.47 -0.12 0.00 0.00 0.00 0.00 44.72 44.51 1ux1 s GLY 40 CO 0.21 -0.60 0.34 0.00 0.00 0.00 0.00 173.10 173.04 1ux1 s ASN 42 N -2.91 7.29 -0.21 0.00 4.22 -1.13 -3.43 114.94 118.78 1ux1 s ASN 42 Ca 0.11 1.64 -0.01 0.00 -2.14 0.00 0.00 52.86 52.47 1ux1 s ASN 42 Cb 0.02 -2.50 0.06 0.00 1.28 0.00 0.00 41.25 40.11 1ux1 s ASN 42 CO -0.04 0.09 -0.02 -0.63 -2.04 0.00 0.00 177.10 174.46 1ux1 s ILE 43 N -1.38 1.05 0.77 0.54 1.01 0.15 -1.26 121.20 122.08 1ux1 s ILE 43 Ca 0.42 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1ux1 s ILE 43 Cb -0.20 -1.40 0.12 0.00 0.01 0.00 0.00 42.46 40.98 1ux1 s ILE 43 CO 0.24 -0.11 1.08 -1.61 0.00 0.00 0.00 174.94 174.54 1ux1 s GLU 44 N 1.62 1.64 -0.04 2.79 2.02 0.84 -1.55 118.70 126.03 1ux1 s GLU 44 Ca -0.03 -0.60 -0.14 0.00 0.02 0.00 0.00 54.97 54.23 1ux1 s GLU 44 Cb -0.18 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 31.92 1ux1 s GLU 44 CO -0.07 -1.59 0.31 1.21 0.02 0.00 0.00 175.26 175.14 1ux1 s ASN 45 N -4.68 -0.21 0.41 -0.19 3.84 -1.26 -4.87 114.94 107.97 1ux1 s ASN 45 Ca 0.66 0.20 0.16 0.00 0.21 0.00 0.00 52.86 54.09 1ux1 s ASN 45 Cb -0.07 0.39 1.05 0.00 -0.55 0.00 0.00 41.25 42.06 1ux1 s ASN 45 CO 0.46 -0.37 1.87 0.00 -2.79 0.00 0.00 177.10 176.27 1ux1 h ALA 46 N 4.27 2.15 -2.33 1.71 0.00 -2.02 -3.10 119.26 119.93 1ux1 h ALA 46 Ca -0.29 0.02 -0.74 0.00 0.00 0.00 0.00 54.91 53.90 1ux1 h ALA 46 Cb 1.18 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 1ux1 h ALA 46 CO 0.38 -0.42 0.34 0.00 0.00 0.00 0.00 179.25 179.56 1ux1 s ALA 47 N -5.45 3.71 0.35 0.00 0.00 -1.26 -4.95 121.76 114.16 1ux1 s ALA 47 Ca -0.08 -2.92 0.27 0.00 0.00 0.00 0.00 51.96 49.23 1ux1 s ALA 47 Cb 0.22 -3.69 1.19 0.00 0.00 0.00 0.00 23.12 20.83 1ux1 s ALA 47 CO 0.78 -2.52 1.21 0.66 0.00 0.00 0.00 175.76 175.89 1ux1 n TYR 48 N 5.31 0.46 0.27 0.00 0.53 -1.17 -1.85 117.16 120.70 1ux1 n TYR 48 Ca 0.12 0.47 0.10 0.00 -1.02 0.00 0.00 57.90 57.57 1ux1 n TYR 48 Cb 0.47 -0.87 0.72 0.00 -1.03 0.00 0.00 39.34 38.62 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 1.31 7.72 4.64 -1.92 -2.87 113.55 122.43 1ux1 h SER 49 Ca 0.69 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.99 1ux1 h SER 49 Cb 2.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.40 1ux1 h SER 49 CO -0.31 0.02 -0.09 0.24 -0.87 0.00 0.00 176.83 175.82 1ux1 h MET 50 N 0.00 0.00 -6.03 4.77 2.86 -1.72 -3.47 114.93 111.34 1ux1 h MET 50 Ca -0.00 0.00 -0.76 0.00 -2.06 0.00 0.00 59.70 56.88 1ux1 h MET 50 Cb 0.04 0.00 0.06 0.00 0.06 0.00 0.00 31.60 31.77 1ux1 h MET 50 CO 0.00 0.09 -0.02 0.00 1.06 0.00 0.00 176.91 178.05 1ux1 s ASN 52 N -0.16 4.67 0.33 0.00 2.47 -0.60 -4.99 114.94 116.67 1ux1 s ASN 52 Ca 0.85 -0.02 0.01 0.00 0.42 0.00 0.00 52.86 54.13 1ux1 s ASN 52 Cb -1.18 -1.19 -0.03 0.00 -1.45 0.00 0.00 41.25 37.40 1ux1 s ASN 52 CO 0.56 0.36 0.51 -1.00 -3.72 0.00 0.00 