#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 7.50 0.48 6.12 2.20 -1.26 -4.92 114.94 125.06 1ux1 s ASN 2 Ca 0.00 1.78 0.39 0.00 -0.94 0.00 0.00 52.86 54.09 1ux1 s ASN 2 Cb 0.00 -2.55 1.58 0.00 -2.00 0.00 0.00 41.25 38.28 1ux1 s ASN 2 CO 0.00 0.17 1.58 0.08 -2.94 0.00 0.00 177.10 176.00 1ux1 h ARG 3 N 4.17 0.01 -0.94 3.55 0.11 -2.04 -0.21 114.38 119.03 1ux1 h ARG 3 Ca -0.46 -0.00 0.10 0.00 0.10 0.00 0.00 59.98 59.72 1ux1 h ARG 3 Cb 1.20 -0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.21 1ux1 h ARG 3 CO 0.67 0.01 0.60 1.96 0.10 0.00 0.00 179.97 183.31 1ux1 h GLN 4 N 0.01 0.92 -0.39 0.08 1.08 -1.99 0.12 115.11 114.95 1ux1 h GLN 4 Ca 0.90 -0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 57.90 1ux1 h GLN 4 Cb 3.15 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 30.36 1ux1 h GLN 4 CO -0.30 0.61 -0.30 0.93 -0.95 0.00 0.00 178.83 178.82 1ux1 h GLU 5 N 0.95 0.89 -0.63 1.46 5.08 -1.41 -1.35 114.58 119.58 1ux1 h GLU 5 Ca 0.44 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1ux1 h GLU 5 Cb 0.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1ux1 h GLU 5 CO -0.20 1.09 0.11 1.25 -1.00 0.00 0.00 179.01 180.25 1ux1 h LEU 6 N 0.71 0.98 -0.83 1.33 5.85 -1.40 -2.18 115.31 119.76 1ux1 h LEU 6 Ca 0.07 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ux1 h LEU 6 Cb 0.89 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1ux1 h LEU 6 CO 0.08 0.98 0.47 0.40 -0.34 0.00 0.00 178.44 180.03 1ux1 h ILE 7 N 0.97 1.24 -0.86 4.05 2.04 -0.60 -0.72 117.51 123.63 1ux1 h ILE 7 Ca 0.20 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1ux1 h ILE 7 Cb 0.41 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1ux1 h ILE 7 CO 0.01 0.26 0.55 0.74 0.00 0.00 0.00 178.15 179.72 1ux1 h THR 8 N 1.15 1.14 -0.31 -0.27 2.02 -0.74 -0.46 112.91 115.44 1ux1 h THR 8 Ca 0.30 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1ux1 h THR 8 Cb 0.00 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 1ux1 h THR 8 CO -0.05 0.20 0.06 -0.33 0.37 0.00 0.00 175.52 175.77 1ux1 h GLU 9 N 1.08 0.51 -0.59 6.66 4.39 -0.74 -2.23 114.58 123.66 1ux1 h GLU 9 Ca 0.34 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1ux1 h GLU 9 Cb 0.01 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1ux1 h GLU 9 CO -0.12 0.59 0.31 0.00 -1.16 0.00 0.00 179.01 178.63 1ux1 h ALA 10 N 0.89 1.44 -0.23 3.43 0.00 -0.71 0.80 119.26 124.89 1ux1 h ALA 10 Ca 0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1ux1 h ALA 10 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ux1 h ALA 10 CO 0.00 0.45 -0.32 -0.07 0.00 0.00 0.00 179.25 179.31 1ux1 h LEU 11 N 0.82 0.50 -0.15 0.00 3.38 -0.84 -1.27 115.31 117.74 1ux1 h LEU 11 Ca 0.21 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1ux1 h LEU 11 Cb 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ux1 h LEU 11 CO -0.03 0.80 -0.46 0.11 0.09 0.00 0.00 178.44 178.94 1ux1 h LYS 12 N 0.42 0.59 -0.79 1.13 1.57 -0.76 -3.09 116.57 115.63 1ux1 h LYS 12 Ca 0.05 -0.42 0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1ux1 h LYS 12 Cb 0.77 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 1ux1 h LYS 12 CO 0.06 1.04 0.52 0.00 -0.57 0.00 0.00 179.45 180.50 1ux1 h ALA 13 N 0.54 1.67 -0.33 3.86 0.00 -0.70 -1.40 119.26 122.90 1ux1 h ALA 13 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ux1 h ALA 13 Cb 1.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ux1 h ALA 13 CO 0.10 0.19 0.22 -0.09 0.00 0.00 0.00 179.25 179.67 1ux1 h ARG 14 N 0.81 0.28 0.00 0.00 2.43 -1.15 -1.14 114.38 115.61 1ux1 h ARG 14 Ca 0.35 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1ux1 h ARG 14 Cb 0.30 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1ux1 h ARG 14 CO -0.13 0.18 0.00 -0.44 -1.51 0.00 0.00 179.97 178.08 1ux1 h ASP 15 N 0.29 0.00 0.44 -3.80 3.32 -1.30 -2.32 116.42 113.05 1ux1 h ASP 15 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1ux1 h ASP 15 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ux1 h ASP 15 CO -0.03 0.00 -0.18 0.23 -1.72 0.00 0.00 179.24 177.54 1ux1 n MET 16 N -2.37 0.52 -1.62 3.56 2.81 -0.43 -4.94 117.12 114.64 1ux1 n MET 16 Ca 0.02 -0.21 -0.45 0.00 -1.81 0.00 0.00 57.70 55.25 1ux1 n MET 16 Cb 