#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ux0 s ASN 2 N 0.00 2.04 0.33 6.12 2.20 -1.26 -4.80 114.94 119.57 1ux0 s ASN 2 Ca 0.00 0.29 0.09 0.00 -0.94 0.00 0.00 52.86 52.30 1ux0 s ASN 2 Cb 0.00 -0.32 0.56 0.00 -2.00 0.00 0.00 41.25 39.50 1ux0 s ASN 2 CO 0.00 -3.40 1.76 0.08 -2.94 0.00 0.00 177.10 172.59 1ux0 h ARG 3 N -2.10 0.15 -0.50 3.55 0.11 -2.04 -1.85 114.38 111.69 1ux0 h ARG 3 Ca -0.44 -0.06 -0.08 0.00 0.10 0.00 0.00 59.98 59.50 1ux0 h ARG 3 Cb 1.24 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 1ux0 h ARG 3 CO 0.31 0.51 0.00 0.37 0.10 0.00 0.00 179.97 181.27 1ux0 h GLN 4 N 0.13 0.84 -0.26 0.08 -0.00 -1.99 0.40 115.11 114.31 1ux0 h GLN 4 Ca 0.01 -0.23 -0.17 0.00 -0.00 0.00 0.00 58.65 58.26 1ux0 h GLN 4 Cb 0.74 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 28.12 1ux0 h GLN 4 CO 0.06 0.84 -0.53 0.93 0.00 0.00 0.00 178.83 180.13 1ux0 h GLU 5 N 0.79 0.77 0.00 1.69 5.08 -1.85 -2.40 114.58 118.66 1ux0 h GLU 5 Ca 0.15 -0.47 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 1ux0 h GLU 5 Cb 0.47 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1ux0 h GLU 5 CO 0.02 1.10 -0.40 1.25 -1.00 0.00 0.00 179.01 179.98 1ux0 h LEU 6 N 0.59 0.00 -0.52 1.33 5.85 -1.00 -2.36 115.31 119.21 1ux0 h LEU 6 Ca 0.02 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 1ux0 h LEU 6 Cb 1.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1ux0 h LEU 6 CO 0.11 0.40 -0.14 0.40 -0.34 0.00 0.00 178.44 178.87 1ux0 h ILE 7 N 0.00 1.27 -0.28 4.05 2.04 -0.68 -1.98 117.51 121.93 1ux0 h ILE 7 Ca -0.00 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.50 1ux0 h ILE 7 Cb 0.71 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1ux0 h ILE 7 CO 0.05 0.46 -0.05 0.71 0.00 0.00 0.00 178.15 179.32 1ux0 h THR 8 N 0.88 1.19 -0.35 -0.27 1.35 -0.97 0.11 112.91 114.85 1ux0 h THR 8 Ca 0.13 -0.81 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1ux0 h THR 8 Cb 0.72 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 1ux0 h THR 8 CO 0.05 0.27 0.16 -0.33 -0.25 0.00 0.00 175.52 175.42 1ux0 h GLU 9 N 0.43 0.51 -0.55 4.72 4.39 -1.06 -1.80 114.58 121.22 1ux0 h GLU 9 Ca 0.09 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1ux0 h GLU 9 Cb 0.36 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1ux0 h GLU 9 CO 0.02 0.48 0.10 0.00 -1.16 0.00 0.00 179.01 178.44 1ux0 h ALA 10 N 1.01 1.14 -0.46 3.43 0.00 -0.65 -0.40 119.26 123.32 1ux0 h ALA 10 Ca 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1ux0 h ALA 10 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ux0 h ALA 10 CO -0.01 0.57 0.10 -0.07 0.00 0.00 0.00 179.25 179.84 1ux0 h LEU 11 N 0.83 0.65 0.02 0.00 3.38 -0.66 -1.02 115.31 118.51 1ux0 h LEU 11 Ca 0.17 -0.11 -0.27 0.00 0.09 0.00 0.00 57.88 57.77 1ux0 h LEU 11 Cb 0.35 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.96 1ux0 h LEU 11 CO 0.01 0.65 -1.05 0.11 0.09 0.00 0.00 178.44 178.24 1ux0 h LYS 12 N 0.68 0.67 -0.65 1.13 1.57 -0.93 -3.19 116.57 115.85 1ux0 h LYS 12 Ca 0.15 -0.75 0.04 0.00 -1.87 0.00 0.00 60.65 58.21 1ux0 h LYS 12 Cb 0.27 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1ux0 h LYS 12 CO -0.00 1.33 0.43 0.00 -0.57 0.00 0.00 179.45 180.63 1ux0 h ALA 13 N 0.37 1.65 -0.57 3.86 0.00 -0.78 -1.97 119.26 121.82 1ux0 h ALA 13 Ca -0.14 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ux0 h ALA 13 Cb 1.71 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1ux0 h ALA 13 CO 0.21 0.27 0.38 -0.09 0.00 0.00 0.00 179.25 180.02 1ux0 h ARG 14 N 0.76 0.41 0.00 0.00 2.43 -1.18 -1.61 114.38 115.20 1ux0 h ARG 14 Ca 0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1ux0 h ARG 14 Cb 0.09 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ux0 h ARG 14 CO -0.07 0.27 0.00 -0.25 -1.51 0.00 0.00 179.97 178.41 1ux0 n ASP 15 N -4.47 0.45 -0.06 -3.80 8.00 -0.74 -2.09 116.55 113.84 1ux0 n ASP 15 Ca 0.09 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.33 1ux0 n ASP 15 Cb 0.32 -0.71 0.29 0.00 -0.02 0.00 0.00 41.12 41.00 1ux0 n ASP 15 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1ux0 n MET 16 N -2.00 0.20 -1.66 -1.24 2.81 -0.61 -4.97 117.12 109.65 1ux0 n MET 16 Ca 0.02 -0.11 -0.43 0.00 -1.81 0.00 0.00 57.70 55.37 1ux0 n MET 16 Cb 0.19 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.20 1ux0 