#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 3.32 0.39 6.12 2.20 -1.26 -4.88 114.94 120.82 1ux1 s ASN 2 Ca 0.00 0.56 0.14 0.00 -0.94 0.00 0.00 52.86 52.62 1ux1 s ASN 2 Cb 0.00 -0.83 0.79 0.00 -2.00 0.00 0.00 41.25 39.20 1ux1 s ASN 2 CO 0.00 -2.63 1.86 0.08 -2.94 0.00 0.00 177.10 173.47 1ux1 h ARG 3 N -1.56 0.00 -0.79 3.55 0.11 -2.04 -2.48 114.38 111.16 1ux1 h ARG 3 Ca -0.46 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.59 1ux1 h ARG 3 Cb 1.28 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.33 1ux1 h ARG 3 CO 0.49 0.33 0.38 0.37 0.10 0.00 0.00 179.97 181.64 1ux1 h GLN 4 N 0.00 1.14 -0.01 0.08 -0.00 -1.99 0.15 115.11 114.49 1ux1 h GLN 4 Ca -0.00 -0.17 -0.20 0.00 -0.00 0.00 0.00 58.65 58.28 1ux1 h GLN 4 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.87 1ux1 h GLN 4 CO 0.04 0.88 -0.87 0.93 0.00 0.00 0.00 178.83 179.81 1ux1 h GLU 5 N 1.13 0.27 -0.23 1.69 5.08 -1.86 -2.43 114.58 118.23 1ux1 h GLU 5 Ca 0.27 -0.28 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1ux1 h GLU 5 Cb 0.12 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1ux1 h GLU 5 CO -0.03 0.99 -0.51 1.25 -1.00 0.00 0.00 179.01 179.71 1ux1 h LEU 6 N 0.16 0.71 -0.77 1.33 5.85 -1.07 -2.80 115.31 118.71 1ux1 h LEU 6 Ca -0.05 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1ux1 h LEU 6 Cb 1.49 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 1ux1 h LEU 6 CO 0.14 1.09 0.46 0.40 -0.34 0.00 0.00 178.44 180.19 1ux1 h ILE 7 N 0.51 1.22 -0.90 4.05 2.04 -0.65 -1.29 117.51 122.49 1ux1 h ILE 7 Ca 0.02 -0.50 0.10 0.00 1.00 0.00 0.00 64.86 65.48 1ux1 h ILE 7 Cb 1.06 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1ux1 h ILE 7 CO 0.10 0.23 0.58 0.74 0.00 0.00 0.00 178.15 179.81 1ux1 h THR 8 N 1.06 0.96 -0.24 -0.27 2.02 -1.21 -0.22 112.91 115.02 1ux1 h THR 8 Ca 0.28 -0.31 -0.18 0.00 0.77 0.00 0.00 66.41 66.96 1ux1 h THR 8 Cb -0.03 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1ux1 h THR 8 CO -0.05 0.16 -0.59 -0.33 0.37 0.00 0.00 175.52 175.09 1ux1 h GLU 9 N 0.90 0.76 -0.56 6.66 4.39 -1.04 -2.54 114.58 123.14 1ux1 h GLU 9 Ca 0.42 -0.51 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1ux1 h GLU 9 Cb 0.42 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1ux1 h GLU 9 CO -0.18 1.13 0.05 0.00 -1.16 0.00 0.00 179.01 178.85 1ux1 h ALA 10 N 0.76 1.02 -0.43 3.43 0.00 -0.23 0.70 119.26 124.51 1ux1 h ALA 10 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1ux1 h ALA 10 Cb 1.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1ux1 h ALA 10 CO 0.12 0.61 -0.10 -0.07 0.00 0.00 0.00 179.25 179.82 1ux1 h LEU 11 N 0.87 0.74 -0.21 0.00 3.38 -1.02 -0.34 115.31 118.73 1ux1 h LEU 11 Ca 0.17 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1ux1 h LEU 11 Cb 0.44 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ux1 h LEU 11 CO 0.02 0.87 -0.43 0.11 0.09 0.00 0.00 178.44 179.10 1ux1 h LYS 12 N 0.69 0.67 -0.60 1.13 1.57 -1.11 -2.98 116.57 115.94 1ux1 h LYS 12 Ca 0.12 -0.43 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1ux1 h LYS 12 Cb 0.56 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1ux1 h LYS 12 CO 0.03 1.05 0.39 0.00 -0.57 0.00 0.00 179.45 180.36 1ux1 h ALA 13 N 0.61 1.69 -0.44 3.86 0.00 -0.60 -1.85 119.26 122.53 1ux1 h ALA 13 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ux1 h ALA 13 Cb 1.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ux1 h ALA 13 CO 0.10 0.25 0.30 -0.09 0.00 0.00 0.00 179.25 179.80 1ux1 h ARG 14 N 0.70 0.39 0.00 0.00 2.43 -0.90 -1.21 114.38 115.79 1ux1 h ARG 14 Ca 0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1ux1 h ARG 14 Cb 0.08 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ux1 h ARG 14 CO -0.06 0.26 0.00 -0.44 -1.51 0.00 0.00 179.97 178.21 1ux1 h ASP 15 N 0.40 0.00 0.39 -3.80 3.32 -1.36 -2.25 116.42 113.13 1ux1 h ASP 15 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ux1 h ASP 15 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ux1 h ASP 15 CO -0.05 0.00 -0.23 0.23 -1.72 0.00 0.00 179.24 177.47 1ux1 n MET 16 N -2.31 0.56 -1.63 3.56 2.81 -0.46 -4.94 117.12 114.70 1ux1 n MET 16 Ca 0.02 -0.27 -0.44 0.00 -1.81 0.00 0.00 57.70 55.20 1ux1 