0.25 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 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 -1.06 0.10 -3.77 3.04 0.00 -0.87 -4.95 120.51 113.00 1ux1 n ALA 17 Ca 0.12 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.62 1ux1 n ALA 17 Cb 0.31 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 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 -0.81 3.48 -0.43 0.00 5.04 -0.52 -4.92 117.35 119.20 1ux1 s TYR 18 Ca 0.61 -2.96 0.10 0.00 -2.44 0.00 0.00 57.07 52.39 1ux1 s TYR 18 Cb -0.70 -3.07 0.39 0.00 0.35 0.00 0.00 41.96 38.93 1ux1 s TYR 18 CO 0.58 -0.76 0.91 0.00 -1.34 0.00 0.00 175.55 174.94 1ux1 n ALA 19 N 2.96 3.59 0.30 3.97 0.00 -1.26 -0.06 120.51 130.01 1ux1 n ALA 19 Ca 0.12 -3.85 0.19 0.00 0.00 0.00 0.00 53.44 49.90 1ux1 n ALA 19 Cb 0.36 -0.81 0.90 0.00 0.00 0.00 0.00 19.45 19.91 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 2.92 0.00 0.08 0.00 0.13 -1.95 0.16 132.00 133.34 1ux1 h PRO 20 Ca 0.10 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.92 1ux1 h PRO 20 Cb 0.89 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1ux1 h PRO 20 CO 0.65 0.00 -1.65 1.88 -0.23 0.00 0.00 178.00 178.65 1ux1 h TYR 21 N 0.00 0.32 0.00 1.56 -1.99 -1.95 -3.39 116.97 111.51 1ux1 h TYR 21 Ca 0.00 -0.23 -0.13 0.00 2.00 0.00 0.00 58.73 60.37 1ux1 h TYR 21 Cb 0.21 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 1ux1 h TYR 21 CO 0.00 1.65 -1.48 -1.13 -0.00 0.00 0.00 178.16 177.20 1ux1 n SER 22 N -3.88 0.68 -0.80 3.88 3.41 -1.21 -4.94 113.62 110.75 1ux1 n SER 22 Ca -0.31 0.29 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 1ux1 n SER 22 Cb 0.90 0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 65.32 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 -2.76 -1.08 -3.76 4.33 4.01 0.54 -4.96 118.16 114.49 1ux1 n LYS 23 Ca -0.09 0.82 -0.37 0.00 -0.51 0.00 0.00 58.31 58.16 1ux1 n LYS 23 Cb 0.77 -4.90 -0.12 0.00 -0.51 0.00 0.00 35.03 30.27 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 -2.21 3.35 -0.04 2.13 5.36 -1.26 -5.07 117.98 120.23 1ux1 s PHE 24 Ca 0.00 -1.75 -0.16 0.00 -0.96 0.00 0.00 56.93 54.05 1ux1 s PHE 24 Cb 0.00 -2.60 -0.05 0.00 -0.34 0.00 0.00 43.02 40.03 1ux1 s PHE 24 CO 0.00 -0.82 0.45 -0.65 -1.46 0.00 0.00 175.22 172.73 1ux1 s GLN 25 N 1.32 4.13 -0.01 10.12 -0.21 -1.26 -4.85 119.66 128.90 1ux1 s GLN 25 Ca 0.01 0.45 0.05 0.00 0.02 0.00 0.00 55.36 55.88 1ux1 s GLN 25 Cb -0.21 -3.31 -0.01 0.00 1.00 0.00 0.00 33.01 30.47 1ux1 s GLN 25 CO 0.00 0.46 -0.15 0.08 -2.12 0.00 0.00 175.29 173.56 1ux1 s VAL 26 N -0.36 1.22 0.12 1.09 1.01 -1.26 -4.29 120.40 117.93 1ux1 s VAL 26 Ca 0.25 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.64 1ux1 s VAL 26 Cb -0.16 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1ux1 s VAL 26 CO 0.12 0.35 -0.18 -0.83 0.00 0.00 0.00 175.10 174.56 1ux1 s GLY 27 N -0.34 1.18 -0.01 4.51 0.00 -0.04 -3.02 107.32 109.60 1ux1 s GLY 27 Ca 0.05 -1.28 -0.11 0.00 0.00 0.00 0.00 44.72 43.38 1ux1 s GLY 27 CO -0.00 -1.31 0.24 0.00 0.00 0.00 0.00 173.10 172.02 1ux1 s ALA 28 N -1.64 -0.59 -0.04 3.20 0.00 0.22 -0.76 121.76 122.14 1ux1 s ALA 28 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1ux1 s ALA 28 Cb -0.08 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1ux1 s ALA 28 CO 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 175.76 175.56 1ux1 s ALA 29 N -1.28 0.47 -0.15 0.00 0.00 0.31 -0.29 121.76 120.81 1ux1 s ALA 29 Ca -0.13 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1ux1 s ALA 29 Cb -0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1ux1 s ALA 29 CO 0.03 -0.15 -0.09 -1.17 0.00 0.00 0.00 175.76 174.38 1ux1 s LEU 30 N 1.21 2.93 -0.24 0.00 2.96 0.94 -0.57 118.68 125.91 1ux1 s LEU 30 Ca -0.07 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1ux1 s LEU 30 Cb -0.13 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1ux1 s LEU 30 CO -0.02 0.15 0.07 -0.22 -1.32 0.00 0.00 176.35 175.01 1ux1 s LEU 31 N 0.43 3.45 0.81 -0.68 2.96 0.37 -0.28 118.68 125.73 1ux1 s LEU 31 Ca -0.07 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 1ux1 s LEU 31 Cb -0.15 -1.92 0.08 0.00 0.50 0.00 0.00 46.19 44.70 1ux1 s LEU 31 CO 0.04 -0.02 1.16 0.42 -1.32 