177.10 173.81 1ux1 s HIS 53 N -0.79 3.49 0.16 0.43 3.76 -1.26 -0.67 115.29 120.40 1ux1 s HIS 53 Ca 0.12 0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 55.15 1ux1 s HIS 53 Cb -0.11 -1.83 0.10 0.00 1.11 0.00 0.00 32.58 31.85 1ux1 s HIS 53 CO 0.01 0.18 1.73 0.00 -0.85 0.00 0.00 174.74 175.81 1ux1 h ALA 54 N 0.83 0.43 -0.56 -1.40 0.00 -1.82 0.43 119.26 117.17 1ux1 h ALA 54 Ca -0.50 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1ux1 h ALA 54 Cb 1.22 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1ux1 h ALA 54 CO 0.61 -0.32 0.34 0.93 0.00 0.00 0.00 179.25 180.81 1ux1 h GLU 55 N 0.21 0.64 -0.20 0.00 3.07 -1.88 -0.48 114.58 115.94 1ux1 h GLU 55 Ca 0.19 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 1ux1 h GLU 55 Cb 0.22 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1ux1 h GLU 55 CO -0.24 0.42 -0.28 1.96 -1.40 0.00 0.00 179.01 179.47 1ux1 h GLN 56 N 0.66 0.39 -0.57 2.33 4.20 -1.86 -2.60 115.11 117.66 1ux1 h GLN 56 Ca 0.23 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1ux1 h GLN 56 Cb 0.04 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1ux1 h GLN 56 CO -0.11 0.64 0.04 1.15 -0.67 0.00 0.00 178.83 179.89 1ux1 h THR 57 N 0.34 1.26 -0.45 -0.54 2.02 0.15 0.23 112.91 115.93 1ux1 h THR 57 Ca 0.05 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.20 1ux1 h THR 57 Cb 0.68 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1ux1 h THR 57 CO 0.05 0.39 0.23 0.00 0.37 0.00 0.00 175.52 176.56 1ux1 h ALA 58 N 0.98 0.56 -0.54 6.16 0.00 -1.40 -0.67 119.26 124.35 1ux1 h ALA 58 Ca 0.17 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1ux1 h ALA 58 Cb 0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ux1 h ALA 58 CO 0.02 -0.12 -0.10 -0.07 0.00 0.00 0.00 179.25 178.98 1ux1 h LEU 59 N 0.46 1.03 -0.92 0.00 3.38 -1.16 -2.28 115.31 115.82 1ux1 h LEU 59 Ca 0.19 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1ux1 h LEU 59 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1ux1 h LEU 59 CO -0.13 1.14 -0.33 -0.26 0.09 0.00 0.00 178.44 178.95 1ux1 h PHE 60 N 0.91 0.44 -0.33 1.13 0.05 -0.26 -1.43 116.94 117.45 1ux1 h PHE 60 Ca 0.14 -0.11 -0.10 0.00 3.82 0.00 0.00 57.97 61.73 1ux1 h PHE 60 Cb 0.67 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.51 1ux1 h PHE 60 CO 0.05 0.68 -0.17 0.87 -0.18 0.00 0.00 178.31 179.55 1ux1 h LYS 61 N 0.33 0.70 0.76 1.51 1.57 -1.04 -1.28 116.57 119.12 1ux1 h LYS 61 Ca 0.04 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1ux1 h LYS 61 Cb 0.75 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.05 1ux1 h LYS 61 CO 0.06 0.91 -0.37 0.00 -0.57 0.00 0.00 179.45 179.48 1ux1 h ALA 62 N 0.77 -1.03 -0.80 3.86 0.00 -1.18 -2.80 119.26 118.08 1ux1 h ALA 62 Ca 0.07 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ux1 h ALA 62 Cb 0.71 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1ux1 