n MET 16 Cb 0.22 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.30 -3.75 3.04 0.00 -0.85 -4.94 120.51 113.33 1ux1 n ALA 17 Ca 0.11 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.61 1ux1 n ALA 17 Cb 0.32 -2.12 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 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 -0.85 3.60 -0.47 0.00 5.04 -0.61 -4.93 117.35 119.14 1ux1 s TYR 18 Ca 0.60 -3.02 0.08 0.00 -2.44 0.00 0.00 57.07 52.30 1ux1 s TYR 18 Cb -0.67 -3.07 0.38 0.00 0.35 0.00 0.00 41.96 38.94 1ux1 s TYR 18 CO 0.58 -0.73 0.95 0.00 -1.34 0.00 0.00 175.55 175.02 1ux1 n ALA 19 N 2.69 4.13 0.31 3.97 0.00 -1.26 -0.22 120.51 130.12 1ux1 n ALA 19 Ca 0.15 -4.14 0.19 0.00 0.00 0.00 0.00 53.44 49.64 1ux1 n ALA 19 Cb 0.36 -0.74 0.92 0.00 0.00 0.00 0.00 19.45 19.99 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 2.87 0.00 0.06 0.00 0.13 -1.94 0.15 132.00 133.27 1ux1 h PRO 20 Ca 0.14 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.02 1ux1 h PRO 20 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1ux1 h PRO 20 CO 0.73 0.00 -1.33 1.88 -0.23 0.00 0.00 178.00 179.04 1ux1 h TYR 21 N 0.00 0.24 0.00 1.56 -1.99 -1.95 -3.39 116.97 111.44 1ux1 h TYR 21 Ca 0.00 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 1ux1 h TYR 21 Cb 0.25 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.97 1ux1 h TYR 21 CO 0.00 1.52 -1.27 -1.13 -0.00 0.00 0.00 178.16 177.29 1ux1 n SER 22 N -4.11 0.65 -1.07 3.88 3.41 -1.22 -4.95 113.62 110.22 1ux1 n SER 22 Ca -0.28 0.25 -0.14 0.00 -0.26 0.00 0.00 58.87 58.45 1ux1 n SER 22 Cb 0.80 0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 65.49 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 -2.59 -1.31 -3.77 4.33 4.01 0.51 -4.94 118.16 114.39 1ux1 n LYS 23 Ca -0.02 0.98 -0.37 0.00 -0.51 0.00 0.00 58.31 58.39 1ux1 n LYS 23 Cb 0.57 -5.22 -0.12 0.00 -0.51 0.00 0.00 35.03 29.76 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 -2.35 3.47 0.00 2.13 5.36 -1.26 -5.07 117.98 120.26 1ux1 s PHE 24 Ca 0.00 -2.13 -0.19 0.00 -0.96 0.00 0.00 56.93 53.65 1ux1 s PHE 24 Cb 0.00 -2.93 -0.06 0.00 -0.34 0.00 0.00 43.02 39.69 1ux1 s PHE 24 CO 0.00 -0.91 0.56 -0.65 -1.46 0.00 0.00 175.22 172.76 1ux1 s GLN 25 N 1.22 4.25 -0.01 10.12 -0.21 -1.26 -4.88 119.66 128.89 1ux1 s GLN 25 Ca 0.04 0.68 0.04 0.00 0.02 0.00 0.00 55.36 56.14 1ux1 s GLN 25 Cb -0.22 -3.31 -0.01 0.00 1.00 0.00 0.00 33.01 30.47 1ux1 s GLN 25 CO -0.02 0.45 -0.12 0.08 -2.12 0.00 0.00 175.29 173.55 1ux1 s VAL 26 N -0.43 0.98 0.16 1.09 1.01 -1.26 -4.27 120.40 117.69 1ux1 s VAL 26 Ca 0.29 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1ux1 s VAL 26 Cb -0.18 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1ux1 s VAL 26 CO 0.17 0.28 -0.18 -0.83 0.00 0.00 0.00 175.10 174.54 1ux1 s GLY 27 N -0.20 1.36 -0.03 4.51 0.00 -0.26 -2.72 107.32 109.98 1ux1 s GLY 27 Ca 0.03 -1.47 -0.14 0.00 0.00 0.00 0.00 44.72 43.14 1ux1 s GLY 27 CO -0.00 -1.53 0.29 0.00 0.00 0.00 0.00 173.10 171.86 1ux1 s ALA 28 N -2.09 -0.74 -0.06 3.20 0.00 0.31 -1.11 121.76 121.27 1ux1 s ALA 28 Ca 0.15 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 1ux1 s ALA 28 Cb -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1ux1 s ALA 28 CO 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 175.76 175.58 1ux1 s ALA 29 N -1.11 0.64 -0.16 0.00 0.00 0.04 0.34 121.76 121.50 1ux1 s ALA 29 Ca -0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1ux1 s ALA 29 Cb -0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1ux1 s ALA 29 CO 0.03 -0.35 -0.01 -1.17 0.00 0.00 0.00 175.76 174.27 1ux1 s LEU 30 N 1.71 3.44 -0.24 0.00 2.96 0.70 -0.62 118.68 126.62 1ux1 s LEU 30 Ca 0.01 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1ux1 s LEU 30 Cb -0.13 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1ux1 s LEU 30 CO -0.04 0.17 0.05 -0.22 -1.32 0.00 0.00 176.35 175.00 1ux1 s LEU 31 N 0.35 3.37 0.81 -0.68 2.96 0.05 -0.40 118.68 125.14 1ux1 s LEU 31 Ca -0.02 -0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 53.55 1ux1 s LEU 31 Cb -0.14 -1.90 0.08 0.00 0.50 0.00 0.00 46.19 44.74 1ux1 s LEU 31 CO 0.02 -0.02 1.16 0.42 -1.32 0.00 0.00 176.35 176.61 