n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ux0 n ALA 17 N -1.30 0.72 -3.67 3.04 0.00 -0.89 -4.96 120.51 113.45 1ux0 n ALA 17 Ca 0.07 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.51 1ux0 n ALA 17 Cb 0.34 -2.17 -0.09 0.00 0.00 0.00 0.00 19.45 17.53 1ux0 n ALA 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ux0 s TYR 18 N -1.05 3.48 -0.40 0.00 5.04 -0.37 -4.95 117.35 119.11 1ux0 s TYR 18 Ca 0.57 -2.50 0.10 0.00 -2.44 0.00 0.00 57.07 52.81 1ux0 s TYR 18 Cb -0.62 -3.30 0.32 0.00 0.35 0.00 0.00 41.96 38.71 1ux0 s TYR 18 CO 0.61 -0.90 0.70 0.00 -1.34 0.00 0.00 175.55 174.63 1ux0 n ALA 19 N 3.88 2.35 0.37 3.97 0.00 -1.26 0.07 120.51 129.89 1ux0 n ALA 19 Ca 0.05 -3.53 0.14 0.00 0.00 0.00 0.00 53.44 50.09 1ux0 n ALA 19 Cb 0.40 -0.89 0.53 0.00 0.00 0.00 0.00 19.45 19.49 1ux0 n ALA 19 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ux0 h PRO 20 N 3.25 0.00 0.02 0.00 0.13 -1.95 -0.36 132.00 133.08 1ux0 h PRO 20 Ca 0.10 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.06 1ux0 h PRO 20 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1ux0 h PRO 20 CO 0.52 0.00 -0.89 1.88 -0.23 0.00 0.00 178.00 179.28 1ux0 h TYR 21 N 0.00 0.07 0.00 1.56 -1.99 -1.95 -3.39 116.97 111.27 1ux0 h TYR 21 Ca 0.00 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.63 1ux0 h TYR 21 Cb 0.48 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1ux0 h TYR 21 CO 0.00 1.35 -1.16 -1.13 -0.00 0.00 0.00 178.16 177.22 1ux0 n SER 22 N -4.41 0.83 -1.58 3.88 3.41 -1.25 -4.93 113.62 109.57 1ux0 n SER 22 Ca -0.24 0.33 -0.19 0.00 -0.26 0.00 0.00 58.87 58.51 1ux0 n SER 22 Cb 0.65 0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 64.93 1ux0 n SER 22 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ux0 n LYS 23 N -2.73 -1.37 -3.74 4.33 4.01 -0.15 -4.94 118.16 113.57 1ux0 n LYS 23 Ca -0.03 1.15 -0.37 0.00 -0.51 0.00 0.00 58.31 58.55 1ux0 n LYS 23 Cb 0.64 -5.50 -0.11 0.00 -0.51 0.00 0.00 35.03 29.55 1ux0 n LYS 23 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1ux0 s PHE 24 N -2.75 3.56 0.06 2.13 5.36 -1.26 -5.07 117.98 120.01 1ux0 s PHE 24 Ca 0.00 -2.35 -0.22 0.00 -0.96 0.00 0.00 56.93 53.40 1ux0 s PHE 24 Cb 0.00 -3.27 -0.06 0.00 -0.34 0.00 0.00 43.02 39.35 1ux0 s PHE 24 CO 0.00 -0.97 0.65 -0.65 -1.46 0.00 0.00 175.22 172.78 1ux0 s GLN 25 N 1.13 4.35 0.02 10.12 -0.21 -1.26 -4.87 119.66 128.94 1ux0 s GLN 25 Ca 0.08 0.86 0.05 0.00 0.02 0.00 0.00 55.36 56.37 1ux0 s GLN 25 Cb -0.23 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.46 1ux0 s GLN 25 CO -0.04 0.48 -0.15 0.08 -2.12 0.00 0.00 175.29 173.54 1ux0 s VAL 26 N -0.63 1.15 0.08 1.09 1.01 -1.26 -4.30 120.40 117.54 1ux0 s VAL 26 Ca 0.32 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1ux0 s VAL 26 Cb -0.20 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1ux0 s VAL 26 CO 0.20 0.12 -0.16 -0.83 0.00 0.00 0.00 175.10 174.44 1ux0 s GLY 27 N -0.87 0.94 0.02 4.51 0.00 0.09 -2.91 107.32 109.10 1ux0 s GLY 27 Ca 0.03 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1ux0 s GLY 27 CO 0.01 -1.06 0.05 0.00 0.00 0.00 0.00 173.10 172.10 1ux0 s ALA 28 N -1.21 -0.07 -0.05 3.20 0.00 -0.06 -0.46 121.76 123.11 1ux0 s ALA 28 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1ux0 s ALA 28 Cb -0.10 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1ux0 s ALA 28 CO 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 175.76 175.62 1ux0 s ALA 29 N -1.62 0.38 -0.20 0.00 0.00 0.00 -0.67 121.76 119.66 1ux0 s ALA 29 Ca -0.14 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1ux0 s ALA 29 Cb -0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1ux0 s ALA 29 CO -0.01 -0.42 0.03 -1.17 0.00 0.00 0.00 175.76 174.19 1ux0 s LEU 30 N 1.95 3.45 -0.21 0.00 2.96 0.17 -0.81 118.68 126.19 1ux0 s LEU 30 Ca 0.03 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1ux0 s LEU 30 Cb -0.12 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1ux0 s LEU 30 CO -0.04 0.09 0.03 -0.22 -1.32 0.00 0.00 176.35 174.90 1ux0 s LEU 31 N 0.84 3.41 0.68 -0.68 2.96 0.38 -0.62 118.68 125.65 1ux0 s LEU 31 Ca 0.02 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1ux0 s LEU 31 Cb -0.14 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.72 1ux0 s LEU 31 CO 0.02 0.06 0.99 0.42 -1.32 0.00 0.00 176.35 176.52 1ux0 s THR 32 N 1.06 2.54 0.24 3.68 -4.23 -0.11 -0.70 115.64 118.13 1ux0 s THR 32 Ca 0.03 -0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.26 1ux0 s THR 32 Cb -0.14 -3.09 0.24 0.00 1.34 0.00 0.00 72.50 70.85 1ux0 s THR 32 CO 0.02 -0.09 1.91 0.11 -0.54 0.00 0.00 174.62 176.03 1ux0 h LYS 33 N -0.51 1.22 0.00 3.99 1.79 -1.39 -0.87 116.57 120.80 1ux0 h LYS 33 Ca -0.45 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1ux0 h LYS 33 Cb 1.30 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1ux0 h LYS 33 CO 0.60 0.81 0.00 -0.25 -1.08 0.00 0.00 179.45 179.53 1ux0 n ASP 34 N -4.44 0.00 0.00 0.86 8.00 -1.26 -4.88 116.55 114.83 1ux0 n ASP 34 Ca 0.11 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1ux0 n ASP 34 Cb 0.03 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 1ux0 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ux0 n GLY 35 N 0.38 0.83 3.81 0.44 0.00 -0.33 -5.07 105.19 105.24 1ux0 n GLY 35 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1ux0 n GLY 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ux0 s LYS 36 N -0.71 4.28 -0.14 1.61 2.20 -1.26 -4.78 119.74 120.94 1ux0 s LYS 36 Ca 0.00 0.95 -0.01 0.00 -0.36 0.00 0.00 55.97 56.55 1ux0 s LYS 36 Cb 0.00 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.54 1ux0 s LYS 36 CO 0.00 0.32 -0.11 0.08 -0.36 0.00 0.00 175.35 175.27 1ux0 s VAL 37 N -1.64 3.14 -0.18 4.02 1.01 -1.26 -0.94 120.40 124.55 1ux0 s VAL 37 Ca 0.47 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1ux0 s VAL 37 Cb -0.16 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1ux0 s VAL 37 CO 0.21 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.45 1ux0 s TYR 38 N 0.48 2.95 0.13 5.22 1.51 0.21 -4.93 117.35 122.92 1ux0 s TYR 38 Ca -0.08 -0.64 -0.08 0.00 -1.01 0.00 0.00 57.07 55.26 1ux0 s TYR 38 Cb -0.16 -2.01 -0.06 0.00 -0.11 0.00 0.00 41.96 39.63 1ux0 s TYR 38 CO 0.04 -0.30 0.42 1.03 -1.11 0.00 0.00 175.55 175.64 1ux0 s ARG 39 N 0.87 3.73 0.05 -0.62 0.52 -1.26 -0.65 118.95 121.59 1ux0 s ARG 39 Ca -0.01 0.12 -0.04 0.00 -0.52 0.00 0.00 55.73 55.28 1ux0 s ARG 39 Cb -0.15 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1ux0 s ARG 39 CO 0.01 0.48 0.06 0.20 0.02 0.00 0.00 175.30 176.07 1ux0 s GLY 40 N -2.09 0.26 0.09 -3.53 0.00 0.15 -4.36 107.32 97.84 1ux0 s GLY 40 Ca 0.38 -0.77 -0.13 0.00 0.00 0.00 0.00 44.72 44.20 1ux0 s GLY 40 CO 0.21 -0.90 0.32 0.00 0.00 0.00 0.00 173.10 172.73 1ux0 s ASN 42 N -2.59 7.02 -0.15 0.00 4.22 -1.15 -3.80 114.94 118.48 1ux0 s ASN 42 Ca 0.01 1.91 -0.01 0.00 -2.14 0.00 0.00 52.86 52.63 1ux0 s ASN 42 Cb 0.02 -2.58 0.04 0.00 1.28 0.00 0.00 41.25 40.02 1ux0 s ASN 42 CO -0.09 -0.30 -0.01 -0.63 -2.04 0.00 0.00 177.10 174.02 1ux0 s ILE 43 N -1.71 0.78 0.72 0.54 1.01 0.20 -1.24 121.20 121.50 1ux0 s ILE 43 Ca 0.55 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 1ux0 s ILE 43 Cb -0.19 -1.05 0.12 0.00 0.01 0.00 0.00 42.46 41.35 1ux0 s ILE 43 CO 0.24 0.05 0.99 -1.61 0.00 0.00 0.00 174.94 174.62 1ux0 s GLU 44 N 1.77 1.69 -0.04 2.79 2.02 0.11 -0.75 118.70 126.30 1ux0 s GLU 44 Ca 0.01 -1.08 -0.18 0.00 0.02 0.00 0.00 54.97 53.74 1ux0 s GLU 44 Cb -0.15 -2.32 0.04 0.00 0.10 0.00 0.00 34.13 31.79 1ux0 s GLU 44 CO -0.07 -1.44 0.40 1.21 0.02 0.00 0.00 175.26 175.38 1ux0 s ASN 45 N -4.73 -0.32 0.46 -0.19 3.84 -1.26 -4.86 114.94 107.88 1ux0 s ASN 45 Ca 0.66 0.31 0.20 0.00 0.21 0.00 0.00 52.86 54.24 1ux0 s ASN 45 Cb -0.05 0.43 1.18 0.00 -0.55 0.00 0.00 41.25 42.25 1ux0 s ASN 45 CO 0.44 -0.45 1.93 0.00 -2.79 0.00 0.00 177.10 176.24 1ux0 h ALA 46 N 3.87 2.28 -2.02 1.71 0.00 -2.00 -3.15 119.26 119.95 1ux0 h ALA 46 Ca -0.29 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.92 1ux0 h ALA 46 Cb 1.17 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.75 1ux0 h ALA 46 CO 0.38 -0.48 0.47 0.00 0.00 0.00 0.00 179.25 179.61 1ux0 s ALA 47 N -5.27 3.46 0.44 0.00 0.00 -1.26 -4.93 121.76 114.19 1ux0 s ALA 47 Ca -0.07 -2.57 0.30 0.00 0.00 0.00 0.00 51.96 49.63 1ux0 s ALA 47 Cb 0.21 -3.79 1.45 0.00 0.00 0.00 0.00 23.12 20.99 1ux0 s ALA 47 CO 0.76 -2.66 1.60 1.88 0.00 0.00 0.00 175.76 177.34 1ux0 h TYR 48 N 8.87 0.54 0.00 0.00 0.99 -1.99 0.75 116.97 126.13 1ux0 h TYR 48 Ca -0.05 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1ux0 h TYR 48 Cb 1.05 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.65 1ux0 h TYR 48 CO 1.02 -0.26 0.00 0.66 -0.00 0.00 0.00 178.16 179.58 1ux0 h SER 49 N 0.05 0.00 0.14 3.88 4.64 -1.91 -2.10 113.55 118.24 1ux0 h SER 49 Ca 0.85 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.17 1ux0 h SER 49 Cb 2.