h ALA 62 CO 0.05 -1.06 0.49 0.28 0.00 0.00 0.00 179.25 179.01 1ux1 h VAL 63 N -1.06 1.04 0.00 0.00 2.07 -1.04 -0.22 116.25 117.04 1ux1 h VAL 63 Ca -0.10 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1ux1 h VAL 63 Cb 0.79 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1ux1 h VAL 63 CO 0.17 0.16 0.00 -1.54 0.02 0.00 0.00 177.57 176.39 1ux1 n SER 64 N -4.66 0.00 -0.36 0.57 3.41 -0.48 -1.34 113.62 110.76 1ux1 n SER 64 Ca 0.11 0.34 0.09 0.00 -0.26 0.00 0.00 58.87 59.15 1ux1 n SER 64 Cb 0.16 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.41 1.33 0.00 4.33 -0.58 -0.16 -4.97 120.64 119.18 1ux1 n GLU 65 Ca 0.04 -0.75 0.00 0.00 -0.42 0.00 0.00 57.16 56.03 1ux1 n GLU 65 Cb 0.13 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 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 1.32 0.43 3.63 0.62 0.00 -0.45 -5.06 105.19 105.68 1ux1 n GLY 66 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.41 6.47 0.00 1.61 -0.00 -0.79 -4.89 116.67 116.65 1ux1 s ASP 67 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 52.55 53.11 1ux1 s ASP 67 Cb 0.00 -2.28 0.00 0.00 -0.00 0.00 0.00 42.92 40.64 1ux1 s ASP 67 CO 0.00 -0.25 0.22 0.35 -0.00 0.00 0.00 175.17 175.49 1ux1 n THR 68 N 4.98 0.00 -3.68 -1.27 -2.24 -1.26 -2.67 114.28 108.13 1ux1 n THR 68 Ca -0.04 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.05 1ux1 n THR 68 Cb 0.50 1.30 -0.12 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.16 3.29 0.26 -0.78 0.41 -1.26 -4.92 118.70 115.54 1ux1 s GLU 69 Ca 0.00 -0.75 0.08 0.00 -0.41 0.00 0.00 54.97 53.89 1ux1 s GLU 69 Cb 0.00 -3.51 -0.05 0.00 -1.78 0.00 0.00 34.13 28.79 1ux1 s GLU 69 CO 0.00 -0.42 -0.11 -0.06 -0.49 0.00 0.00 175.26 174.19 1ux1 s PHE 70 N 1.59 1.97 0.00 1.61 0.40 -1.26 -1.61 117.98 120.68 1ux1 s PHE 70 Ca 0.04 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1ux1 s PHE 70 Cb -0.17 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.33 1ux1 s PHE 70 CO 0.05 0.40 0.00 0.00 0.70 0.00 0.00 175.22 176.37 1ux1 n GLN 71 N -0.55 2.14 -3.74 0.44 10.64 -0.58 -4.69 117.38 121.03 1ux1 n GLN 71 Ca -0.06 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.97 1ux1 n GLN 71 Cb 0.62 -0.81 -0.09 0.00 -0.86 0.00 0.00 30.24 29.10 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 -1.62 0.60 -0.06 2.61 0.00 -1.19 -1.46 119.30 118.18 1ux1 s MET 72 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 55.69 55.77 1ux1 s MET 72 Cb 0.00 0.28 0.02 0.00 0.00 0.00 0.00 34.83 35.13 1ux1 s MET 72 CO 0.00 -0.14 -0.02 -1.17 0.00 0.00 0.00 175.02 173.68 1ux1 s LEU 73 N -0.78 0.99 -0.05 4.11 2.96 -0.10 -0.69 118.68 125.12 1ux1 s LEU 73 Ca -0.09 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1ux1 s LEU 73 Cb -0.04 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 1ux1 s LEU 73 CO 0.03 -0.12 -0.06 0.00 -1.32 0.00 0.00 176.35 