1ux1 s THR 32 N 1.53 2.23 0.42 3.68 -4.23 0.30 -1.39 115.64 118.18 1ux1 s THR 32 Ca 0.06 0.07 0.11 0.00 -1.18 0.00 0.00 61.69 60.76 1ux1 s THR 32 Cb -0.15 -3.03 0.19 0.00 1.34 0.00 0.00 72.50 70.85 1ux1 s THR 32 CO 0.03 -0.10 1.98 0.11 -0.54 0.00 0.00 174.62 176.10 1ux1 h LYS 33 N -1.07 0.18 -0.08 3.99 1.79 -1.64 -1.77 116.57 117.96 1ux1 h LYS 33 Ca -0.47 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1ux1 h LYS 33 Cb 1.32 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1ux1 h LYS 33 CO 0.65 0.28 0.00 -0.25 -1.08 0.00 0.00 179.45 179.05 1ux1 n ASP 34 N -4.34 0.48 0.00 0.86 8.00 -1.26 -4.89 116.55 115.41 1ux1 n ASP 34 Ca -0.01 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.64 1ux1 n ASP 34 Cb 0.22 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.72 0.71 3.82 0.44 0.00 -0.67 -5.05 105.19 105.16 1ux1 n GLY 35 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 4.19 -0.10 1.61 2.20 -1.26 -4.80 119.74 121.35 1ux1 s LYS 36 Ca 0.00 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1ux1 s LYS 36 Cb 0.00 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1ux1 s LYS 36 CO 0.00 0.39 -0.10 0.08 -0.36 0.00 0.00 175.35 175.36 1ux1 s VAL 37 N -1.55 3.40 -0.15 4.02 1.01 -1.26 -0.54 120.40 125.33 1ux1 s VAL 37 Ca 0.43 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1ux1 s VAL 37 Cb -0.16 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1ux1 s VAL 37 CO 0.20 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.35 1ux1 s TYR 38 N -0.27 2.71 0.23 5.22 1.51 0.46 -4.94 117.35 122.26 1ux1 s TYR 38 Ca 0.03 -1.30 -0.07 0.00 -1.01 0.00 0.00 57.07 54.72 1ux1 s TYR 38 Cb -0.13 -1.85 -0.06 0.00 -0.11 0.00 0.00 41.96 39.81 1ux1 s TYR 38 CO 0.03 -0.60 0.51 1.03 -1.11 0.00 0.00 175.55 175.41 1ux1 s ARG 39 N 0.87 3.71 0.06 -0.62 0.52 -1.26 -0.22 118.95 122.02 1ux1 s ARG 39 Ca -0.05 0.12 -0.06 0.00 -0.52 0.00 0.00 55.73 55.21 1ux1 s ARG 39 Cb -0.15 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.61 1ux1 s ARG 39 CO -0.03 0.32 0.12 0.20 0.02 0.00 0.00 175.30 175.94 1ux1 s GLY 40 N -2.59 0.18 0.15 -3.53 0.00 0.15 -4.23 107.32 97.45 1ux1 s GLY 40 Ca 0.45 -0.65 -0.15 0.00 0.00 0.00 0.00 44.72 44.37 1ux1 s GLY 40 CO 0.24 -0.81 0.40 0.00 0.00 0.00 0.00 173.10 172.93 1ux1 s ASN 42 N -2.86 7.36 -0.23 0.00 4.22 -1.10 -3.45 114.94 118.88 1ux1 s ASN 42 Ca 0.07 1.85 -0.02 0.00 -2.14 0.00 0.00 52.86 52.63 1ux1 s ASN 42 Cb 0.02 -2.58 0.07 0.00 1.28 0.00 0.00 41.25 40.03 1ux1 s ASN 42 CO -0.07 -0.05 0.02 -0.63 -2.04 0.00 0.00 177.10 174.33 1ux1 s ILE 43 N -1.58 0.85 0.72 0.54 1.01 0.06 -1.57 121.20 121.24 1ux1 s ILE 43 Ca 0.49 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 1ux1 s ILE 43 Cb -0.19 -1.35 0.08 0.00 0.01 0.00 0.00 42.46 41.00 1ux1 s ILE 43 CO 0.25 -0.27 1.02 -1.61 0.00 0.00 0.00 174.94 174.32 1ux1 s GLU 44 N 1.69 2.00 -0.02 2.79 2.02 0.70 -1.86 118.70 126.02 1ux1 s GLU 44 Ca -0.00 -0.43 -0.09 0.00 0.02 0.00 0.00 54.97 54.46 1ux1 s GLU 44 Cb -0.18 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 31.88 1ux1 s GLU 44 CO -0.11 -1.34 0.20 1.21 0.02 0.00 0.00 175.26 175.25 1ux1 s ASN 45 N -4.57 -0.08 0.47 -0.19 3.84 -1.26 -4.92 114.94 108.23 1ux1 s ASN 45 Ca 0.62 -0.01 0.18 0.00 0.21 0.00 0.00 52.86 53.85 1ux1 s ASN 45 Cb -0.09 0.28 1.17 0.00 -0.55 0.00 0.00 41.25 42.06 1ux1 s ASN 45 CO 0.45 -0.34 2.01 0.00 -2.79 0.00 0.00 177.10 176.43 1ux1 h ALA 46 N 4.44 2.16 -2.35 1.71 0.00 -2.00 -3.16 119.26 120.05 1ux1 h ALA 46 Ca -0.30 -0.01 -0.74 0.00 0.00 0.00 0.00 54.91 53.86 1ux1 h ALA 46 Cb 1.19 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.72 1ux1 h ALA 46 CO 0.40 -0.28 0.35 0.00 0.00 0.00 0.00 179.25 179.71 1ux1 s ALA 47 N -5.23 3.72 0.28 0.00 0.00 -1.26 -4.97 121.76 114.30 1ux1 s ALA 47 Ca -0.07 -2.94 0.16 0.00 0.00 0.00 0.00 51.96 49.11 1ux1 s ALA 47 Cb 0.19 -3.70 1.01 0.00 0.00 0.00 0.00 23.12 20.62 1ux1 s ALA 47 CO 0.73 -2.53 1.17 0.66 0.00 0.00 0.00 175.76 175.79 1ux1 n TYR 48 N 5.26 0.84 0.28 0.00 0.53 -1.20 -1.86 117.16 121.02 1ux1 n TYR 48 Ca 0.13 0.85 0.05 0.00 -1.02 0.00 0.00 57.90 57.92 1ux1 n TYR 48 Cb 0.47 -1.27 0.25 0.00 -1.03 0.00 0.00 39.34 37.75 1ux1 n TYR 48 