0.00 0.00 176.35 176.63 1ux1 s THR 32 N 1.51 2.27 0.35 3.68 -4.23 0.38 -1.43 115.64 118.18 1ux1 s THR 32 Ca 0.06 0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1ux1 s THR 32 Cb -0.15 -3.05 0.22 0.00 1.34 0.00 0.00 72.50 70.86 1ux1 s THR 32 CO 0.03 -0.12 1.97 0.11 -0.54 0.00 0.00 174.62 176.07 1ux1 h LYS 33 N -1.05 0.67 -0.07 3.99 1.79 -1.66 -1.18 116.57 119.06 1ux1 h LYS 33 Ca -0.46 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 1ux1 h LYS 33 Cb 1.32 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1ux1 h LYS 33 CO 0.65 0.52 0.00 -0.25 -1.08 0.00 0.00 179.45 179.29 1ux1 n ASP 34 N -4.39 0.38 0.00 0.86 8.00 -1.26 -4.88 116.55 115.26 1ux1 n ASP 34 Ca 0.04 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1ux1 n ASP 34 Cb 0.12 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.66 0.56 3.81 0.44 0.00 -0.45 -5.05 105.19 105.17 1ux1 n GLY 35 Ca 0.05 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.39 4.30 -0.11 1.61 2.20 -1.26 -4.79 119.74 121.29 1ux1 s LYS 36 Ca 0.00 0.89 -0.01 0.00 -0.36 0.00 0.00 55.97 56.49 1ux1 s LYS 36 Cb 0.00 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 1ux1 s LYS 36 CO 0.00 0.48 -0.06 0.08 -0.36 0.00 0.00 175.35 175.49 1ux1 s VAL 37 N -1.38 3.73 -0.16 4.02 1.01 -1.26 -0.47 120.40 125.89 1ux1 s VAL 37 Ca 0.39 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1ux1 s VAL 37 Cb -0.18 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1ux1 s VAL 37 CO 0.22 0.55 -0.20 -0.31 0.00 0.00 0.00 175.10 175.36 1ux1 s TYR 38 N -0.19 2.74 0.25 5.22 1.51 0.62 -4.94 117.35 122.57 1ux1 s TYR 38 Ca 0.03 -1.43 -0.09 0.00 -1.01 0.00 0.00 57.07 54.57 1ux1 s TYR 38 Cb -0.13 -1.88 -0.07 0.00 -0.11 0.00 0.00 41.96 39.77 1ux1 s TYR 38 CO 0.03 -0.68 0.56 1.03 -1.11 0.00 0.00 175.55 175.37 1ux1 s ARG 39 N 1.05 3.76 0.02 -0.62 0.52 -1.26 -0.04 118.95 122.39 1ux1 s ARG 39 Ca -0.01 0.22 -0.12 0.00 -0.52 0.00 0.00 55.73 55.30 1ux1 s ARG 39 Cb -0.14 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.71 1ux1 s ARG 39 CO -0.07 0.28 0.25 0.20 0.02 0.00 0.00 175.30 175.98 1ux1 s GLY 40 N -2.58 -0.06 0.13 -3.53 0.00 0.60 -4.29 107.32 97.59 1ux1 s GLY 40 Ca 0.47 -0.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.10 1ux1 s GLY 40 CO 0.24 -0.20 0.22 0.00 0.00 0.00 0.00 173.10 173.36 1ux1 s ASN 42 N -2.94 7.37 -0.22 0.00 4.22 -1.17 -3.54 114.94 118.67 1ux1 s ASN 42 Ca 0.13 1.76 -0.01 0.00 -2.14 0.00 0.00 52.86 52.60 1ux1 s ASN 42 Cb 0.04 -2.54 0.06 0.00 1.28 0.00 0.00 41.25 40.09 1ux1 s ASN 42 CO -0.04 0.05 -0.01 -0.63 -2.04 0.00 0.00 177.10 174.44 1ux1 s ILE 43 N -1.42 1.05 0.77 0.54 1.01 0.39 -1.44 121.20 122.10 1ux1 s ILE 43 Ca 0.44 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 1ux1 s ILE 43 Cb -0.21 -1.44 0.12 0.00 0.01 0.00 0.00 42.46 40.94 1ux1 s ILE 43 CO 0.26 -0.17 1.07 -1.61 0.00 0.00 0.00 174.94 174.49 1ux1 s GLU 44 N 1.61 1.61 -0.05 2.79 2.02 0.91 -1.70 118.70 125.89 1ux1 s GLU 44 Ca -0.03 -0.69 -0.14 0.00 0.02 0.00 0.00 54.97 54.12 1ux1 s GLU 44 Cb -0.18 -2.18 0.03 0.00 0.10 0.00 0.00 34.13 31.90 1ux1 s GLU 44 CO -0.07 -1.59 0.32 1.21 0.02 0.00 0.00 175.26 175.15 1ux1 s ASN 45 N -4.70 -0.25 0.47 -0.19 3.84 -1.26 -4.89 114.94 107.96 1ux1 s ASN 45 Ca 0.66 0.29 0.21 0.00 0.21 0.00 0.00 52.86 54.23 1ux1 s ASN 45 Cb -0.07 0.44 1.22 0.00 -0.55 0.00 0.00 41.25 42.29 1ux1 s ASN 45 CO 0.46 -0.34 1.92 0.00 -2.79 0.00 0.00 177.10 176.35 1ux1 h ALA 46 N 4.45 2.36 -2.54 1.71 0.00 -2.01 -3.04 119.26 120.19 1ux1 h ALA 46 Ca -0.29 -0.01 -0.77 0.00 0.00 0.00 0.00 54.91 53.85 1ux1 h ALA 46 Cb 1.18 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1ux1 h ALA 46 CO 0.36 -0.58 0.37 0.00 0.00 0.00 0.00 179.25 179.40 1ux1 s ALA 47 N -5.24 3.99 0.28 0.00 0.00 -1.26 -4.96 121.76 114.56 1ux1 s ALA 47 Ca -0.07 -3.25 0.22 0.00 0.00 0.00 0.00 51.96 48.86 1ux1 s ALA 47 Cb 0.21 -3.68 0.93 0.00 0.00 0.00 0.00 23.12 20.59 1ux1 s ALA 47 CO 0.76 -2.46 0.94 0.66 0.00 0.00 0.00 175.76 175.67 1ux1 n TYR 48 N 4.51 0.35 0.29 0.00 0.53 -1.15 -1.57 117.16 120.11 1ux1 n TYR 48 Ca 0.18 0.35 0.15 0.00 -1.02 0.00 0.00 57.90 57.56 1ux1 n TYR 48 Cb 0.46 -0.72 0.89 0.00 -1.03 0.00 0.00 39.34 38.94 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 