174.89 1ux1 s ALA 74 N 1.42 3.04 -0.02 5.97 0.00 0.08 -0.00 121.76 132.25 1ux1 s ALA 74 Ca -0.03 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1ux1 s ALA 74 Cb -0.13 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1ux1 s ALA 74 CO -0.03 0.59 -0.03 0.08 0.00 0.00 0.00 175.76 176.37 1ux1 s VAL 75 N -0.88 0.36 -0.01 0.00 1.01 -0.35 -0.78 120.40 119.75 1ux1 s VAL 75 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1ux1 s VAL 75 Cb -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1ux1 s VAL 75 CO 0.04 0.14 0.05 0.00 0.00 0.00 0.00 175.10 175.32 1ux1 s ALA 76 N 0.41 -0.10 0.23 5.51 0.00 -0.16 -1.56 121.76 126.08 1ux1 s ALA 76 Ca -0.04 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 1ux1 s ALA 76 Cb -0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 1ux1 s ALA 76 CO -0.00 -0.06 0.44 0.00 0.00 0.00 0.00 175.76 176.14 1ux1 s ALA 77 N -0.30 -0.25 -1.25 0.00 0.00 -1.22 -1.22 121.76 117.52 1ux1 s ALA 77 Ca -0.04 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1ux1 s ALA 77 Cb -0.02 1.02 0.18 0.00 0.00 0.00 0.00 23.12 24.29 1ux1 s ALA 77 CO 0.00 -0.81 1.71 -3.47 0.00 0.00 0.00 175.76 173.19 1ux1 n ASP 78 N -0.35 5.20 -4.45 0.00 2.03 -1.26 -3.55 116.55 114.16 1ux1 n ASP 78 Ca -0.03 -3.08 -0.26 0.00 0.52 0.00 0.00 54.79 51.94 1ux1 n ASP 78 Cb 0.62 -1.50 -0.11 0.00 -0.72 0.00 0.00 41.12 39.42 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 0.58 2.46 0.22 5.18 -4.23 -1.26 -5.01 115.64 113.59 1ux1 s THR 79 Ca 0.40 -2.19 -0.11 0.00 -1.18 0.00 0.00 61.69 58.61 1ux1 s THR 79 Cb 0.05 -2.23 0.22 0.00 1.34 0.00 0.00 72.50 71.88 1ux1 s THR 79 CO 0.01 -0.25 1.64 -0.65 -0.54 0.00 0.00 174.62 174.83 1ux1 h PRO 80 N 2.75 0.06 0.00 3.99 0.11 -2.00 -3.43 132.00 133.48 1ux1 h PRO 80 Ca -0.43 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.48 1ux1 h PRO 80 Cb 1.23 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1ux1 h PRO 80 CO 0.54 0.04 -0.14 0.41 -0.21 0.00 0.00 178.00 178.64 1ux1 n GLY 81 N -1.40 3.91 3.63 -0.55 0.00 -1.26 -4.98 105.19 104.54 1ux1 n GLY 81 Ca 0.09 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.43 1.52 -2.14 1.61 -0.02 -1.26 -4.59 135.00 129.69 1ux1 n PRO 82 Ca -0.06 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.56 1ux1 n PRO 82 Cb 0.19 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.20 2.78 -0.32 -1.45 0.11 -0.84 -4.83 120.40 114.64 1ux1 s VAL 83 Ca 0.61 0.77 -0.12 0.00 -2.93 0.00 0.00 61.98 60.32 1ux1 s VAL 83 Cb -0.58 -3.49 -0.02 0.00 -1.53 0.00 0.00 36.38 30.76 1ux1 s VAL 83 CO 0.58 0.18 0.21 -0.55 -3.33 0.00 0.00 175.10 172.19 1ux1 s SER 84 N -0.55 5.89 0.36 3.54 0.15 -1.26 -4.62 113.70 117.20 1ux1 s SER 84 Ca 0.49 -0.42 -0.28 0.00 0.70 0.00 0.00 55.95 56.44 1ux1 s SER 84 Cb -0.39 -2.09 -0.11 0.00 -1.71 0.00 0.00 66.02 61.72 1ux1 s SER 84 CO 0.51 -0.20 1.48 -2.65 1.20 0.00 