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1ux1 n SER 49 N -4.64 0.13 -0.20 7.72 3.41 -1.26 -2.26 113.62 116.52 1ux1 n SER 49 Ca 0.28 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.57 1ux1 n SER 49 Cb 0.97 -0.57 0.51 0.00 -0.26 0.00 0.00 64.21 64.86 1ux1 n SER 49 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ux1 n MET 50 N -1.66 0.84 -1.71 4.33 2.81 -0.77 -4.95 117.12 116.00 1ux1 n MET 50 Ca 0.02 -0.40 -0.43 0.00 -1.81 0.00 0.00 57.70 55.08 1ux1 n MET 50 Cb 0.10 -1.49 -0.03 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 1.13 5.20 0.32 0.00 2.47 -0.78 -4.99 114.94 118.29 1ux1 s ASN 52 Ca 0.76 0.08 -0.04 0.00 0.42 0.00 0.00 52.86 54.09 1ux1 s ASN 52 Cb -0.54 -1.60 -0.05 0.00 -1.45 0.00 0.00 41.25 37.62 1ux1 s ASN 52 CO 0.33 0.31 0.57 -1.00 -3.72 0.00 0.00 177.10 173.60 1ux1 s HIS 53 N -0.48 3.49 0.15 0.43 3.76 -1.26 -0.76 115.29 120.62 1ux1 s HIS 53 Ca 0.08 0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 55.39 1ux1 s HIS 53 Cb -0.12 -2.07 0.05 0.00 1.11 0.00 0.00 32.58 31.55 1ux1 s HIS 53 CO 0.02 0.12 1.66 0.00 -0.85 0.00 0.00 174.74 175.69 1ux1 h ALA 54 N 1.32 0.11 -0.81 -1.40 0.00 -1.83 0.58 119.26 117.23 1ux1 h ALA 54 Ca -0.48 0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.62 1ux1 h ALA 54 Cb 1.20 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 1ux1 h ALA 54 CO 0.65 -0.53 0.48 0.93 0.00 0.00 0.00 179.25 180.77 1ux1 h GLU 55 N -0.09 0.80 -0.26 0.00 3.07 -1.89 -1.77 114.58 114.45 1ux1 h GLU 55 Ca 0.15 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.78 1ux1 h GLU 55 Cb 0.32 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1ux1 h GLU 55 CO -0.35 0.53 -0.56 1.96 -1.40 0.00 0.00 179.01 179.19 1ux1 h GLN 56 N 0.82 0.78 -0.09 2.33 4.20 -1.74 -2.56 115.11 118.85 1ux1 h GLN 56 Ca 0.38 -0.50 0.01 0.00 0.06 0.00 0.00 58.65 58.60 1ux1 h GLN 56 Cb 0.30 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1ux1 h GLN 56 CO -0.22 1.13 -0.00 1.15 -0.67 0.00 0.00 178.83 180.22 1ux1 h THR 57 N 0.60 0.94 -0.43 -0.54 2.02 -0.39 0.20 112.91 115.30 1ux1 h THR 57 Ca 0.01 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1ux1 h THR 57 Cb 1.15 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1ux1 h THR 57 CO 0.12 0.01 0.25 0.00 0.37 0.00 0.00 175.52 176.26 1ux1 h ALA 58 N 1.08 0.54 -0.51 6.16 0.00 -1.34 0.67 119.26 125.85 1ux1 h ALA 58 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ux1 h ALA 58 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ux1 h ALA 58 CO -0.07 -0.08 0.12 -0.07 0.00 0.00 0.00 179.25 179.15 1ux1 h LEU 59 N 0.50 0.78 -0.79 0.00 3.38 -1.16 -2.08 115.31 115.95 1ux1 h LEU 59 Ca 0.17 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1ux1 h LEU 59 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1ux1 h LEU 59 CO -0.08 0.81 -0.35 -0.26 0.09 0.00 0.00 178.44 178.65 1ux1 h PHE 60 N 0.71 0.58 -0.28 1.13 0.05 -0.36 -1.48 116.94 117.30 1ux1 h PHE 60 Ca 0.16 -0.15 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 1ux1 h PHE 60 Cb 0.34 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.15 1ux1 h PHE 60 CO 0.02 0.79 0.08 0.87 -0.18 0.00 0.00 178.31 179.89 1ux1 h LYS 61 N 0.42 0.44 0.57 1.51 1.57 -0.74 -1.36 116.57 118.97 1ux1 h LYS 61 Ca 0.05 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1ux1 h LYS 61 Cb 0.82 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.07 1ux1 h LYS 61 CO 0.07 0.51 -0.27 0.00 -0.57 0.00 0.00 179.45 179.18 1ux1 h ALA 62 N 0.91 -0.76 -0.94 3.86 0.00 -1.18 -2.91 119.26 118.24 1ux1 h ALA 62 Ca 0.09 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ux1 h ALA 62 Cb 0.26 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1ux1 h ALA 62 CO -0.00 -0.93 0.61 0.28 0.00 0.00 0.00 179.25 179.21 1ux1 h VAL 63 N -0.77 1.13 0.00 0.00 2.07 -1.09 -0.68 116.25 116.90 1ux1 h VAL 63 Ca -0.08 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ux1 h VAL 63 Cb 0.59 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1ux1 h VAL 63 CO 0.13 0.21 0.00 -1.54 0.02 0.00 0.00 177.57 176.39 1ux1 n SER 64 N -4.51 0.00 -0.54 0.57 3.41 -0.52 -1.26 113.62 110.77 1ux1 n SER 64 Ca 0.13 0.21 0.09 0.00 -0.26 0.00 0.00 58.87 59.04 