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.76 1ux0 h SER 49 CO -0.47 0.00 -0.09 0.23 -0.87 0.00 0.00 176.83 175.63 1ux0 n MET 50 N -2.93 1.16 -1.80 4.77 2.81 0.26 -4.93 117.12 116.45 1ux0 n MET 50 Ca -0.02 -0.58 -0.41 0.00 -1.81 0.00 0.00 57.70 54.88 1ux0 n MET 50 Cb 0.12 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1ux0 n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ux0 s ASN 52 N -0.24 3.44 0.53 0.00 2.47 0.08 -4.99 114.94 116.23 1ux0 s ASN 52 Ca 0.55 -0.44 -0.12 0.00 0.42 0.00 0.00 52.86 53.27 1ux0 s ASN 52 Cb -0.46 -1.21 -0.06 0.00 -1.45 0.00 0.00 41.25 38.08 1ux0 s ASN 52 CO 0.61 0.21 0.95 0.00 -3.72 0.00 0.00 177.10 175.15 1ux0 h ALA 54 N 0.43 0.55 -0.59 0.00 0.00 -1.84 -1.49 119.26 116.32 1ux0 h ALA 54 Ca -0.46 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1ux0 h ALA 54 Cb 1.19 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1ux0 h ALA 54 CO 0.62 -0.28 0.31 0.93 0.00 0.00 0.00 179.25 180.82 1ux0 h GLU 55 N 0.27 0.56 -0.31 0.00 3.07 -1.89 -1.83 114.58 114.44 1ux0 h GLU 55 Ca 0.24 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 1ux0 h GLU 55 Cb 0.29 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1ux0 h GLU 55 CO -0.29 0.37 -0.28 1.96 -1.40 0.00 0.00 179.01 179.37 1ux0 h GLN 56 N 0.57 0.65 -0.28 2.33 4.20 -1.81 -2.02 115.11 118.74 1ux0 h GLN 56 Ca 0.27 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ux0 h GLN 56 Cb 0.19 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1ux0 h GLN 56 CO -0.19 0.86 0.19 1.15 -0.67 0.00 0.00 178.83 180.17 1ux0 h THR 57 N 0.56 1.07 -0.31 -0.54 2.02 -0.69 0.93 112.91 115.95 1ux0 h THR 57 Ca 0.07 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ux0 h THR 57 Cb 0.77 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1ux0 h THR 57 CO 0.06 0.07 0.14 0.00 0.37 0.00 0.00 175.52 176.16 1ux0 h ALA 58 N 1.11 0.40 -0.58 6.16 0.00 -1.21 -1.53 119.26 123.60 1ux0 h ALA 58 Ca 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ux0 h ALA 58 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ux0 h ALA 58 CO -0.02 -0.02 0.05 -0.07 0.00 0.00 0.00 179.25 179.18 1ux0 h LEU 59 N 0.36 0.97 -0.71 0.00 3.38 -1.17 -1.95 115.31 116.19 1ux0 h LEU 59 Ca 0.10 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1ux0 h LEU 59 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1ux0 h LEU 59 CO -0.01 1.01 0.17 -0.26 0.09 0.00 0.00 178.44 179.44 1ux0 h PHE 60 N 0.90 1.20 -0.03 1.13 0.05 -0.74 -1.15 116.94 118.30 1ux0 h PHE 60 Ca 0.17 -0.15 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1ux0 h PHE 60 Cb 0.49 -0.34 -0.00 0.00 2.00 0.00 0.00 35.95 38.10 1ux0 h PHE 60 CO 0.04 0.97 0.01 0.87 -0.18 0.00 0.00 178.31 180.02 1ux0 h LYS 61 N 1.07 0.04 0.49 1.51 1.57 -1.11 -1.39 116.57 118.75 1ux0 h LYS 61 Ca 0.22 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1ux0 h LYS 61 Cb 0.38 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1ux0 h LYS 61 CO 0.00 0.14 -0.33 0.00 -0.57 0.00 0.00 179.45 178.69 1ux0 h ALA 62 N 0.90 -0.81 -0.96 3.86 0.00 -1.18 -2.62 119.26 118.45 1ux0 h ALA 62 Ca 0.01 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ux0 h ALA 62 Cb 0.11 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1ux0 h ALA 62 CO -0.00 -0.98 0.61 0.28 0.00 0.00 0.00 179.25 179.17 1ux0 h VAL 63 N -0.80 0.96 0.00 0.00 2.07 -1.13 0.50 116.25 117.85 1ux0 h VAL 63 Ca -0.05 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ux0 h VAL 63 Cb 0.67 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1ux0 h VAL 63 CO 0.03 0.18 0.00 0.77 0.02 0.00 0.00 177.57 178.57 1ux0 h SER 64 N 0.97 0.00 0.23 0.57 4.64 -1.04 -1.94 113.55 116.98 1ux0 h SER 64 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1ux0 h SER 64 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1ux0 h SER 64 CO -0.22 0.00 -0.40 -0.62 -0.87 0.00 0.00 176.83 174.72 1ux0 n GLU 65 N -2.99 0.66 0.00 4.77 -0.58 0.12 -4.94 120.64 117.68 1ux0 n GLU 65 Ca -0.00 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 1ux0 n GLU 65 Cb 0.23 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1ux0 