#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uj1 n GLY 2 N 0.00 -2.54 2.72 0.46 0.00 -1.26 -4.97 105.19 99.60 1uj1 n GLY 2 Ca 0.00 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 1uj1 n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uj1 s PHE 3 N -2.93 -0.12 0.18 1.61 5.36 -1.26 -5.05 117.98 115.77 1uj1 s PHE 3 Ca 0.00 0.13 0.10 0.00 -0.96 0.00 0.00 56.93 56.21 1uj1 s PHE 3 Cb 0.00 -0.44 -0.04 0.00 -0.34 0.00 0.00 43.02 42.20 1uj1 s PHE 3 CO 0.00 -0.52 -0.22 0.50 -1.46 0.00 0.00 175.22 173.52 1uj1 s ARG 4 N 2.27 1.41 -0.11 10.12 6.06 -1.26 -5.04 118.95 132.39 1uj1 s ARG 4 Ca 0.05 -1.46 -0.30 0.00 -2.50 0.00 0.00 55.73 51.52 1uj1 s ARG 4 Cb -0.15 -1.65 -0.03 0.00 0.06 0.00 0.00 34.95 33.18 1uj1 s ARG 4 CO -0.10 0.35 1.29 0.21 -2.50 0.00 0.00 175.30 174.55 1uj1 s LYS 5 N -2.66 4.27 -0.07 5.12 2.20 -1.26 -4.97 119.74 122.37 1uj1 s LYS 5 Ca 0.18 1.73 0.05 0.00 -0.36 0.00 0.00 55.97 57.57 1uj1 s LYS 5 Cb -0.07 -3.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.53 1uj1 s LYS 5 CO 0.08 -0.63 -0.22 1.41 -0.36 0.00 0.00 175.35 175.63 1uj1 s MET 6 N 3.08 2.66 0.19 4.03 1.75 -1.26 -4.96 119.30 124.80 1uj1 s MET 6 Ca 0.57 -0.86 0.04 0.00 -1.25 0.00 0.00 55.69 54.19 1uj1 s MET 6 Cb -0.24 -2.25 -0.03 0.00 2.84 0.00 0.00 34.83 35.15 1uj1 s MET 6 CO 0.19 0.38 0.31 0.00 -0.65 0.00 0.00 175.02 175.24 1uj1 s ALA 7 N -0.15 3.92 0.58 4.11 0.00 -1.26 -4.79 121.76 124.17 1uj1 s ALA 7 Ca -0.03 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 50.61 1uj1 s ALA 7 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1uj1 s ALA 7 CO 0.04 0.40 1.09 -0.06 0.00 0.00 0.00 175.76 177.22 1uj1 s PHE 8 N -1.86 2.79 0.24 0.00 0.08 -1.26 -4.94 117.98 113.03 1uj1 s PHE 8 Ca 0.34 1.54 -0.31 0.00 0.12 0.00 0.00 56.93 58.62 1uj1 s PHE 8 Cb -0.10 -3.15 -0.12 0.00 -0.57 0.00 0.00 43.02 39.09 1uj1 s PHE 8 CO 0.28 -1.37 1.69 -2.30 -0.10 0.00 0.00 175.22 173.42 1uj1 n PRO 9 N -1.74 2.78 0.00 0.24 -0.02 -1.26 -4.91 135.00 130.08 1uj1 n PRO 9 Ca 0.10 1.00 0.13 0.00 -2.02 0.00 0.00 63.50 62.71 1uj1 n PRO 9 Cb 0.52 -2.83 0.41 0.00 -0.02 0.00 0.00 33.50 31.59 1uj1 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1uj1 n SER 10 N 3.35 1.15 -0.24 2.55 3.41 -1.26 -4.55 113.62 118.03 1uj1 n SER 10 Ca 0.13 -1.04 0.05 0.00 -0.26 0.00 0.00 58.87 57.75 1uj1 n SER 10 Cb 0.36 0.10 0.17 0.00 -0.26 0.00 0.00 64.21 64.58 1uj1 n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1uj1 h GLY 11 N 4.91 0.99 1.87 5.00 0.00 -1.99 0.45 103.07 114.30 1uj1 h GLY 11 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.32 1uj1 h GLY 11 CO 0.00 -0.20 0.05 0.50 0.00 0.00 0.00 176.54 