1ux1 n SER 64 Cb 0.12 -0.36 0.03 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.36 1.56 -0.02 4.33 -0.58 -0.33 -4.97 120.64 119.27 1ux1 n GLU 65 Ca 0.06 -1.18 0.00 0.00 -0.42 0.00 0.00 57.16 55.62 1ux1 n GLU 65 Cb 0.14 -1.32 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 1.10 0.36 3.65 0.62 0.00 -0.39 -5.06 105.19 105.47 1ux1 n GLY 66 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.67 6.52 0.00 1.61 -0.00 -0.79 -4.91 116.67 116.42 1ux1 s ASP 67 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 52.55 53.18 1ux1 s ASP 67 Cb 0.00 -2.29 0.00 0.00 -0.00 0.00 0.00 42.92 40.63 1ux1 s ASP 67 CO 0.00 -0.20 0.29 0.35 -0.00 0.00 0.00 175.17 175.60 1ux1 n THR 68 N 4.70 0.06 -3.91 -1.27 -2.24 -1.26 -2.79 114.28 107.57 1ux1 n THR 68 Ca -0.05 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 1ux1 n THR 68 Cb 0.50 1.46 -0.14 0.00 -2.10 0.00 0.00 70.33 70.05 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 3.14 0.29 -0.78 0.41 -1.26 -4.93 118.70 115.51 1ux1 s GLU 69 Ca 0.00 -0.79 0.09 0.00 -0.41 0.00 0.00 54.97 53.87 1ux1 s GLU 69 Cb 0.00 -3.04 -0.06 0.00 -1.78 0.00 0.00 34.13 29.26 1ux1 s GLU 69 CO 0.00 -0.30 -0.13 -0.06 -0.49 0.00 0.00 175.26 174.28 1ux1 s PHE 70 N 1.42 2.17 0.00 1.61 0.40 -1.26 -1.83 117.98 120.49 1ux1 s PHE 70 Ca 0.03 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1ux1 s PHE 70 Cb -0.15 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.27 1ux1 s PHE 70 CO -0.03 0.53 0.00 0.00 0.70 0.00 0.00 175.22 176.42 1ux1 n GLN 71 N -0.63 2.96 -3.68 0.44 10.64 -0.48 -4.70 117.38 121.93 1ux1 n GLN 71 Ca -0.06 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.97 1ux1 n GLN 71 Cb 0.62 -0.89 -0.08 0.00 -0.86 0.00 0.00 30.24 29.03 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 -1.76 0.73 -0.05 2.61 0.00 -1.20 -1.38 119.30 118.26 1ux1 s MET 72 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 55.69 55.91 1ux1 s MET 72 Cb 0.00 0.34 0.02 0.00 0.00 0.00 0.00 34.83 35.19 1ux1 s MET 72 CO 0.00 -0.18 -0.06 -1.17 0.00 0.00 0.00 175.02 173.61 1ux1 s LEU 73 N -0.76 1.35 -0.05 4.11 2.96 0.01 -0.77 118.68 125.53 1ux1 s LEU 73 Ca -0.08 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1ux1 s LEU 73 Cb -0.03 -0.52 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 1ux1 s LEU 73 CO 0.04 -0.05 -0.13 0.00 -1.32 0.00 0.00 176.35 174.90 1ux1 s ALA 74 N 0.93 2.70 -0.03 5.97 0.00 0.21 -0.11 121.76 131.43 1ux1 s ALA 74 Ca -0.11 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1ux1 s ALA 74 Cb -0.14 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 21.98 1ux1 s ALA 74 CO 0.00 0.55 -0.07 0.08 0.00 0.00 0.00 175.76 176.32 1ux1 s VAL 75 N -0.71 0.67 0.01 0.00 1.01 -0.03 -0.78 120.40 120.57 1ux1 s VAL 75 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1ux1 s VAL 75 Cb -0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1ux1 s VAL 75 CO 0.01 0.23 -0.02 0.00 0.00 0.00 0.00 175.10 175.32 1ux1 s ALA 76 N 0.36 0.10 0.20 5.51 0.00 -0.26 -1.50 121.76 126.18 1ux1 s ALA 76 Ca -0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 1ux1 s ALA 76 Cb -0.10 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1ux1 s ALA 76 CO 0.00 -0.03 0.44 0.00 0.00 0.00 0.00 175.76 176.18 1ux1 s ALA 77 N -0.43 -0.46 -1.37 0.00 0.00 -1.22 -1.10 121.76 117.19 1ux1 s ALA 77 Ca -0.04 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 1ux1 s ALA 77 Cb -0.03 0.92 0.10 0.00 0.00 0.00 0.00 23.12 24.11 1ux1 s ALA 77 CO -0.00 -0.78 2.24 -3.47 0.00 0.00 0.00 175.76 173.74 1ux1 n ASP 78 N -0.32 6.33 -4.69 0.00 2.03 -1.26 -3.44 116.55 115.20 1ux1 n ASP 78 Ca -0.06 -3.01 -0.24 0.00 0.52 0.00 0.00 54.79 52.00 1ux1 n ASP 78 Cb 0.62 -1.48 -0.07 0.00 -0.72 0.00 0.00 41.12 39.48 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 0.56 3.73 0.27 5.18 -4.23 -1.26 -4.99 115.64 114.90 1ux1 s THR 79 Ca 0.49 -1.68 -0.03 0.00 -1.18 0.00 0.00 61.69 59.30 1ux1 s THR 79 Cb 0.14 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.29 1ux1 s THR 79 CO -0.05 -0.30 1.90 -0.65 -0.54 0.00 0.00 174.62 174.98 1ux1 h PRO 80 N 2.02 1.17 0.00 3.99 0.11 -2.00 -3.42 132.00 133.86 1ux1 h PRO 80 Ca -0.46 -0.07 -0.45 0.00 