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ux0 n GLY 66 N 1.40 0.38 3.64 0.62 0.00 -0.73 -5.06 105.19 105.44 1ux0 n GLY 66 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1ux0 n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ux0 s ASP 67 N -2.65 6.67 0.00 1.61 -0.00 -0.91 -4.88 116.67 116.51 1ux0 s ASP 67 Ca 0.00 0.82 0.00 0.00 -0.00 0.00 0.00 52.55 53.37 1ux0 s ASP 67 Cb 0.00 -2.37 0.00 0.00 -0.00 0.00 0.00 42.92 40.55 1ux0 s ASP 67 CO 0.00 -0.39 0.40 0.35 -0.00 0.00 0.00 175.17 175.53 1ux0 n THR 68 N 5.11 0.16 -3.77 -1.27 -2.24 -1.26 -3.06 114.28 107.95 1ux0 n THR 68 Ca 0.01 -0.28 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 1ux0 n THR 68 Cb 0.49 1.28 -0.13 0.00 -2.10 0.00 0.00 70.33 69.87 1ux0 n THR 68 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ux0 s GLU 69 N -0.16 2.58 0.27 -0.78 0.41 -1.26 -4.94 118.70 114.83 1ux0 s GLU 69 Ca 0.00 -1.21 0.11 0.00 -0.41 0.00 0.00 54.97 53.46 1ux0 s GLU 69 Cb 0.00 -3.42 -0.05 0.00 -1.78 0.00 0.00 34.13 28.88 1ux0 s GLU 69 CO 0.00 -0.67 -0.13 -0.06 -0.49 0.00 0.00 175.26 173.91 1ux0 s PHE 70 N 1.37 2.44 0.00 1.61 0.40 -1.26 -1.11 117.98 121.43 1ux0 s PHE 70 Ca -0.02 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1ux0 s PHE 70 Cb -0.20 -1.07 0.00 0.00 0.51 0.00 0.00 43.02 42.27 1ux0 s PHE 70 CO 0.02 0.68 0.00 0.00 0.70 0.00 0.00 175.22 176.62 1ux0 n GLN 71 N -0.70 2.86 -3.59 0.44 10.64 0.13 -4.66 117.38 122.48 1ux0 n GLN 71 Ca -0.06 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 54.95 1ux0 n GLN 71 Cb 0.60 -0.90 -0.07 0.00 -0.86 0.00 0.00 30.24 29.00 1ux0 n GLN 71 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1ux0 s MET 72 N -1.77 0.93 -0.06 2.61 0.00 -1.15 -2.12 119.30 117.73 1ux0 s MET 72 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 55.69 55.93 1ux0 s MET 72 Cb 0.00 0.44 0.02 0.00 0.00 0.00 0.00 34.83 35.29 1ux0 s MET 72 CO 0.00 -0.27 -0.04 -1.17 0.00 0.00 0.00 175.02 173.54 1ux0 s LEU 73 N -1.03 1.12 -0.04 4.11 2.96 0.58 -0.47 118.68 125.91 1ux0 s LEU 73 Ca -0.10 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1ux0 s LEU 73 Cb -0.02 -0.52 -0.03 0.00 0.50 0.00 0.00 46.19 46.12 1ux0 s LEU 73 CO 0.08 -0.10 -0.10 0.00 -1.32 0.00 0.00 176.35 174.91 1ux0 s ALA 74 N 1.30 2.88 -0.01 5.97 0.00 0.01 0.79 121.76 132.69 1ux0 s ALA 74 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1ux0 s ALA 74 Cb -0.14 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1ux0 s ALA 74 CO -0.02 0.58 -0.04 0.08 0.00 0.00 0.00 175.76 176.36 1ux0 s VAL 75 N -0.84 0.34 -0.02 0.00 1.01 0.20 -0.82 120.40 120.28 1ux0 s VAL 75 Ca 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1ux0 s VAL 75 Cb -0.11 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1ux0 s VAL 75 CO 0.03 0.12 0.06 0.00 0.00 0.00 0.00 175.10 175.31 1ux0 s ALA 76 N 0.18 -0.15 0.20 5.51 0.00 0.39 -1.51 121.76 126.39 1ux0 s ALA 76 Ca -0.02 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 1ux0 s ALA 76 Cb -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1ux0 s ALA 76 CO -0.00 -0.07 0.55 0.00 0.00 0.00 0.00 175.76 176.23 1ux0 s ALA 77 N -0.32 -0.99 -1.41 0.00 0.00 -1.21 -0.73 121.76 117.09 1ux0 s ALA 77 Ca -0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.64 1ux0 s ALA 77 Cb -0.03 0.86 0.07 0.00 0.00 0.00 0.00 23.12 24.03 1ux0 s ALA 77 CO 0.00 -0.83 2.41 -3.47 0.00 0.00 0.00 175.76 173.88 1ux0 n ASP 78 N -0.36 7.23 -4.89 0.00 2.03 -1.26 -3.24 116.55 116.06 1ux0 n ASP 78 Ca -0.10 -2.96 -0.21 0.00 0.52 0.00 0.00 54.79 52.04 1ux0 n ASP 78 Cb 0.62 -1.46 -0.03 0.00 -0.72 0.00 0.00 41.12 39.53 1ux0 n ASP 78 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ux0 s THR 79 N 0.42 4.23 0.21 5.18 -4.23 -1.26 -4.97 115.64 115.21 1ux0 s THR 79 Ca 0.54 -1.24 -0.10 0.00 -1.18 0.00 0.00 61.69 59.72 1ux0 s THR 79 Cb 0.16 -3.42 0.14 0.00 1.34 0.00 0.00 72.50 70.73 1ux0 s THR 79 CO -0.07 -0.25 1.74 -0.65 -0.54 0.00 0.00 174.62 174.85 1ux0 h PRO 80 N 1.24 0.38 0.00 3.99 0.11 -2.01 -3.43 132.00 132.29 1ux0 h PRO 80 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ux0 h PRO 80 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ux0 h PRO 80 CO 0.58 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 1ux0 n GLY 81 N -1.29 5.82 3.75 -0.55 0.00 -1.26 -5.02 105.19 106.63 1ux0 n GLY 81 Ca 0.09 