176.89 1uj1 h LYS 12 N 0.26 0.00 0.05 4.80 1.57 -1.96 -1.95 116.57 119.34 1uj1 h LYS 12 Ca 0.41 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.87 1uj1 h LYS 12 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1uj1 h LYS 12 CO -0.51 0.00 -1.78 0.28 -0.57 0.00 0.00 179.45 176.87 1uj1 h VAL 13 N 0.00 0.81 -0.76 0.50 2.07 -1.44 -3.35 116.25 114.07 1uj1 h VAL 13 Ca 0.03 -2.60 0.10 0.00 0.82 0.00 0.00 66.70 65.05 1uj1 h VAL 13 Cb 0.13 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 1uj1 h VAL 13 CO -0.00 0.65 0.40 -0.33 0.02 0.00 0.00 177.57 178.31 1uj1 h GLU 14 N 0.03 0.64 0.00 1.57 5.08 -0.26 -0.50 114.58 121.13 1uj1 h GLU 14 Ca -0.32 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1uj1 h GLU 14 Cb 2.02 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1uj1 h GLU 14 CO 0.09 0.42 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 1uj1 n GLY 15 N -1.31 -0.42 0.11 -3.84 0.00 -0.82 -2.32 105.19 96.60 1uj1 n GLY 15 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1uj1 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uj1 s MET 17 N -0.46 4.50 0.24 0.00 -1.94 -0.98 0.19 119.30 120.84 1uj1 s MET 17 Ca 0.03 1.07 0.01 0.00 -1.71 0.00 0.00 55.69 55.10 1uj1 s MET 17 Cb 0.03 -3.31 -0.04 0.00 2.01 0.00 0.00 34.83 33.52 1uj1 s MET 17 CO 0.06 0.43 0.15 0.14 -0.01 0.00 0.00 175.02 175.79 1uj1 s VAL 18 N -0.59 0.10 -0.11 -6.03 -7.23 -0.57 -4.80 120.40 101.17 1uj1 s VAL 18 Ca 0.36 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1uj1 s VAL 18 Cb -0.21 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1uj1 s VAL 18 CO 0.24 0.00 0.01 -1.58 -0.31 0.00 0.00 175.10 173.46 1uj1 s GLN 19 N -4.00 3.24 -0.11 4.82 0.74 -0.25 -0.67 119.66 123.42 1uj1 s GLN 19 Ca 0.39 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.41 1uj1 s GLN 19 Cb 0.06 -2.88 0.01 0.00 1.10 0.00 0.00 33.01 31.31 1uj1 s GLN 19 CO 0.15 0.57 -0.16 0.08 -0.55 0.00 0.00 175.29 175.39 1uj1 s VAL 20 N -0.52 1.56 0.02 1.34 1.01 0.15 -1.06 120.40 122.90 1uj1 s VAL 20 Ca 0.09 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1uj1 s VAL 20 Cb -0.12 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1uj1 s VAL 20 CO 0.02 0.45 -0.21 -0.89 0.00 0.00 0.00 175.10 174.47 1uj1 s THR 21 N 0.99 1.68 -0.09 3.92 2.01 -0.03 -1.66 115.64 122.46 1uj1 s THR 21 Ca -0.06 -1.11 -0.04 0.00 0.31 0.00 0.00 61.69 60.80 1uj1 s THR 21 Cb -0.15 -1.44 0.05 0.00 0.01 0.00 0.00 72.50 70.97 1uj1 s THR 21 CO -0.02 0.30 0.19 0.00 -0.69 0.00 0.00 174.62 174.40 1uj1 n GLY 23 N 5.08 3.57 1.13 0.00 0.00 -1.26 -0.39 105.19 113.33 1uj1 n GLY 23 Ca -0.10 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1uj1 