0.79 7.72 4.64 -1.93 -2.70 113.55 122.07 1ux1 h SER 49 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1ux1 h SER 49 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1ux1 h SER 49 CO -0.23 0.04 -0.01 0.23 -0.87 0.00 0.00 176.83 175.99 1ux1 n MET 50 N -3.72 0.20 -1.65 4.77 2.81 -0.61 -4.93 117.12 113.99 1ux1 n MET 50 Ca -0.03 -0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.39 1ux1 n MET 50 Cb 0.13 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 1ux1 n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ux1 s ASN 52 N 0.75 4.63 0.36 0.00 2.47 -0.69 -4.99 114.94 117.46 1ux1 s ASN 52 Ca 0.79 -0.14 -0.08 0.00 0.42 0.00 0.00 52.86 53.85 1ux1 s ASN 52 Cb -0.73 -1.61 -0.06 0.00 -1.45 0.00 0.00 41.25 37.40 1ux1 s ASN 52 CO 0.41 0.22 0.68 -1.00 -3.72 0.00 0.00 177.10 173.68 1ux1 s HIS 53 N 0.08 3.48 0.18 0.43 3.76 -1.26 -0.46 115.29 121.49 1ux1 s HIS 53 Ca -0.02 0.85 -0.15 0.00 -0.15 0.00 0.00 55.06 55.59 1ux1 s HIS 53 Cb -0.14 -2.29 0.16 0.00 1.11 0.00 0.00 32.58 31.43 1ux1 s HIS 53 CO 0.03 0.00 1.66 0.00 -0.85 0.00 0.00 174.74 175.58 1ux1 h ALA 54 N 1.35 0.36 -0.55 -1.40 0.00 -1.83 0.37 119.26 117.56 1ux1 h ALA 54 Ca -0.47 0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1ux1 h ALA 54 Cb 1.19 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1ux1 h ALA 54 CO 0.65 -0.43 0.25 0.93 0.00 0.00 0.00 179.25 180.65 1ux1 h GLU 55 N 0.02 0.47 -0.39 0.00 3.07 -1.89 -1.65 114.58 114.21 1ux1 h GLU 55 Ca 0.24 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.94 1ux1 h GLU 55 Cb 0.36 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1ux1 h GLU 55 CO -0.48 0.31 -0.27 1.96 -1.40 0.00 0.00 179.01 179.13 1ux1 h GLN 56 N 0.48 0.87 -0.42 2.33 4.20 -1.76 -2.26 115.11 118.55 1ux1 h GLN 56 Ca 0.26 -0.42 0.04 0.00 0.06 0.00 0.00 58.65 58.59 1ux1 h GLN 56 Cb 0.22 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1ux1 h GLN 56 CO -0.21 1.06 0.20 1.15 -0.67 0.00 0.00 178.83 180.36 1ux1 h THR 57 N 0.68 0.95 -0.30 -0.54 2.02 -0.51 0.28 112.91 115.49 1ux1 h THR 57 Ca 0.08 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1ux1 h THR 57 Cb 0.84 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1ux1 h THR 57 CO 0.07 0.07 0.17 0.00 0.37 0.00 0.00 175.52 176.21 1ux1 h ALA 58 N 1.24 0.38 -0.57 6.16 0.00 -1.26 -1.32 119.26 123.90 1ux1 h ALA 58 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ux1 h ALA 58 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ux1 h ALA 58 CO -0.15 -0.10 0.15 -0.07 0.00 0.00 0.00 179.25 179.09 1ux1 h LEU 59 N 0.37 0.85 -0.93 0.00 3.38 -0.95 -2.57 115.31 115.46 1ux1 h LEU 59 Ca 0.11 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1ux1 h LEU 59 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1ux1 h LEU 59 CO -0.02 0.85 -0.38 -0.26 0.09 0.00 0.00 178.44 178.72 1ux1 h PHE 60 N 0.81 0.35 -0.37 1.13 0.05 -0.30 -1.65 116.94 116.96 1ux1 h PHE 60 Ca 0.18 -0.09 -0.10 0.00 3.82 0.00 0.00 57.97 61.78 1ux1 h PHE 60 Cb 0.32 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.18 1ux1 h PHE 60 CO 0.02 0.65 -0.14 0.87 -0.18 0.00 0.00 178.31 179.53 1ux1 h LYS 61 N 0.26 0.75 0.87 1.51 1.57 -1.16 -1.55 116.57 118.82 1ux1 h LYS 61 Ca 0.03 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1ux1 h LYS 61 Cb 0.79 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.08 1ux1 h LYS 61 CO 0.06 0.92 -0.42 0.00 -0.57 0.00 0.00 179.45 179.44 1ux1 h ALA 62 N 0.81 -1.17 -0.83 3.86 0.00 -1.26 -2.74 119.26 117.93 1ux1 h ALA 62 Ca 0.09 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1ux1 h ALA 62 Cb 0.67 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1ux1 h ALA 62 CO 0.05 -1.15 0.46 0.28 0.00 0.00 0.00 179.25 178.89 1ux1 h VAL 63 N -1.19 0.85 0.00 0.00 2.07 -1.09 0.13 116.25 117.02 1ux1 h VAL 63 Ca -0.12 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1ux1 h VAL 63 Cb 0.90 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1ux1 h VAL 63 CO 0.20 0.13 0.00 -1.54 0.02 0.00 0.00 177.57 176.38 1ux1 n SER 64 N -4.79 0.00 -0.58 0.57 3.41 -0.58 -1.61 113.62 110.04 1ux1 n SER 64 Ca 0.15 0.16 0.09 0.00 -0.26 0.00 0.00 58.87 59.01 1ux1 n SER 64 Cb 0.33 -0.34 0.04 