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1ux0 n GLY 81 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ux0 n PRO 82 N 0.00 2.59 -1.77 1.61 -0.02 -1.26 -4.39 135.00 131.76 1ux0 n PRO 82 Ca 0.00 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 61.98 1ux0 n PRO 82 Cb 0.00 -2.65 -0.00 0.00 -0.02 0.00 0.00 33.50 30.83 1ux0 n PRO 82 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1ux0 n VAL 83 N 1.28 1.79 -3.64 -1.45 3.14 -1.03 -4.82 118.33 113.61 1ux0 n VAL 83 Ca 0.05 -0.45 -0.39 0.00 -2.96 0.00 0.00 64.34 60.60 1ux0 n VAL 83 Cb 0.37 -1.99 -0.11 0.00 -1.06 0.00 0.00 33.84 31.05 1ux0 n VAL 83 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1ux0 s SER 84 N 0.01 5.61 0.34 6.55 0.15 -1.26 -4.60 113.70 120.50 1ux0 s SER 84 Ca 0.55 -0.63 -0.29 0.00 0.70 0.00 0.00 55.95 56.29 1ux0 s SER 84 Cb -0.48 -2.01 -0.12 0.00 -1.71 0.00 0.00 66.02 61.70 1ux0 s SER 84 CO 0.61 -0.24 1.42 -2.65 1.20 0.00 0.00 173.24 173.58 1ux0 n PRO 85 N 4.99 2.42 -1.24 5.44 -0.02 -1.26 -4.95 135.00 140.38 1ux0 n PRO 85 Ca -0.13 0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 1ux0 n PRO 85 Cb 0.48 -2.53 0.10 0.00 -0.02 0.00 0.00 33.50 31.54 1ux0 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ux0 h GLY 87 N -1.24 1.24 0.92 0.00 0.00 -2.00 -1.68 103.07 100.31 1ux0 h GLY 87 Ca -0.45 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 46.72 1ux0 h GLY 87 CO 0.52 -0.08 0.50 0.00 0.00 0.00 0.00 176.54 177.48 1ux0 h ALA 88 N 1.56 1.00 -0.52 3.60 0.00 -2.00 -1.54 119.26 121.36 1ux0 h ALA 88 Ca 0.44 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 1ux0 h ALA 88 Cb 0.65 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ux0 h ALA 88 CO -0.39 0.33 0.12 0.00 0.00 0.00 0.00 179.25 179.31 1ux0 h ARG 90 N 0.73 0.89 -0.35 0.00 3.08 -0.94 0.94 114.38 118.73 1ux0 h ARG 90 Ca 0.16 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1ux0 h ARG 90 Cb 0.34 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1ux0 h ARG 90 CO 0.00 0.62 0.08 0.37 -1.07 0.00 0.00 179.97 179.98 1ux0 h GLN 91 N 0.91 0.56 -0.45 0.04 5.75 -0.88 0.30 115.11 121.35 1ux0 h GLN 91 Ca 0.24 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1ux0 h GLN 91 Cb -0.05 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1ux0 h GLN 91 CO -0.05 0.61 0.03 0.28 -2.65 0.00 0.00 178.83 177.06 1ux0 h VAL 92 N 0.41 1.25 -0.54 2.39 2.07 -0.81 -2.67 116.25 118.36 1ux0 h VAL 92 Ca 0.11 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1ux0 h VAL 92 Cb 0.30 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1ux0 h VAL 92 CO 0.00 0.34 0.34 0.40 0.02 0.00 0.00 177.57 178.67 1ux0 h ILE 93 N 0.62 1.11 0.00 4.57 2.04 -0.67 -1.00 117.51 124.17 1ux0 h ILE 93 Ca 0.13 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1ux0 h ILE 93 Cb 0.45 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1ux0 h ILE 93 CO 0.02 0.13 -0.04 0.77 0.00 0.00 0.00 178.15 179.03 1ux0 h SER 94 N 0.70 0.00 0.06 1.72 4.64 -0.73 0.97 113.55 120.91 1ux0 h SER 94 Ca 0.21 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.25 1ux0 h SER 94 Cb -0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1ux0 h SER 94 CO -0.06 0.04 -1.49 -0.08 -0.87 0.00 0.00 176.83 174.36 1ux0 h GLU 95 N 0.00 0.12 0.00 4.77 4.57 -1.04 -3.40 114.58 119.60 1ux0 h GLU 95 Ca -0.00 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1ux0 h GLU 95 Cb 0.16 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1ux0 h GLU 95 CO 0.00 1.10 -0.47 1.28 -1.18 0.00 0.00 179.01 179.75 1ux0 n LEU 96 N -4.07 0.59 -4.39 1.64 4.77 -0.45 -4.87 117.00 110.23 1ux0 n LEU 96 Ca -0.31 0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 55.59 1ux0 n LEU 96 Cb 0.82 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 1ux0 n LEU 96 CO 0.30 -0.02 -0.52 0.00 -1.33 0.00 0.00 177.39 175.82 1ux0 s THR 98 N -0.71 3.22 0.51 0.00 -4.23 -1.26 -4.68 115.64 108.49 1ux0 s THR 98 Ca 0.11 0.62 0.31 0.00 -1.18 0.00 0.00 61.69 61.55 1ux0 s THR 98 Cb -0.10 -3.16 0.50 0.00 1.34 0.00 0.00 72.50 71.08 1ux0 s THR 98 CO 0.01 -0.30 1.83 0.11 -0.54 0.00 0.00 174.62 175.73 1ux0 h LYS 99 N 0.37 0.08 -0.29 3.99 1.79 -1.95 -1.83 116.57 118.72 1ux0 h LYS 99 Ca -0.48 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1ux0 h LYS 99 Cb 1.25 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1ux0 