n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1uj1 n THR 24 N 0.00 0.76 -3.81 2.61 5.66 -1.26 -4.91 114.28 113.33 1uj1 n THR 24 Ca 0.00 -0.80 -0.35 0.00 -3.05 0.00 0.00 64.05 59.85 1uj1 n THR 24 Cb 0.00 0.51 -0.08 0.00 -1.55 0.00 0.00 70.33 69.21 1uj1 n THR 24 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1uj1 s THR 25 N -1.24 5.28 0.01 1.09 2.01 0.48 -5.09 115.64 118.17 1uj1 s THR 25 Ca 0.41 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.59 1uj1 s THR 25 Cb 0.22 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 1uj1 s THR 25 CO 0.29 0.46 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.69 1uj1 s THR 26 N 0.20 0.83 0.17 -0.82 2.01 -1.26 -0.37 115.64 116.40 1uj1 s THR 26 Ca 0.08 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 1uj1 s THR 26 Cb -0.11 -0.73 0.03 0.00 0.01 0.00 0.00 72.50 71.69 1uj1 s THR 26 CO -0.01 0.09 0.37 0.00 -0.69 0.00 0.00 174.62 174.38 1uj1 n LEU 27 N 2.42 0.00 -4.92 4.42 -0.00 -0.67 -4.95 117.00 113.31 1uj1 n LEU 27 Ca -0.16 -1.13 -0.27 0.00 -0.00 0.00 0.00 56.01 54.45 1uj1 n LEU 27 Cb 0.56 1.71 -0.03 0.00 -0.00 0.00 0.00 43.42 45.67 1uj1 n LEU 27 CO 0.24 -0.38 0.18 0.20 -0.00 0.00 0.00 177.39 177.63 1uj1 s ASN 28 N -1.97 6.40 0.10 1.45 0.01 -0.30 -0.67 114.94 119.96 1uj1 s ASN 28 Ca 0.08 0.63 0.01 0.00 -0.71 0.00 0.00 52.86 52.86 1uj1 s ASN 28 Cb -0.02 -2.11 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 1uj1 s ASN 28 CO 0.05 -0.21 -0.04 -0.83 -1.51 0.00 0.00 177.10 174.56 1uj1 s GLY 29 N -3.38 0.77 -0.21 0.66 0.00 0.16 -4.38 107.32 100.94 1uj1 s GLY 29 Ca 0.43 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.76 1uj1 s GLY 29 CO 0.32 -1.43 -0.06 -2.27 0.00 0.00 0.00 173.10 169.66 1uj1 s LEU 30 N -3.03 2.85 -0.34 0.66 0.20 0.63 -1.51 118.68 118.13 1uj1 s LEU 30 Ca 0.13 -0.39 -0.07 0.00 0.69 0.00 0.00 54.13 54.49 1uj1 s LEU 30 Cb 0.06 -1.72 0.04 0.00 -0.43 0.00 0.00 46.19 44.14 1uj1 s LEU 30 CO -0.04 0.00 0.12 0.86 -0.29 0.00 0.00 176.35 177.00 1uj1 s TRP 31 N 1.35 3.25 -0.09 5.38 -0.00 0.13 -0.48 118.94 128.48 1uj1 s TRP 31 Ca 0.04 -1.33 0.03 0.00 -0.00 0.00 0.00 56.10 54.84 1uj1 s TRP 31 Cb -0.14 -2.30 0.01 0.00 -0.00 0.00 0.00 33.47 31.03 1uj1 s TRP 31 CO -0.03 -0.71 -0.18 -0.51 -0.00 0.00 0.00 176.95 175.52 1uj1 s LEU 32 N 1.43 1.87 0.00 5.86 1.43 -0.56 -4.65 118.68 124.07 1uj1 s LEU 32 Ca -0.01 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1uj1 s LEU 32 Cb -0.19 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1uj1 s LEU 32 CO 0.04 0.09 0.00 0.47 0.23 0.00 0.00 176.35 177.18 1uj1 n ASP 33 N 3.72 0.00 -0.95 2.29 8.00 -1.26 -0.62 116.55 127.72 1uj1 n ASP 