0.11 0.00 0.00 66.00 65.13 1ux1 h PRO 80 Cb 1.23 -0.26 -0.07 0.00 0.11 0.00 0.00 31.00 32.01 1ux1 h PRO 80 CO 0.60 0.77 -0.30 0.41 -0.21 0.00 0.00 178.00 179.27 1ux1 n GLY 81 N -1.37 3.54 3.65 -0.55 0.00 -1.26 -4.99 105.19 104.21 1ux1 n GLY 81 Ca 0.14 -2.31 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.00 1.67 -2.20 1.61 -0.02 -1.26 -4.55 135.00 129.25 1ux1 n PRO 82 Ca -0.12 0.59 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 1ux1 n PRO 82 Cb 0.45 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.16 2.94 -0.26 -1.45 0.11 -0.89 -4.84 120.40 114.84 1ux1 s VAL 83 Ca 0.60 0.81 -0.09 0.00 -2.93 0.00 0.00 61.98 60.37 1ux1 s VAL 83 Cb -0.58 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 30.76 1ux1 s VAL 83 CO 0.59 0.10 0.13 -0.55 -3.33 0.00 0.00 175.10 172.04 1ux1 s SER 84 N -0.96 5.57 0.42 3.54 0.15 -1.26 -4.62 113.70 116.54 1ux1 s SER 84 Ca 0.56 -0.11 -0.26 0.00 0.70 0.00 0.00 55.95 56.85 1ux1 s SER 84 Cb -0.34 -2.02 -0.09 0.00 -1.71 0.00 0.00 66.02 61.86 1ux1 s SER 84 CO 0.43 -0.04 1.42 -2.84 1.20 0.00 0.00 173.24 173.41 1ux1 s PRO 85 N 1.66 3.88 0.83 5.44 0.02 -1.26 -4.99 135.00 140.58 1ux1 s PRO 85 Ca 0.07 2.40 -0.12 0.00 0.02 0.00 0.00 61.00 63.37 1ux1 s PRO 85 Cb -0.15 -2.78 0.09 0.00 0.02 0.00 0.00 34.50 31.68 1ux1 s PRO 85 CO 0.07 -0.65 1.11 0.00 -0.33 0.00 0.00 177.00 177.20 1ux1 h GLY 87 N -1.20 1.37 1.04 0.00 0.00 -1.99 -1.24 103.07 101.04 1ux1 h GLY 87 Ca -0.48 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.35 1ux1 h GLY 87 CO 0.60 0.35 0.20 0.00 0.00 0.00 0.00 176.54 177.70 1ux1 h ALA 88 N 1.48 0.91 -0.43 3.60 0.00 -1.99 -1.32 119.26 121.50 1ux1 h ALA 88 Ca 0.39 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1ux1 h ALA 88 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1ux1 h ALA 88 CO -0.14 0.60 -0.23 0.00 0.00 0.00 0.00 179.25 179.49 1ux1 h ARG 90 N 0.77 0.78 -0.47 0.00 3.08 -0.88 -0.05 114.38 117.61 1ux1 h ARG 90 Ca 0.10 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1ux1 h ARG 90 Cb 0.78 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1ux1 h ARG 90 CO 0.06 0.63 0.01 0.37 -1.07 0.00 0.00 179.97 179.97 1ux1 h GLN 91 N 0.78 0.83 -0.27 0.04 5.75 -0.93 -0.48 115.11 120.83 1ux1 h GLN 91 Ca 0.19 -0.26 -0.12 0.00 -0.15 0.00 0.00 58.65 58.31 1ux1 h GLN 91 Cb 0.12 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1ux1 h GLN 91 CO -0.02 0.87 -0.34 0.28 -2.65 0.00 0.00 178.83 176.97 1ux1 h VAL 92 N 0.68 1.29 -0.51 2.39 2.07 -0.92 -2.44 116.25 118.80 1ux1 h VAL 92 Ca 0.13 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 1ux1 h VAL 92 Cb 0.49 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1ux1 h VAL 92 CO 0.02 0.46 0.12 0.40 0.02 0.00 0.00 177.57 178.59 1ux1 h ILE 93 N 0.49 1.24 0.00 4.57 2.04 -0.73 -0.76 117.51 124.36 1ux1 h ILE 93 Ca 0.05 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 1ux1 h ILE 93 Cb 0.82 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1ux1 h ILE 93 CO 0.07 0.31 -0.22 0.77 0.00 0.00 0.00 178.15 179.09 1ux1 h SER 94 N 0.72 0.00 0.22 1.72 4.64 -0.89 0.14 113.55 120.08 1ux1 h SER 94 Ca 0.16 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.13 1ux1 h SER 94 Cb 0.35 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1ux1 h SER 94 CO 0.00 0.22 -1.65 -0.08 -0.87 0.00 0.00 176.83 174.45 1ux1 h GLU 95 N 0.00 0.46 0.00 4.77 4.57 -1.11 -3.38 114.58 119.89 1ux1 h GLU 95 Ca -0.00 -0.78 0.00 0.00 -1.18 0.00 0.00 59.36 57.40 1ux1 h GLU 95 Cb 0.45 0.29 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1ux1 h GLU 95 CO 0.03 1.37 -1.02 1.28 -1.18 0.00 0.00 179.01 179.49 1ux1 n LEU 96 N -3.65 0.61 -4.57 1.64 4.77 -0.32 -4.93 117.00 110.56 1ux1 n LEU 96 Ca -0.22 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.46 1ux1 n LEU 96 Cb 1.09 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.97 1ux1 n LEU 96 CO 0.55 0.03 -0.42 0.00 -1.33 0.00 0.00 177.39 176.22 1ux1 s THR 98 N -1.10 3.61 -1.08 0.00 -4.23 -1.26 -4.70 115.64 106.87 1ux1 s THR 98 Ca 0.19 0.71 0.01 0.00 -1.18 0.00 0.00 61.69 61.41 1ux1 s THR 98 Cb -0.11 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.48 1ux1 s THR 98 CO 0.10 -0.50 0.98 0.29 -0.54 0.00 0.00 174.62 174.95 1ux1 n LYS 99 N -2.41 0.00 0.02 3.99 4.76 -1.26 -2.02 118.16 121.24 1ux1 n LYS 99 Ca 0.09 0.45 0.11 0.00 -2.87 0.00 0.00 58.31 56.09 1ux1 n LYS 99 Cb 0.53 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.17 1ux1 n LYS 99 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ux1 n ASP 100 N -1.46 0.53 -4.60 4.39 5.75 -1.26 -4.15 116.55 115.75 1ux1 n ASP 100 Ca 0.00 -0.21 -0.47 0.00 -0.01 0.00 0.00 54.79 54.11 1ux1 n ASP 100 Cb 0.01 1.11 -0.03 0.00 -1.03 0.00 0.00 41.12 41.17 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 -2.05 1.23 -3.19 2.12 0.31 -0.86 -4.92 118.33 110.97 1ux1 n VAL 101 Ca 0.00 -0.31 -0.39 0.00 -0.01 0.00 0.00 64.34 63.64 1ux1 n VAL 101 Cb 0.47 -1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 32.31 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 -0.42 5.09 -0.32 2.52 1.01 -0.48 -4.14 121.20 124.46 1ux1 s ILE 102 Ca 0.68 1.11 -0.10 0.00 0.00 0.00 0.00 60.65 62.34 1ux1 s ILE 102 Cb -0.76 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 37.81 1ux1 s ILE 102 CO 0.54 0.21 0.16 -0.69 0.00 0.00 0.00 174.94 175.16 1ux1 s VAL 103 N 1.30 4.54 -0.35 2.92 1.01 -0.07 -0.81 120.40 128.95 1ux1 s VAL 103 Ca 0.28 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 1ux1 s VAL 103 Cb -0.16 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ux1 s VAL 103 CO 0.11 -0.00 0.23 -0.69 0.00 0.00 0.00 175.10 174.75 1ux1 s VAL 104 N 1.59 5.04 -0.13 2.92 1.01 0.85 -1.22 120.40 130.45 1ux1 s VAL 104 Ca 0.04 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1ux1 s VAL 104 Cb -0.18 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1ux1 s VAL 104 CO 0.06 -0.07 0.05 -0.76 0.00 0.00 0.00 175.10 174.37 1ux1 s LEU 105 N 1.67 3.79 0.00 3.92 1.43 0.80 -0.85 118.68 129.44 1ux1 s LEU 105 Ca 0.05 0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.26 1ux1 s LEU 105 Cb -0.18 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1ux1 s LEU 105 CO 0.09 0.30 0.48 1.07 0.23 0.00 0.00 176.35 178.52 1ux1 n THR 106 N 2.71 0.00 -2.32 5.49 5.66 -0.56 -0.71 114.28 124.55 1ux1 n THR 106 Ca -0.18 -1.15 0.00 0.00 -3.05 0.00 0.00 64.05 59.67 1ux1 n THR 106 Cb 0.53 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.14 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 -1.60 0.21 -1.72 1.09 0.23 -1.22 -2.10 115.26 110.16 1ux1 n ASN 107 Ca -0.03 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.10 1ux1 n ASN 107 Cb 0.46 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.53 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 5.14 -0.85 -4.53 4.77 -1.22 -4.39 117.00 115.92 1ux1 n LEU 108 Ca 0.00 -2.60 0.03 0.00 -0.03 0.00 0.00 56.01 53.41 1ux1 n LEU 108 Cb 0.00 -0.63 0.05 0.00 -2.33 0.00 0.00 43.42 40.50 1ux1 n LEU 108 CO 0.00 0.68 0.22 0.00 -1.33 0.00 0.00 177.39 176.96 1ux1 n GLN 109 N 0.80 0.33 -0.65 3.23 6.02 -1.26 -5.02 117.38 120.83 1ux1 n GLN 109 Ca 0.26 -1.83 0.00 0.00 -0.01 0.00 0.00 57.00 55.41 1ux1 n GLN 109 Cb 1.04 -0.55 0.00 0.00 1.02 0.00 0.00 30.24 31.75 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 -0.10 1.26 3.71 1.08 0.00 -1.26 -5.02 105.19 104.85 1ux1 n GLY 110 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.17 4.46 -0.04 1.61 1.11 -1.26 -4.97 119.66 120.39 1ux1 s GLN 111 Ca 0.00 1.64 0.03 0.00 0.01 0.00 0.00 55.36 57.04 1ux1 s GLN 111 Cb 0.00 -3.42 0.00 0.00 -1.01 0.00 0.00 33.01 28.58 1ux1 s GLN 111 CO 0.00 -0.23 -0.13 0.42 0.01 0.00 0.00 175.29 175.36 1ux1 s ILE 112 N 1.26 1.11 -0.04 1.08 1.01 -1.26 -3.38 121.20 120.98 1ux1 s ILE 112 Ca 0.56 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.70 1ux1 s ILE 112 Cb -0.26 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.25 1ux1 s ILE 112 CO 0.27 0.33 -0.08 -0.75 0.00 0.00 0.00 174.94 174.71 1ux1 s LYS 113 N 0.21 1.12 0.07 2.79 2.20 0.11 -5.00 119.74 121.22 1ux1 s LYS 113 Ca -0.05 -0.26 0.09 0.00 -0.36 0.00 0.00 55.97 55.38 1ux1 s LYS 113 Cb -0.11 -1.