h LYS 99 CO 0.55 0.05 0.00 -0.25 -1.08 0.00 0.00 179.45 178.72 1ux0 n ASP 100 N -4.30 2.50 -4.77 0.86 8.00 -1.26 -2.25 116.55 115.33 1ux0 n ASP 100 Ca 0.23 -1.86 -0.41 0.00 0.71 0.00 0.00 54.79 53.46 1ux0 n ASP 100 Cb 1.07 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.97 1ux0 n ASP 100 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ux0 s VAL 101 N -1.62 2.19 -0.07 2.53 1.01 -0.69 -4.79 120.40 118.96 1ux0 s VAL 101 Ca 0.35 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.28 1ux0 s VAL 101 Cb 0.19 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1ux0 s VAL 101 CO 0.28 0.04 0.66 -0.63 0.00 0.00 0.00 175.10 175.45 1ux0 s ILE 102 N -0.81 5.06 -0.22 2.22 1.01 -0.90 -1.98 121.20 125.58 1ux0 s ILE 102 Ca 0.55 1.36 -0.05 0.00 0.00 0.00 0.00 60.65 62.51 1ux0 s ILE 102 Cb -0.45 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 1ux0 s ILE 102 CO 0.57 0.27 -0.01 -0.69 0.00 0.00 0.00 174.94 175.08 1ux0 s VAL 103 N 0.72 3.68 -0.29 2.92 1.01 0.13 -0.31 120.40 128.27 1ux0 s VAL 103 Ca 0.35 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1ux0 s VAL 103 Cb -0.17 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1ux0 s VAL 103 CO 0.17 0.40 0.07 -0.69 0.00 0.00 0.00 175.10 175.05 1ux0 s VAL 104 N 1.45 3.98 -0.12 2.92 1.01 0.24 -1.55 120.40 128.33 1ux0 s VAL 104 Ca 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1ux0 s VAL 104 Cb -0.14 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1ux0 s VAL 104 CO -0.01 0.12 -0.00 -0.76 0.00 0.00 0.00 175.10 174.45 1ux0 s LEU 105 N 1.51 3.50 0.29 3.92 1.43 0.32 -0.63 118.68 129.02 1ux0 s LEU 105 Ca 0.03 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 1ux0 s LEU 105 Cb -0.17 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1ux0 s LEU 105 CO 0.02 0.29 0.55 0.28 0.23 0.00 0.00 176.35 177.73 1ux0 s THR 106 N -0.36 0.00 0.00 5.49 -1.32 -0.57 -0.62 115.64 118.26 1ux0 s THR 106 Ca 0.07 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.21 1ux0 s THR 106 Cb -0.12 -2.37 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 1ux0 s THR 106 CO 0.02 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.97 1ux0 n ASN 107 N -0.76 0.00 -1.22 8.08 0.23 -1.19 -2.46 115.26 117.93 1ux0 n ASN 107 Ca -0.02 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.11 1ux0 n ASN 107 Cb 0.61 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.61 1ux0 n ASN 107 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ux0 n LEU 108 N 0.00 4.35 -0.32 -4.53 4.77 -1.20 -4.43 117.00 115.64 1ux0 n LEU 108 Ca 0.00 -2.74 0.05 0.00 -0.03 0.00 0.00 56.01 53.30 1ux0 n LEU 108 Cb 0.00 -0.54 0.08 0.00 -2.33 0.00 0.00 43.42 40.63 1ux0 n LEU 108 CO 0.00 0.70 0.41 0.00 -1.33 0.00 0.00 177.39 177.17 1ux0 n GLN 109 N 0.23 0.68 -0.86 3.23 6.02 -1.26 -5.01 117.38 120.41 1ux0 n GLN 109 Ca 0.22 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 55.33 1ux0 n GLN 109 Cb 0.90 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 31.14 1ux0 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ux0 n GLY 110 N -0.73 0.62 3.72 1.08 0.00 -1.26 -5.03 105.19 103.59 1ux0 n GLY 110 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ux0 n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ux0 s GLN 111 N -0.14 4.55 -0.05 1.61 -1.52 -1.26 -4.97 119.66 117.89 1ux0 s GLN 111 Ca 0.00 1.61 0.01 0.00 -1.95 0.00 0.00 55.36 55.02 1ux0 s GLN 111 Cb 0.00 -3.37 0.02 0.00 -0.22 0.00 0.00 33.01 29.45 1ux0 s GLN 111 CO 0.00 -0.04 -0.04 0.42 -0.25 0.00 0.00 175.29 175.38 1ux0 s ILE 112 N 0.55 0.52 -0.11 1.08 1.01 -1.26 -3.20 121.20 119.80 1ux0 s ILE 112 Ca 0.53 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 61.09 1ux0 s ILE 112 Cb -0.26 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.66 1ux0 s ILE 112 CO 0.30 0.23 -0.14 -0.75 0.00 0.00 0.00 174.94 174.58 1ux0 s LYS 113 N 1.03 2.07 -0.05 2.79 2.20 0.21 -5.00 119.74 122.99 1ux0 s LYS 113 Ca -0.09 -0.51 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1ux0 s LYS 113 Cb -0.14 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.36 1ux0 s LYS 113 CO -0.01 -0.08 -0.17 -2.00 -0.36 0.00 0.00 175.35 172.73 1ux0 s GLU 114 N 1.05 2.54 0.19 4.03 2.12 -1.26 -0.52 118.70 126.84 1ux0 s GLU 114 Ca -0.06 -0.75 -0.22 0.00 0.36 0.00 0.00 54.97 54.30 1ux0 s GLU 114 Cb -0.15 -2.33 0.05 