33 Ca -0.21 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.37 1uj1 n ASP 33 Cb 0.52 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.86 1uj1 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1uj1 n ASP 34 N 7.27 3.69 -4.31 -2.24 3.85 -1.26 -0.27 116.55 123.28 1uj1 n ASP 34 Ca 0.00 -2.44 -0.28 0.00 -0.71 0.00 0.00 54.79 51.36 1uj1 n ASP 34 Cb 0.00 -0.42 -0.14 0.00 -1.35 0.00 0.00 41.12 39.21 1uj1 n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1uj1 s THR 35 N -1.80 1.95 -0.10 2.12 2.01 0.20 -0.97 115.64 119.06 1uj1 s THR 35 Ca 0.36 -1.39 0.04 0.00 0.31 0.00 0.00 61.69 61.01 1uj1 s THR 35 Cb 0.24 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 71.06 1uj1 s THR 35 CO 0.16 0.23 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.40 1uj1 s VAL 36 N -0.87 1.98 -0.13 3.82 1.01 0.91 -1.49 120.40 125.63 1uj1 s VAL 36 Ca 0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1uj1 s VAL 36 Cb -0.10 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1uj1 s VAL 36 CO 0.03 0.54 0.00 -0.31 0.00 0.00 0.00 175.10 175.36 1uj1 s TYR 37 N 0.38 3.14 0.20 5.22 2.02 0.37 -0.68 117.35 128.00 1uj1 s TYR 37 Ca -0.18 0.02 -0.16 0.00 -0.37 0.00 0.00 57.07 56.38 1uj1 s TYR 37 Cb -0.18 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1uj1 s TYR 37 CO 0.08 0.25 0.49 0.00 -1.57 0.00 0.00 175.55 174.80 1uj1 s PRO 39 N -3.91 4.19 0.62 0.00 0.02 -1.26 -0.85 135.00 133.81 1uj1 s PRO 39 Ca 0.12 2.45 0.40 0.00 0.02 0.00 0.00 61.00 63.98 1uj1 s PRO 39 Cb -0.00 -3.08 2.07 0.00 0.02 0.00 0.00 34.50 33.52 1uj1 s PRO 39 CO -0.01 -0.55 2.26 0.07 -0.33 0.00 0.00 177.00 178.44 1uj1 h ARG 40 N 5.27 0.00 0.00 5.54 0.11 -1.61 -2.60 114.38 121.09 1uj1 h ARG 40 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1uj1 h ARG 40 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1uj1 h ARG 40 CO 0.81 0.01 0.00 -2.39 0.10 0.00 0.00 179.97 178.50 1uj1 n HIS 41 N -3.20 0.00 0.23 4.08 1.44 -1.26 -1.67 115.22 114.84 1uj1 n HIS 41 Ca -0.02 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 1uj1 n HIS 41 Cb 0.14 0.00 0.57 0.00 0.12 0.00 0.00 29.99 30.81 1uj1 n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 1uj1 h VAL 42 N 0.00 0.82 -0.00 0.61 3.04 -1.85 -1.58 116.25 117.29 1uj1 h VAL 42 Ca 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1uj1 h VAL 42 Cb 0.00 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1uj1 h VAL 42 CO 0.00 0.21 -0.00 2.30 -1.01 0.00 0.00 177.57 179.07 1uj1 n ILE 43 N -3.80 0.00 -4.20 3.17 -5.35 -0.67 -4.53 119.36 103.98 1uj1 n ILE 43 Ca -0.02 -0.02 -0.35 0.00 -0.27 0.00 0.00 62.75 62.09 1uj1 n ILE 43 Cb 0.31 -0.41 -0.09 0.00 -1.74 0.00 0.00 39.64 37.71 1uj1 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1uj1 s THR 45 N -0.71 2.00 0.24 0.00 -4.23 -1.26 -4.86 115.64 106.81 1uj1 s THR 45 Ca 0.12 -0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.56 1uj1 s THR 45 Cb -0.12 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 70.93 1uj1 s THR 45 CO 0.02 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.96 1uj1 h ALA 46 N -1.21 1.17 -0.35 3.99 0.00 -1.99 -2.59 119.26 118.28 1uj1 h ALA 46 Ca -0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1uj1 h ALA 46 Cb 1.30 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1uj1 h ALA 46 CO 0.58 0.65 0.20 1.05 0.00 0.00 0.00 179.25 181.74 1uj1 h GLU 47 N 1.22 0.49 -1.00 0.00 9.09 -2.03 -2.21 114.58 120.13 1uj1 h GLU 47 Ca 0.31 -0.05 0.20 0.00 0.05 0.00 0.00 59.36 59.86 1uj1 h GLU 47 Cb 0.05 -0.10 -0.10 0.00 -1.65 0.00 0.00 28.75 26.94 1uj1 h GLU 47 CO -0.05 0.38 0.61 -0.44 0.05 0.00 0.00 179.01 179.57 1uj1 h ASP 48 N 0.45 0.75 0.00 3.06 3.45 -1.83 -1.40 116.42 120.90 1uj1 h ASP 48 Ca 0.13 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1uj1 h ASP 48 Cb 0.03 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1uj1 h ASP 48 CO -0.02 0.25 0.07 0.23 -1.57 0.00 0.00 179.24 178.21 1uj1 n MET 49 N -4.75 0.11 -0.06 3.56 2.81 -0.83 -1.49 117.12 116.46 1uj1 n MET 49 Ca 0.23 0.59 -0.07 0.00 -1.81 0.00 0.00 57.70 56.65 1uj1 n MET 49 Cb 0.60 -1.93 0.10 0.00 -0.71 0.00 0.00 33.22 31.28 1uj1 n MET 49 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1uj1 h LEU 50 N 0.00 0.73 -5.00 4.03 3.38 -1.33 0.20 115.31 117.32 1uj1 h LEU 50 Ca 0.00 -0.27 -0.17 0.00 0.09 0.00 0.00 57.88 57.53 1uj1 h LEU 50 Cb 0.15 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 40.56 1uj1 h LEU 50 CO 0.00 0.96 -0.33 -3.20 0.09 0.00 0.00 178.44 175.96 1uj1 n ASN 51 N -4.10 -2.32 -4.79 -0.43 5.15 -0.68 -4.68 115.26 103.42 1uj1 n ASN 51 Ca -0.00 -2.83 -0.35 0.00 -0.60 0.00 0.00 54.58 50.80 1uj1 n ASN 51 Cb 0.45 1.48 -0.04 0.00 -0.53 0.00 0.00 39.78 41.14 1uj1 n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1uj1 s PRO 52 N 0.46 3.91 -0.35 1.20 0.04 -0.56 -5.02 135.00 134.68 1uj1 s PRO 52 Ca 0.29 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1uj1 s PRO 52 Cb 0.23 -2.25 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1uj1 s PRO 52 CO -0.18 -0.35 0.08 1.21 0.04 0.00 0.00 177.00 177.80 1uj1 s ASN 53 N -1.82 4.89 0.38 6.66 3.84 -1.26 -4.99 114.94 122.63 1uj1 s ASN 53 Ca 0.64 -2.01 0.07 0.00 0.21 0.00 0.00 52.86 51.77 1uj1 s ASN 53 Cb -0.19 -1.69 0.79 0.00 -0.55 0.00 0.00 41.25 39.62 1uj1 s ASN 53 CO 0.23 -0.40 1.99 1.88 -2.79 0.00 0.00 