0.00 173.24 173.58 1ux1 n PRO 85 N 5.06 2.60 -1.29 5.44 -0.02 -1.26 -4.97 135.00 140.56 1ux1 n PRO 85 Ca -0.13 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 1ux1 n PRO 85 Cb 0.50 -2.64 0.16 0.00 -0.02 0.00 0.00 33.50 31.50 1ux1 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ux1 h GLY 87 N -1.72 1.17 0.82 0.00 0.00 -1.99 -1.74 103.07 99.61 1ux1 h GLY 87 Ca -0.53 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.42 1ux1 h GLY 87 CO 0.59 0.38 0.40 0.00 0.00 0.00 0.00 176.54 177.91 1ux1 h ALA 88 N 1.32 0.87 -0.37 3.60 0.00 -2.00 -1.31 119.26 121.38 1ux1 h ALA 88 Ca 0.31 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1ux1 h ALA 88 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ux1 h ALA 88 CO -0.09 0.14 -0.28 0.00 0.00 0.00 0.00 179.25 179.02 1ux1 h ARG 90 N 0.67 0.81 -0.41 0.00 3.08 -0.82 0.12 114.38 117.84 1ux1 h ARG 90 Ca 0.08 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1ux1 h ARG 90 Cb 0.81 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1ux1 h ARG 90 CO 0.07 0.67 0.07 0.37 -1.07 0.00 0.00 179.97 180.08 1ux1 h GLN 91 N 0.80 0.67 -0.44 0.04 5.75 -0.93 0.08 115.11 121.09 1ux1 h GLN 91 Ca 0.19 -0.18 -0.09 0.00 -0.15 0.00 0.00 58.65 58.42 1ux1 h GLN 91 Cb 0.16 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1ux1 h GLN 91 CO -0.02 0.71 -0.11 0.28 -2.65 0.00 0.00 178.83 177.05 1ux1 h VAL 92 N 0.53 1.26 -0.70 2.39 2.07 -0.80 -2.43 116.25 118.56 1ux1 h VAL 92 Ca 0.12 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 1ux1 h VAL 92 Cb 0.36 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1ux1 h VAL 92 CO 0.01 0.40 0.18 0.40 0.02 0.00 0.00 177.57 178.58 1ux1 h ILE 93 N 0.72 1.26 0.00 4.57 2.04 -0.47 -1.11 117.51 124.51 1ux1 h ILE 93 Ca 0.12 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 1ux1 h ILE 93 Cb 0.59 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1ux1 h ILE 93 CO 0.04 0.37 -0.17 0.77 0.00 0.00 0.00 178.15 179.16 1ux1 h SER 94 N 1.05 0.00 0.19 1.72 4.64 -0.71 -0.17 113.55 120.27 1ux1 h SER 94 Ca 0.22 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.19 1ux1 h SER 94 Cb 0.36 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1ux1 h SER 94 CO 0.00 0.17 -1.74 -0.08 -0.87 0.00 0.00 176.83 174.31 1ux1 h GLU 95 N 0.00 0.40 0.00 4.77 4.57 -1.05 -3.39 114.58 119.88 1ux1 h GLU 95 Ca -0.00 -0.69 0.00 0.00 -1.18 0.00 0.00 59.36 57.49 1ux1 h GLU 95 Cb 0.63 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1ux1 h GLU 95 CO 0.02 1.33 -1.31 1.28 -1.18 0.00 0.00 179.01 179.15 1ux1 n LEU 96 N -3.61 0.51 -4.69 1.64 4.77 -0.46 -4.93 117.00 110.24 1ux1 n LEU 96 Ca -0.25 -0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.41 1ux1 n LEU 96 Cb 1.08 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 42.03 1ux1 n LEU 96 CO 0.52 0.02 -0.33 0.00 -1.33 0.00 0.00 177.39 176.27 1ux1 s THR 