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.34 1.54 -0.04 4.33 -0.58 -0.04 -4.97 120.64 119.54 1ux1 n GLU 65 Ca 0.07 -1.28 0.00 0.00 -0.42 0.00 0.00 57.16 55.53 1ux1 n GLU 65 Cb 0.15 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.08 0.44 3.59 0.62 0.00 -0.63 -5.05 105.19 105.23 1ux1 n GLY 66 Ca 0.09 0.00 -0.41 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 -2.77 6.38 0.00 1.61 -0.00 -0.76 -4.89 116.67 116.25 1ux1 s ASP 67 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 52.55 52.81 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 -0.40 0.35 0.35 -0.00 0.00 0.00 175.17 175.47 1ux1 n THR 68 N 5.32 0.00 -3.75 -1.27 -2.24 -1.26 -2.70 114.28 108.39 1ux1 n THR 68 Ca -0.04 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 1ux1 n THR 68 Cb 0.49 1.29 -0.12 0.00 -2.10 0.00 0.00 70.33 69.89 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 -0.01 3.68 0.20 -0.78 0.41 -1.26 -4.94 118.70 116.01 1ux1 s GLU 69 Ca 0.00 -0.46 0.08 0.00 -0.41 0.00 0.00 54.97 54.17 1ux1 s GLU 69 Cb 0.00 -3.35 -0.05 0.00 -1.78 0.00 0.00 34.13 28.95 1ux1 s GLU 69 CO 0.00 -0.18 -0.15 -0.06 -0.49 0.00 0.00 175.26 174.38 1ux1 s PHE 70 N 1.61 1.72 0.00 1.61 0.40 -1.26 -1.87 117.98 120.19 1ux1 s PHE 70 Ca 0.06 -0.57 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 1ux1 s PHE 70 Cb -0.15 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.58 1ux1 s PHE 70 CO 0.04 0.36 0.00 0.00 0.70 0.00 0.00 175.22 176.32 1ux1 n GLN 71 N -0.34 2.65 -3.70 0.44 10.64 -0.52 -4.73 117.38 121.82 1ux1 n GLN 71 Ca -0.08 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.95 1ux1 n GLN 71 Cb 0.60 -0.85 -0.09 0.00 -0.86 0.00 0.00 30.24 29.04 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 -1.70 0.67 -0.06 2.61 0.00 -1.20 -1.44 119.30 118.18 1ux1 s MET 72 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 55.69 55.94 1ux1 s MET 72 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 34.83 35.16 1ux1 s MET 72 CO 0.00 -0.15 -0.04 -1.17 0.00 0.00 0.00 175.02 173.66 1ux1 s LEU 73 N -0.60 1.10 -0.07 4.11 2.96 0.02 -0.48 118.68 125.72 1ux1 s LEU 73 Ca -0.07 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1ux1 s LEU 73 Cb -0.03 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.12 1ux1 s LEU 73 CO 0.04 -0.10 -0.10 0.00 -1.32 0.00 0.00 176.35 174.86 1ux1 s ALA 74 N 1.31 2.82 -0.02 5.97 0.00 0.27 -0.22 121.76 131.89 1ux1 s ALA 74 Ca -0.05 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1ux1 s ALA 74 Cb -0.14 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 1ux1 s ALA 74 CO -0.02 0.51 -0.11 0.08 0.00 0.00 0.00 175.76 176.22 1ux1 s VAL 75 N -0.60 0.89 -0.03 0.00 1.01 -0.38 -0.53 120.40 120.76 1ux1 s VAL 75 Ca 0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1ux1 s VAL 75 Cb -0.11 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1ux1 s VAL 75 CO 0.02 0.27 0.08 0.00 0.00 0.00 0.00 175.10 175.46 1ux1 s ALA 76 N 0.02 -0.20 0.18 5.51 0.00 0.06 -1.57 121.76 125.75 1ux1 s ALA 76 Ca -0.01 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 1ux1 s ALA 76 Cb -0.07 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1ux1 s ALA 76 CO 0.00 -0.05 0.43 0.00 0.00 0.00 0.00 175.76 176.15 1ux1 s ALA 77 N -0.04 -0.62 -1.42 0.00 0.00 -1.22 -0.86 121.76 117.60 1ux1 s ALA 77 Ca -0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 1ux1 s ALA 77 Cb -0.01 0.83 0.06 0.00 0.00 0.00 0.00 23.12 24.00 1ux1 s ALA 77 CO 0.00 -0.73 2.30 -3.47 0.00 0.00 0.00 175.76 173.86 1ux1 n ASP 78 N -0.28 5.80 -4.62 0.00 2.03 -1.26 -3.50 116.55 114.71 1ux1 n ASP 78 Ca -0.10 -2.91 -0.24 0.00 0.52 0.00 0.00 54.79 52.06 1ux1 n ASP 78 Cb 0.63 -1.54 -0.08 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 1.56 3.38 0.22 5.18 -4.23 -1.26 -4.98 115.64 115.51 1ux1 s THR 79 Ca 0.50 -1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 1ux1 s THR 79 Cb 0.14 -2.77 0.19 0.00 1.34 0.00 0.00 72.50 71.41 1ux1 s THR 79 CO -0.06 -0.29 1.70 -0.65 -0.54 0.00 0.00 174.62 174.78 1ux1 h PRO 80 N 2.20 0.26 0.00 3.99 0.11 -2.00 -3.43 132.00 133.13 1ux1 h PRO 80 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1ux1 h PRO 80 Cb 1.24 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ux1 h PRO 