0.00 0.26 0.00 0.00 34.13 31.97 1ux0 s GLU 114 CO -0.02 0.54 0.61 0.00 -0.54 0.00 0.00 175.26 175.85 1ux0 s MET 115 N -0.53 1.39 0.69 4.30 0.23 -0.59 -5.01 119.30 119.78 1ux0 s MET 115 Ca 0.07 -0.63 -0.07 0.00 -1.03 0.00 0.00 55.69 54.04 1ux0 s MET 115 Cb -0.11 0.58 0.05 0.00 -1.53 0.00 0.00 34.83 33.82 1ux0 s MET 115 CO 0.01 -0.61 1.00 0.95 -2.03 0.00 0.00 175.02 174.34 1ux0 s THR 116 N -3.80 2.45 0.25 3.16 -4.23 -1.26 0.22 115.64 112.43 1ux0 s THR 116 Ca 0.04 -0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1ux0 s THR 116 Cb -0.02 -3.06 0.14 0.00 1.34 0.00 0.00 72.50 70.90 1ux0 s THR 116 CO -0.08 -0.06 1.78 0.58 -0.54 0.00 0.00 174.62 176.30 1ux0 h VAL 117 N -0.55 1.24 -0.26 2.29 2.07 -1.16 -0.77 116.25 119.12 1ux0 h VAL 117 Ca -0.44 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 1ux0 h VAL 117 Cb 1.31 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1ux0 h VAL 117 CO 0.60 0.33 0.16 -0.08 0.02 0.00 0.00 177.57 178.61 1ux0 h GLU 118 N 0.91 0.35 0.00 1.57 4.57 -1.76 -2.23 114.58 117.98 1ux0 h GLU 118 Ca 0.19 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 1ux0 h GLU 118 Cb 0.33 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1ux0 h GLU 118 CO 0.00 0.27 -0.26 0.93 -1.18 0.00 0.00 179.01 178.77 1ux0 h GLU 119 N 0.33 0.00 -0.40 1.92 5.08 -1.76 -0.72 114.58 119.02 1ux0 h GLU 119 Ca 0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1ux0 h GLU 119 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1ux0 h GLU 119 CO -0.02 0.26 0.04 1.25 -1.00 0.00 0.00 179.01 179.54 1ux0 h LEU 120 N 0.00 0.59 -5.51 1.33 5.85 -0.53 -3.37 115.31 113.66 1ux0 h LEU 120 Ca -0.00 -0.11 -0.32 0.00 0.84 0.00 0.00 57.88 58.28 1ux0 h LEU 120 Cb 0.49 -0.15 -0.24 0.00 0.37 0.00 0.00 40.66 41.13 1ux0 h LEU 120 CO 0.03 0.63 -0.68 -0.11 -0.34 0.00 0.00 178.44 177.97 1ux0 n LEU 121 N -4.27 -2.26 -4.68 2.25 7.94 -1.02 -5.02 117.00 109.93 1ux0 n LEU 121 Ca 0.02 -3.52 -0.45 0.00 -1.11 0.00 0.00 56.01 50.96 1ux0 n LEU 121 Cb 0.24 0.69 -0.03 0.00 0.53 0.00 0.00 43.42 44.85 1ux0 n LEU 121 CO 0.39 1.92 1.09 -2.65 -1.11 0.00 0.00 177.39 177.03 1ux0 n PRO 122 N 2.76 2.14 -3.58 1.96 -0.02 -0.31 -2.35 135.00 135.60 1ux0 n PRO 122 Ca 0.22 0.76 -0.26 0.00 -2.02 0.00 0.00 63.50 62.20 1ux0 n PRO 122 Cb 0.54 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1ux0 n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ux0 n GLY 123 N 2.49 -0.52 3.69 -1.23 0.00 -1.26 -4.90 105.19 103.46 1ux0 n GLY 123 Ca 0.13 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 1ux0 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ux0 n ALA 124 N -4.41 1.15 -1.68 4.61 0.00 -0.99 -4.87 120.51 114.32 1ux0 n ALA 124 Ca -0.00 0.30 -0.45 0.00 0.00 0.00 0.00 53.44 53.29 1ux0 n ALA 124 Cb 0.55 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.73 1ux0 n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ux0 n PHE 125 N 0.00 2.36 -4.31 0.00 7.35 -1.26 -4.96 117.46 116.65 1ux0 n PHE 125 Ca 0.06 0.23 -0.19 0.00 -0.76 0.00 0.00 57.45 56.79 1ux0 n PHE 125 Cb 0.38 -2.57 -0.08 0.00 0.35 0.00 0.00 39.48 37.56 1ux0 n PHE 125 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1ux0 s SER 126 N 0.95 1.63 0.41 -2.13 1.04 -1.26 -4.98 113.70 109.36 1ux0 s SER 126 Ca 0.78 -1.69 0.11 0.00 0.48 0.00 0.00 55.95 55.64 1ux0 s SER 126 Cb -0.65 0.51 0.94 0.00 0.10 0.00 0.00 66.02 66.92 1ux0 s SER 126 CO 0.37 -1.00 1.96 0.77 0.98 0.00 0.00 173.24 176.32 1ux0 h SER 127 N 2.15 0.47 -0.21 7.02 4.64 -2.00 -0.21 113.55 125.41 1ux0 h SER 127 Ca -0.28 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.11 1ux0 h SER 127 Cb 1.24 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1ux0 h SER 127 CO 0.43 0.28 0.16 -0.33 -0.87 0.00 0.00 176.83 176.50 1ux0 h GLU 128 N 0.53 0.00 0.00 4.77 3.07 -1.98 0.34 114.58 121.31 1ux0 h GLU 128 Ca 0.31 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.10 1ux0 h GLU 128 Cb 0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1ux0 h GLU 128 CO -0.10 0.00 -0.33 -0.44 -1.40 0.00 0.00 179.01 176.75 1ux0 h ASP 129 N 0.00 0.00 -0.01 1.42 3.32 -1.44 -3.55 116.42 116.16 1ux0 h ASP 129 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ux0 h ASP 129 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ux0 h ASP 129 CO -0.00 0.33 0.00 0.18 -1.72 0.00 0.00 179.24 178.02