98 N -1.21 3.78 -0.13 0.00 -4.23 -1.26 -4.71 115.64 107.88 1ux1 s THR 98 Ca 0.23 0.70 0.23 0.00 -1.18 0.00 0.00 61.69 61.66 1ux1 s THR 98 Cb -0.12 -3.30 0.23 0.00 1.34 0.00 0.00 72.50 70.65 1ux1 s THR 98 CO 0.15 -0.64 1.69 0.11 -0.54 0.00 0.00 174.62 175.39 1ux1 h LYS 99 N -0.27 0.00 0.00 3.99 1.79 -1.95 -2.42 116.57 117.71 1ux1 h LYS 99 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1ux1 h LYS 99 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1ux1 h LYS 99 CO 0.56 0.00 -0.71 -0.40 -1.08 0.00 0.00 179.45 177.82 1ux1 n ASP 100 N -2.30 0.63 -4.67 0.86 5.75 -1.26 -3.62 116.55 111.94 1ux1 n ASP 100 Ca -0.02 -0.35 -0.45 0.00 -0.01 0.00 0.00 54.79 53.97 1ux1 n ASP 100 Cb 0.05 0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 40.60 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 -1.64 0.67 -3.07 2.12 0.31 -0.91 -4.85 118.33 110.96 1ux1 n VAL 101 Ca 0.04 -0.17 -0.40 0.00 -0.01 0.00 0.00 64.34 63.81 1ux1 n VAL 101 Cb 0.36 -1.51 -0.05 0.00 -0.91 0.00 0.00 33.84 31.73 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 0.23 5.02 -0.31 2.52 1.01 -0.54 -3.03 121.20 126.10 1ux1 s ILE 102 Ca 0.71 1.34 -0.09 0.00 0.00 0.00 0.00 60.65 62.61 1ux1 s ILE 102 Cb -0.65 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1ux1 s ILE 102 CO 0.46 0.17 0.13 -0.69 0.00 0.00 0.00 174.94 175.01 1ux1 s VAL 103 N 1.41 4.36 -0.37 2.92 1.01 0.99 -0.93 120.40 129.80 1ux1 s VAL 103 Ca 0.33 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1ux1 s VAL 103 Cb -0.17 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1ux1 s VAL 103 CO 0.14 0.05 0.22 -0.69 0.00 0.00 0.00 175.10 174.82 1ux1 s VAL 104 N 1.57 4.79 -0.12 2.92 1.01 0.99 -1.50 120.40 130.06 1ux1 s VAL 104 Ca 0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1ux1 s VAL 104 Cb -0.17 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1ux1 s VAL 104 CO 0.05 -0.18 0.11 -0.76 0.00 0.00 0.00 175.10 174.33 1ux1 s LEU 105 N 1.61 4.23 0.00 3.92 1.43 0.88 -1.21 118.68 129.54 1ux1 s LEU 105 Ca 0.03 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.46 1ux1 s LEU 105 Cb -0.19 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.03 1ux1 s LEU 105 CO 0.08 0.38 0.44 1.07 0.23 0.00 0.00 176.35 178.54 1ux1 n THR 106 N 2.16 0.00 -2.38 5.49 5.66 -0.60 -0.84 114.28 123.77 1ux1 n THR 106 Ca -0.19 -0.77 0.00 0.00 -3.05 0.00 0.00 64.05 60.04 1ux1 n THR 106 Cb 0.54 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 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 -1.48 0.02 -0.61 1.09 0.23 -1.23 -1.99 115.26 111.29 1ux1 n ASN 107 Ca -0.04 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.14 1ux1 n ASN 107 Cb 0.37 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.38 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 2.00 -1.23 -4.53 4.77 -1.23 -4.16 117.00 112.61 1ux1 n LEU 108 Ca 0.00 -0.66 0.11 0.00 -0.03 0.00 0.00 56.01 55.42 1ux1 n LEU 108 Cb 0.00 -0.02 0.29 0.00 -2.33 0.00 0.00 43.42 41.37 1ux1 n LEU 108 CO 0.00 0.34 0.75 0.00 -1.33 0.00 0.00 177.39 177.15 1ux1 n GLN 109 N 0.44 2.79 -0.40 3.23 6.02 -1.26 -4.96 117.38 123.26 1ux1 n GLN 109 Ca 0.15 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 1ux1 n GLN 109 Cb 0.45 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 1.42 2.11 3.68 1.08 0.00 -1.26 -4.98 105.19 107.25 1ux1 n GLY 110 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.02 4.26 -0.05 1.61 -0.21 -1.26 -4.95 119.66 119.04 1ux1 s GLN 111 Ca 0.00 2.02 0.05 0.00 0.02 0.00 0.00 55.36 57.45 1ux1 s GLN 111 Cb 0.00 -3.63 -0.00 0.00 1.00 0.00 0.00 33.01 30.38 1ux1 s GLN 111 CO 0.00 -0.63 -0.19 0.42 -2.12 0.00 0.00 175.29 172.76 1ux1 s ILE 112 N 2.66 1.60 -0.05 1.08 1.01 -1.26 -3.50 121.20 122.74 1ux1 s ILE 112 Ca 0.66 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1ux1 s ILE 112 Cb -0.32 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.79 1ux1 s ILE 112 CO 0.27 0.46 -0.13 -0.75 0.00 0.00 0.00 174.94 174.78 1ux1 s LYS 113 N 0.01 1.63 0.11 2.79 2.20 -0.02 -5.00 119.74 121.46 1ux1 s LYS 113 Ca -0.05 -0.45 0.10 0.00 -0.36 0.00 0.00 55.97 55.22 1ux1 s LYS 113 Cb -0.12 -1.38 -0.04 0.00 -1.51 0.00 0.00 37.83 34.78 1ux1 s LYS 113 CO 0.03 0.09 -0.26 -2.00 -0.36 0.00 0.00 175.35 172.85 1ux1 s GLU 114 N 0.45 1.53 0.05 4.03 2.12 -1.26 -0.08 118.70 125.53 1ux1 s GLU 114 Ca -0.11 -1.28 -0.27 0.00 0.36 0.00 0.00 54.97 53.68 1ux1 s GLU 114 Cb -0.14 -1.94 0.09 0.00 0.26 0.00 0.00 34.13 32.41 1ux1 s GLU 114 CO 0.03 0.47 0.88 0.00 -0.54 0.00 0.00 175.26 176.09 1ux1 s MET 115 N -1.85 0.95 0.56 4.30 0.23 -0.56 -5.00 119.30 117.93 1ux1 s MET 115 Ca 0.14 -0.40 -0.04 0.00 -1.03 0.00 0.00 55.69 54.36 1ux1 s MET 115 Cb -0.10 0.41 0.01 0.00 -1.53 0.00 0.00 34.83 33.62 1ux1 s MET 115 CO 0.05 -0.42 0.84 0.95 -2.03 0.00 0.00 175.02 174.41 1ux1 s THR 116 N -3.22 3.58 0.16 3.16 -4.23 -1.26 -0.00 115.64 113.82 1ux1 s THR 116 Ca 0.06 -0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.22 1ux1 s THR 116 Cb -0.01 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 70.47 1ux1 s THR 116 CO -0.07 -0.36 1.80 0.58 -0.54 0.00 0.00 174.62 176.03 1ux1 h VAL 117 N -0.03 1.14 -0.84 2.29 2.07 -1.60 -1.11 116.25 118.18 1ux1 h VAL 117 Ca -0.45 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1ux1 h VAL 117 Cb 1.26 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1ux1 h VAL 117 CO 0.59 0.14 0.50 -0.08 0.02 0.00 0.00 177.57 178.74 1ux1 h GLU 118 N 0.64 1.14 -0.04 1.57 4.57 -1.87 -2.45 114.58 118.14 1ux1 h GLU 118 Ca 0.17 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1ux1 h GLU 118 Cb -0.03 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.31 1ux1 h GLU 118 CO -0.03 0.81 -0.39 0.93 -1.18 0.00 0.00 179.01 179.14 1ux1 h GLU 