80 CO 0.59 0.17 -0.01 0.41 -0.21 0.00 0.00 178.00 178.95 1ux1 n GLY 81 N -1.33 3.99 3.67 -0.55 0.00 -1.26 -4.97 105.19 104.74 1ux1 n GLY 81 Ca 0.11 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.12 1.65 -2.16 1.61 -0.02 -1.26 -4.54 135.00 130.16 1ux1 n PRO 82 Ca -0.01 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 1ux1 n PRO 82 Cb 0.02 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.22 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 -1.25 2.86 -0.31 -1.45 0.11 -0.81 -4.84 120.40 114.72 1ux1 s VAL 83 Ca 0.64 0.72 -0.09 0.00 -2.93 0.00 0.00 61.98 60.31 1ux1 s VAL 83 Cb -0.51 -3.40 -0.01 0.00 -1.53 0.00 0.00 36.38 30.94 1ux1 s VAL 83 CO 0.56 0.06 0.15 -0.55 -3.33 0.00 0.00 175.10 171.99 1ux1 s SER 84 N -1.03 5.53 0.37 3.54 0.15 -1.26 -4.60 113.70 116.39 1ux1 s SER 84 Ca 0.60 -0.53 -0.28 0.00 0.70 0.00 0.00 55.95 56.44 1ux1 s SER 84 Cb -0.34 -2.00 -0.11 0.00 -1.71 0.00 0.00 66.02 61.86 1ux1 s SER 84 CO 0.42 -0.19 1.42 -2.65 1.20 0.00 0.00 173.24 173.44 1ux1 n PRO 85 N 4.98 2.48 -1.38 5.44 -0.02 -1.26 -4.97 135.00 140.27 1ux1 n PRO 85 Ca -0.14 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 1ux1 n PRO 85 Cb 0.49 -2.56 0.11 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.32 1.39 1.04 0.00 0.00 -1.99 -1.54 103.07 100.66 1ux1 h GLY 87 Ca -0.48 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.43 1ux1 h GLY 87 CO 0.57 0.20 0.32 0.00 0.00 0.00 0.00 176.54 177.63 1ux1 h ALA 88 N 1.46 1.02 -0.43 3.60 0.00 -2.00 -1.49 119.26 121.42 1ux1 h ALA 88 Ca 0.42 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1ux1 h ALA 88 Cb 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ux1 h ALA 88 CO -0.22 0.64 -0.26 0.00 0.00 0.00 0.00 179.25 179.41 1ux1 h ARG 90 N 0.78 1.04 -0.24 0.00 3.08 -0.93 0.18 114.38 118.29 1ux1 h ARG 90 Ca 0.09 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ux1 h ARG 90 Cb 0.82 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1ux1 h ARG 90 CO 0.07 0.78 0.13 0.37 -1.07 0.00 0.00 179.97 180.25 1ux1 h GLN 91 N 1.04 0.34 -0.36 0.04 5.75 -1.01 0.82 115.11 121.73 1ux1 h GLN 91 Ca 0.26 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 1ux1 h GLN 91 Cb 0.06 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1ux1 h GLN 91 CO -0.04 0.32 -0.05 0.28 -2.65 0.00 0.00 178.83 176.69 1ux1 h VAL 92 N 0.27 1.22 -0.52 2.39 2.07 -0.99 -2.32 116.25 118.38 1ux1 h VAL 92 Ca 0.08 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.55 1ux1 h VAL 92 Cb 0.08 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1ux1 h VAL 92 CO -0.01 0.32 -0.12 0.40 0.02 0.00 0.00 177.57 178.17 1ux1 h ILE 93 N 0.55 1.27 0.00 4.57 2.04 -0.53 -1.66 117.51 123.75 1ux1 h ILE 93 Ca 0.11 -1.28 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 1ux1 h ILE 93 Cb 0.43 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1ux1 h ILE 93 CO 0.02 0.45 -0.14 0.77 0.00 0.00 0.00 178.15 179.24 1ux1 h SER 94 N 0.87 0.00 0.13 1.72 4.64 -0.41 -0.62 113.55 119.88 1ux1 h SER 94 Ca 0.13 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.17 1ux1 h SER 94 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1ux1 h SER 94 CO 0.05 0.14 -1.41 -0.08 -0.87 0.00 0.00 176.83 174.66 1ux1 h GLU 95 N 0.00 0.27 0.00 4.77 4.57 -1.20 -3.39 114.58 119.60 1ux1 h GLU 95 Ca -0.00 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1ux1 h GLU 95 Cb 0.55 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1ux1 h GLU 95 CO 0.02 1.22 -0.75 1.28 -1.18 0.00 0.00 179.01 179.60 1ux1 n LEU 96 N -3.89 0.68 -4.49 1.64 4.77 -0.64 -4.91 117.00 110.16 1ux1 n LEU 96 Ca -0.24 -0.16 -0.32 0.00 -0.03 0.00 0.00 56.01 55.26 1ux1 n LEU 96 Cb 0.92 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.74 1ux1 n LEU 96 CO 0.43 0.15 -0.46 0.00 -1.33 0.00 0.00 177.39 176.18 1ux1 s THR 98 N -0.85 3.06 -0.88 0.00 -4.23 -1.26 -4.70 115.64 106.77 1ux1 s THR 98 Ca 0.14 0.41 0.07 0.00 -1.18 0.00 0.00 61.69 61.13 1ux1 s THR 98 Cb -0.11 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 70.93 1ux1 s THR 98 CO 0.03 -0.38 1.23 0.29 -0.54 0.00 0.00 174.62 175.25 1ux1 n LYS 99 N -3.13 0.03 0.01 3.99 5.02 -1.26 -2.25 118.16 120.57 1ux1 n LYS 99 Ca 0.10 0.45 0.11 0.00 -2.02 0.00 