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 1ux1 s LYS 113 CO 0.02 0.02 -0.22 -2.00 -0.36 0.00 0.00 175.35 172.80 1ux1 s GLU 114 N 0.58 1.84 0.16 4.03 2.12 -1.26 -0.14 118.70 126.03 1ux1 s GLU 114 Ca -0.10 -1.11 -0.24 0.00 0.36 0.00 0.00 54.97 53.88 1ux1 s GLU 114 Cb -0.13 -2.06 0.06 0.00 0.26 0.00 0.00 34.13 32.26 1ux1 s GLU 114 CO 0.01 0.51 0.86 0.00 -0.54 0.00 0.00 175.26 176.10 1ux1 s MET 115 N -1.56 1.28 0.41 4.30 0.23 -0.36 -5.00 119.30 118.60 1ux1 s MET 115 Ca 0.14 -0.66 -0.01 0.00 -1.03 0.00 0.00 55.69 54.13 1ux1 s MET 115 Cb -0.10 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.64 1ux1 s MET 115 CO 0.05 -0.58 0.64 0.95 -2.03 0.00 0.00 175.02 174.04 1ux1 s THR 116 N -3.45 4.69 0.20 3.16 -4.23 -1.26 -0.89 115.64 113.85 1ux1 s THR 116 Ca 0.10 -0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.15 1ux1 s THR 116 Cb -0.02 -3.73 0.13 0.00 1.34 0.00 0.00 72.50 70.21 1ux1 s THR 116 CO 0.00 -0.54 1.86 0.58 -0.54 0.00 0.00 174.62 175.98 1ux1 h VAL 117 N 0.52 1.14 -0.20 2.29 2.07 -1.72 0.13 116.25 120.49 1ux1 h VAL 117 Ca -0.48 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1ux1 h VAL 117 Cb 1.23 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1ux1 h VAL 117 CO 0.60 0.16 0.11 -0.08 0.02 0.00 0.00 177.57 178.38 1ux1 h GLU 118 N 0.89 0.22 0.00 1.57 4.57 -1.82 0.30 114.58 120.31 1ux1 h GLU 118 Ca 0.26 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1ux1 h GLU 118 Cb -0.06 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1ux1 h GLU 118 CO -0.07 0.15 0.00 1.05 -1.18 0.00 0.00 179.01 178.95 1ux1 h GLU 119 N 0.23 0.00 -0.20 1.92 4.11 -1.92 -2.01 114.58 116.72 1ux1 h GLU 119 Ca 0.08 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.37 1ux1 h GLU 119 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ux1 h GLU 119 CO -0.04 0.00 -0.41 1.25 0.07 0.00 0.00 179.01 179.88 1ux1 h LEU 120 N 0.00 0.71 -6.58 3.06 5.85 0.20 -3.41 115.31 115.15 1ux1 h LEU 120 Ca 0.00 -0.55 -0.57 0.00 0.84 0.00 0.00 57.88 57.60 1ux1 h LEU 120 Cb 0.77 -0.20 -0.39 0.00 0.37 0.00 0.00 40.66 41.20 1ux1 h LEU 120 CO 0.00 1.13 -0.84 -0.22 -0.34 0.00 0.00 178.44 178.17 1ux1 s LEU 121 N -8.77 0.91 -0.17 2.25 2.96 0.95 -5.04 118.68 111.76 1ux1 s LEU 121 Ca -0.12 -2.13 -0.38 0.00 -0.22 0.00 0.00 54.13 51.27 1ux1 s LEU 121 Cb 0.07 -0.35 -0.15 0.00 0.50 0.00 0.00 46.19 46.26 1ux1 s LEU 121 CO 0.83 -0.31 1.72 -2.65 -1.32 0.00 0.00 176.35 174.62 1ux1 n PRO 122 N 4.09 1.42 -4.17 0.98 -0.02 -0.78 -2.75 135.00 133.77 1ux1 n PRO 122 Ca 0.11 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 1ux1 n PRO 122 Cb 0.37 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 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 4.01 -0.17 3.56 -1.23 0.00 -1.26 -4.82 105.19 105.28 1ux1 n GLY 123 Ca 0.24 0.16 -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 -4.50 -0.29 -1.77 4.61 0.00 -1.11 -4.93 120.51 112.52 1ux1 n ALA 124 Ca -0.32 0.10 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 1ux1 n ALA 124 Cb 0.69 -2.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 2.93 0.32 0.00 5.36 -1.26 -5.01 117.98 118.87 1ux1 s PHE 125 Ca 0.68 1.39 -0.02 0.00 -0.96 0.00 0.00 56.93 58.02 1ux1 s PHE 125 Cb -0.50 -3.72 -0.01 0.00 -0.34 0.00 0.00 43.02 38.46 1ux1 s PHE 125 CO 0.54 -2.05 0.41 -1.54 -1.46 0.00 0.00 175.22 171.12 1ux1 s SER 126 N -0.51 0.88 0.60 6.13 1.04 -1.26 -4.95 113.70 115.63 1ux1 s SER 126 Ca 0.51 -1.47 0.36 0.00 0.48 0.00 0.00 55.95 55.83 1ux1 s SER 126 Cb -0.40 0.61 1.91 0.00 0.10 0.00 0.00 66.02 68.25 1ux1 s SER 126 CO 0.53 -1.21 2.22 0.77 0.98 0.00 0.00 173.24 176.54 1ux1 h SER 127 N 2.17 0.00 -0.42 7.02 4.64 -1.98 -2.04 113.55 122.95 1ux1 h SER 127 Ca -0.28 0.00 -0.03 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 0.39 0.03 0.18 -0.33 -0.87 0.00 0.00 176.83 176.23 1ux1 h GLU 128 N 0.00 0.68 0.00 4.77 3.07 -1.99 -2.30 114.58 118.82 1ux1 h GLU 128 Ca -0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1ux1 h GLU 128 Cb 0.16 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1ux1 h GLU 128 CO 0.00 0.57 0.00 -0.25 -1.40 0.00 0.00 179.01 177.93 1ux1 n ASP 129 N -4.35 0.00 -0.49 1.42 8.00 -0.76 -5.28 116.55 115.09 1ux1 n ASP 129 Ca 0.04 0.18 0.14 0.00 0.71 0.00 0.00 54.79 55.86 1ux1 n ASP 129 Cb 0.16 -0.34 0.52 0.00 -0.02 0.00 0.00 41.12 41.44 1ux1 n ASP 129 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99