119 N 1.15 0.09 -0.34 1.92 5.08 -1.80 -1.99 114.58 118.69 1ux1 h GLU 119 Ca 0.30 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1ux1 h GLU 119 Cb -0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ux1 h GLU 119 CO -0.06 0.47 -0.25 1.25 -1.00 0.00 0.00 179.01 179.43 1ux1 h LEU 120 N 0.08 0.70 -6.04 1.33 5.85 -0.74 -3.38 115.31 113.10 1ux1 h LEU 120 Ca 0.01 -0.25 -0.48 0.00 0.84 0.00 0.00 57.88 57.99 1ux1 h LEU 120 Cb 0.73 -0.19 -0.33 0.00 0.37 0.00 0.00 40.66 41.24 1ux1 h LEU 120 CO 0.05 0.92 -0.86 -0.22 -0.34 0.00 0.00 178.44 177.99 1ux1 s LEU 121 N -8.81 0.71 0.18 2.25 2.96 -1.07 -5.04 118.68 109.86 1ux1 s LEU 121 Ca -0.09 -2.74 -0.33 0.00 -0.22 0.00 0.00 54.13 50.75 1ux1 s LEU 121 Cb 0.13 0.13 -0.13 0.00 0.50 0.00 0.00 46.19 46.81 1ux1 s LEU 121 CO 0.82 -0.14 1.63 -2.65 -1.32 0.00 0.00 176.35 174.69 1ux1 n PRO 122 N 2.88 2.36 -3.73 0.98 -0.02 -0.76 -2.68 135.00 134.03 1ux1 n PRO 122 Ca 0.27 0.85 -0.26 0.00 -2.02 0.00 0.00 63.50 62.34 1ux1 n PRO 122 Cb 0.50 -2.65 0.06 0.00 -0.02 0.00 0.00 33.50 31.39 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 3.58 -0.51 3.65 -1.23 0.00 -1.26 -4.91 105.19 104.51 1ux1 n GLY 123 Ca 0.17 0.22 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.81 0.58 -1.81 4.61 0.00 -1.09 -4.94 120.51 113.05 1ux1 n ALA 124 Ca -0.00 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 1ux1 n ALA 124 Cb 0.56 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 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 -1.37 2.92 0.31 0.00 5.36 -1.26 -5.00 117.98 118.94 1ux1 s PHE 125 Ca 0.69 1.19 -0.00 0.00 -0.96 0.00 0.00 56.93 57.85 1ux1 s PHE 125 Cb -0.47 -3.82 -0.01 0.00 -0.34 0.00 0.00 43.02 38.37 1ux1 s PHE 125 CO 0.52 -2.49 0.37 -1.54 -1.46 0.00 0.00 175.22 170.62 1ux1 s SER 126 N -0.05 0.93 0.57 6.13 1.04 -1.26 -4.96 113.70 116.09 1ux1 s SER 126 Ca 0.54 -1.50 0.26 0.00 0.48 0.00 0.00 55.95 55.74 1ux1 s SER 126 Cb -0.42 0.58 1.66 0.00 0.10 0.00 0.00 66.02 67.94 1ux1 s SER 126 CO 0.51 -1.15 2.22 0.77 0.98 0.00 0.00 173.24 176.57 1ux1 h SER 127 N 2.21 0.00 -0.29 7.02 4.64 -2.00 -1.55 113.55 123.58 1ux1 h SER 127 Ca -0.28 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 63.31 1ux1 h SER 127 CO 0.40 0.01 0.12 -0.33 -0.87 0.00 0.00 176.83 176.16 1ux1 h GLU 128 N 0.00 0.50 0.00 4.77 3.07 -1.98 -2.11 114.58 118.83 1ux1 h GLU 128 Ca -0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1ux1 h GLU 128 Cb 0.03 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1ux1 h GLU 128 CO 0.00 0.44 0.00 -0.44 -1.40 0.00 0.00 179.01 177.61 1ux1 h ASP 129 N 0.50 0.00 -0.01 1.42 3.32 -1.69 -3.56 116.42 116.41 1ux1 h ASP 129 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1ux1 h ASP 129 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ux1 h ASP 129 CO -0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.69