0.00 58.31 56.95 1ux1 n LYS 99 Cb 0.52 -1.57 0.05 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.62 0.67 -4.67 4.39 5.75 -1.26 -3.36 116.55 116.45 1ux1 n ASP 100 Ca 0.01 -0.43 -0.43 0.00 -0.01 0.00 0.00 54.79 53.93 1ux1 n ASP 100 Cb 0.06 0.70 -0.01 0.00 -1.03 0.00 0.00 41.12 40.83 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 -1.70 1.85 -3.36 2.12 0.31 -0.95 -4.75 118.33 111.84 1ux1 n VAL 101 Ca 0.03 -0.46 -0.38 0.00 -0.01 0.00 0.00 64.34 63.52 1ux1 n VAL 101 Cb 0.38 -1.44 -0.07 0.00 -0.91 0.00 0.00 33.84 31.80 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 -0.94 5.20 -0.28 2.52 1.01 -0.52 -1.64 121.20 126.55 1ux1 s ILE 102 Ca 0.58 0.83 -0.08 0.00 0.00 0.00 0.00 60.65 61.98 1ux1 s ILE 102 Cb -0.61 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 1ux1 s ILE 102 CO 0.60 0.29 0.10 -0.69 0.00 0.00 0.00 174.94 175.24 1ux1 s VAL 103 N 0.93 4.35 -0.33 2.92 1.01 0.11 -0.80 120.40 128.59 1ux1 s VAL 103 Ca 0.22 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1ux1 s VAL 103 Cb -0.15 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1ux1 s VAL 103 CO 0.09 0.20 0.16 -0.69 0.00 0.00 0.00 175.10 174.86 1ux1 s VAL 104 N 1.59 4.52 -0.11 2.92 1.01 0.70 -1.46 120.40 129.58 1ux1 s VAL 104 Ca 0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1ux1 s VAL 104 Cb -0.16 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1ux1 s VAL 104 CO 0.04 -0.04 0.07 -0.76 0.00 0.00 0.00 175.10 174.42 1ux1 s LEU 105 N 1.58 3.97 0.00 3.92 1.43 0.10 -1.25 118.68 128.43 1ux1 s LEU 105 Ca 0.03 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1ux1 s LEU 105 Cb -0.18 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1ux1 s LEU 105 CO 0.06 0.37 0.39 1.07 0.23 0.00 0.00 176.35 178.47 1ux1 n THR 106 N 2.20 0.00 -2.21 5.49 5.66 -0.61 -0.89 114.28 123.93 1ux1 n THR 106 Ca -0.19 -0.73 0.00 0.00 -3.05 0.00 0.00 64.05 60.08 1ux1 n THR 106 Cb 0.54 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 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 -1.49 0.09 -1.49 1.09 0.23 -1.21 -1.92 115.26 110.56 1ux1 n ASN 107 Ca -0.03 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.10 1ux1 n ASN 107 Cb 0.34 0.00 0.34 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 4.73 -0.50 -4.53 4.77 -1.23 -4.42 117.00 115.82 1ux1 n LEU 108 Ca 0.00 -2.58 0.03 0.00 -0.03 0.00 0.00 56.01 53.44 1ux1 n LEU 108 Cb 0.00 -0.57 0.05 0.00 -2.33 0.00 0.00 43.42 40.57 1ux1 n LEU 108 CO 0.00 0.76 0.32 0.00 -1.33 0.00 0.00 177.39 177.14 1ux1 n GLN 109 N 0.79 0.43 -0.87 3.23 6.02 -1.26 -5.03 117.38 120.68 1ux1 n GLN 109 Ca 0.25 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.58 1ux1 n GLN 109 Cb 0.92 -0.77 0.00 0.00 1.02 0.00 0.00 30.24 31.41 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 -0.39 0.61 3.69 1.08 0.00 -1.26 -5.03 105.19 103.89 1ux1 n GLY 110 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.13 4.38 -0.02 1.61 1.11 -1.26 -4.99 119.66 120.36 1ux1 s GLN 111 Ca 0.00 1.01 0.04 0.00 0.01 0.00 0.00 55.36 56.42 1ux1 s GLN 111 Cb 0.00 -3.51 -0.01 0.00 -1.01 0.00 0.00 33.01 28.48 1ux1 s GLN 111 CO 0.00 -0.15 -0.15 0.42 0.01 0.00 0.00 175.29 175.42 1ux1 s ILE 112 N 1.51 1.23 -0.02 1.08 1.01 -1.26 -3.34 121.20 121.41 1ux1 s ILE 112 Ca 0.40 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1ux1 s ILE 112 Cb -0.18 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.26 1ux1 s ILE 112 CO 0.16 0.35 -0.05 -0.75 0.00 0.00 0.00 174.94 174.66 1ux1 s LYS 113 N -0.21 0.57 0.05 2.79 2.20 -0.07 -5.00 119.74 120.08 1ux1 s LYS 113 Ca 0.03 -0.14 0.08 0.00 -0.36 0.00 0.00 55.97 55.58 1ux1 s LYS 113 Cb -0.08 -0.59 -0.03 0.00 -1.51 0.00 0.00 37.83 35.63 1ux1 s LYS 113 CO 0.00 0.03 -0.22 -2.00 -0.36 0.00 0.00 175.35 172.80 1ux1 s GLU 114 N 0.35 1.46 -0.03 4.03 2.12 -1.26 0.03 118.70 125.40 1ux1 s GLU 114 Ca -0.04 -1.02 -0.29 0.00 0.36 0.00 0.00 54.97 53.98 1ux1 s GLU 114 Cb -0.08 -1.62 0.08 0.00 0.26 0.00 0.00 34.13 32.78 1ux1 s GLU 114 CO -0.00 0.41 0.74 0.00 -0.54 0.00 0.00 175.26 175.87 1ux1 s MET 115 N -1.30 1.00 0.68 4.30 0.23 -0.54 -5.00 119.30 118.67 1ux1 s MET 115 Ca 0.09 0.06 -0.11 0.00 -1.03 0.00 0.00 55.69 54.69 1ux1 s MET 115 Cb -0.09 0.47 -0.00 0.00 -1.53 0.00 0.00 34.83 33.67 1ux1 s MET 115 CO 0.02 -0.35 1.07 0.95 -2.03 0.00 0.00 175.02 174.68 1ux1 s THR 116 N -1.82 3.94 0.46 3.16 -4.23 -1.26 0.08 115.64 115.97 1ux1 s THR 116 Ca -0.06 0.63 0.15 0.00 -1.18 0.00 0.00 61.69 61.24 1ux1 s THR 116 Cb -0.00 -3.61 0.32 0.00 1.34 0.00 0.00 72.50 70.55 1ux1 s THR 116 CO 0.03 -0.82 2.03 0.58 -0.54 0.00 0.00 174.62 175.89 1ux1 h VAL 117 N -0.55 0.92 0.36 2.29 2.07 -1.35 -2.53 116.25 117.45 1ux1 h VAL 117 Ca -0.45 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1ux1 h VAL 117 Cb 1.23 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1ux1 h VAL 117 CO 0.63 0.05 -0.17 -0.08 0.02 0.00 0.00 177.57 178.02 1ux1 h GLU 118 N 0.28 -0.46 -0.10 1.57 4.57 -1.86 -3.22 114.58 115.35 1ux1 h GLU 118 Ca 0.20 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.44 1ux1 h GLU 118 Cb 0.43 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1ux1 h GLU 118 CO -0.04 -0.15 0.17 0.93 -1.18 0.00 0.00 179.01 178.74 1ux1 h GLU 119 N -0.84 0.00 -0.14 1.92 5.08 -1.80 -2.01 114.58 116.79 1ux1 h GLU 119 Ca -0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1ux1 h GLU 119 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ux1 h GLU 119 CO 0.08 0.00 -0.51 1.25 -1.00 0.00 0.00 179.01 178.83 1ux1 h LEU 120 N 0.00 0.42 -5.72 1.33 5.85 -1.48 -3.38 115.31 112.32 1ux1 h LEU 120 Ca 0.05 -0.21 -0.41 0.00 0.84 0.00 0.00 57.88 58.15 1ux1 h LEU 120 Cb 0.38 -0.12 -0.29 0.00 0.37 0.00 0.00 40.66 41.00 1ux1 h LEU 120 CO -0.00 0.85 -0.80 -0.11 -0.34 0.00 0.00 178.44 178.04 1ux1 n LEU 121 N -3.96 -1.54 -4.74 2.25 7.94 -0.79 -5.03 117.00 111.13 1ux1 n LEU 121 Ca -0.02 -3.88 -0.42 0.00 -1.11 0.00 0.00 56.01 50.58 1ux1 n LEU 121 Cb 0.56 0.67 -0.02 0.00 0.53 0.00 0.00 43.42 45.16 1ux1 n LEU 121 CO 0.45 1.94 1.26 -2.84 -1.11 0.00 0.00 177.39 177.08 1ux1 s PRO 122 N 0.14 4.15 -1.12 1.96 0.02 -0.98 -2.62 135.00 136.55 1ux1 s PRO 122 Ca 0.32 2.53 -0.01 0.00 0.02 0.00 0.00 61.00 63.86 1ux1 s PRO 122 Cb 0.08 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1ux1 s PRO 122 CO -0.15 -0.63 0.12 0.41 -0.33 0.00 0.00 177.00 176.42 1ux1 n GLY 123 N 2.77 -0.16 3.59 0.52 0.00 -1.26 -4.95 105.19 105.70 1ux1 n GLY 123 Ca 0.10 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.04 0.02 -1.77 4.61 0.00 -1.08 -4.93 120.51 115.33 1ux1 n ALA 124 Ca -0.14 0.06 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1ux1 n ALA 124 Cb 0.61 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.48 3.04 0.27 0.00 5.36 -1.26 -5.02 117.98 118.89 1ux1 s PHE 125 Ca 0.71 1.44 -0.09 0.00 -0.96 0.00 0.00 56.93 58.04 1ux1 s PHE 125 Cb -0.45 -3.64 -0.01 0.00 -0.34 0.00 0.00 43.02 38.58 1ux1 s PHE 125 CO 0.51 -1.79 0.44 -1.54 -1.46 0.00 0.00 175.22 171.37 1ux1 s SER 126 N -0.59 0.20 0.54 6.13 1.04 -1.26 -4.95 113.70 114.81 1ux1 s SER 126 Ca 0.50 -1.14 0.27 0.00 0.48 0.00 0.00 55.95 56.06 1ux1 s SER 126 Cb -0.39 0.58 1.43 0.00 0.10 0.00 0.00 66.02 67.75 1ux1 s SER 126 CO 0.51 -1.15 1.97 0.77 0.98 0.00 0.00 173.24 176.31 1ux1 h SER 127 N 2.26 0.00 -0.95 7.02 4.64 -2.00 -0.16 113.55 124.36 1ux1 h SER 127 Ca -0.28 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1ux1 h SER 127 Cb 1.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 1ux1 h SER 127 CO 0.39 0.00 0.63 -0.33 -0.87 0.00 0.00 176.83 176.65 1ux1 h GLU 128 N 0.00 1.23 -0.45 4.77 3.07 -1.96 -2.42 114.58 118.83 1ux1 h GLU 128 Ca 0.28 -0.07 0.05 0.00 -0.50 0.00 0.00 59.36 59.12 1ux1 h GLU 128 Cb 1.15 -0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 1ux1 h GLU 128 CO -0.00 0.82 0.30 -0.44 -1.40 0.00 0.00 179.01 178.29 1ux1 h ASP 129 N 1.27 0.34 0.00 1.42 3.32 -1.43 0.33 116.42 121.67 1ux1 h ASP 129 Ca 0.36 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1ux1 h ASP 129 Cb -0.11 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1ux1 h ASP 129 CO -0.09 0.22 0.00 0.18 -1.72 0.00 0.00 179.24 177.84 1ux1 n LEU 130 N -4.48 0.12 0.00 1.55 4.77 -0.91 -5.08 117.00 112.97 1ux1 n LEU 130 Ca 0.06 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ux1 n LEU 130 Cb 0.23 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1ux1 n LEU 130 CO 0.35 0.03 0.00 1.57 -1.33 0.00 0.00 177.39 178.01