177.10 178.00 1uj1 h TYR 54 N 7.77 0.68 0.46 0.43 -1.99 -1.98 -1.47 116.97 120.87 1uj1 h TYR 54 Ca -0.09 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 1uj1 h TYR 54 Cb 1.03 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 1uj1 h TYR 54 CO 0.51 0.38 -0.30 0.93 -0.00 0.00 0.00 178.16 179.68 1uj1 h GLU 55 N 0.68 -0.70 -0.54 4.88 4.39 -1.99 0.10 114.58 121.40 1uj1 h GLU 55 Ca 0.27 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.07 1uj1 h GLU 55 Cb 0.20 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1uj1 h GLU 55 CO -0.08 -0.47 0.27 -0.44 -1.16 0.00 0.00 179.01 177.13 1uj1 h ASP 56 N -0.73 0.37 -0.59 1.42 3.45 -1.91 -0.64 116.42 117.78 1uj1 h ASP 56 Ca -0.05 0.04 -0.10 0.00 0.43 0.00 0.00 57.03 57.34 1uj1 h ASP 56 Cb 0.60 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.32 1uj1 h ASP 56 CO 0.04 0.25 -0.03 -0.07 -1.57 0.00 0.00 179.24 177.85 1uj1 h LEU 57 N 0.51 1.06 -0.14 1.55 3.38 -1.11 -3.20 115.31 117.35 1uj1 h LEU 57 Ca 0.25 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1uj1 h LEU 57 Cb 0.18 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1uj1 h LEU 57 CO -0.18 1.12 -0.55 0.25 0.09 0.00 0.00 178.44 179.17 1uj1 h LEU 58 N 0.97 0.72 -2.45 1.67 5.85 -0.49 -3.06 115.31 118.52 1uj1 h LEU 58 Ca 0.16 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1uj1 h LEU 58 Cb 0.60 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1uj1 h LEU 58 CO 0.04 1.22 0.11 -0.29 -0.34 0.00 0.00 178.44 179.17 1uj1 h ILE 59 N 0.27 0.34 -0.00 4.05 2.10 -1.15 0.12 117.51 123.25 1uj1 h ILE 59 Ca -0.03 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1uj1 h ILE 59 Cb 1.18 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1uj1 h ILE 59 CO 0.11 0.00 -0.00 0.54 -1.08 0.00 0.00 178.15 177.72 1uj1 n ARG 60 N -3.58 0.95 -4.06 2.19 1.74 -1.15 -4.84 116.66 107.91 1uj1 n ARG 60 Ca -0.01 -0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.83 1uj1 n ARG 60 Cb 0.20 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1uj1 n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1uj1 s LYS 61 N -2.05 2.41 0.38 5.56 -0.14 0.42 -5.11 119.74 121.21 1uj1 s LYS 61 Ca 0.46 -1.53 0.04 0.00 -1.36 0.00 0.00 55.97 53.59 1uj1 s LYS 61 Cb 0.22 -2.21 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 1uj1 s LYS 61 CO 0.38 0.10 0.15 -1.54 -0.76 0.00 0.00 175.35 173.67 1uj1 s SER 62 N -3.87 2.47 0.38 2.83 1.04 -1.26 -5.01 113.70 110.29 1uj1 s SER 62 Ca 0.38 -1.65 0.06 0.00 0.48 0.00 0.00 55.95 55.22 1uj1 s SER 62 Cb -0.03 0.47 0.76 0.00 0.10 0.00 0.00 66.02 67.32 1uj1 s SER 62 CO 0.23 -0.92 2.00 0.78 0.98 0.00 0.00 173.24 176.30 1uj1 h ASN 63 N 1.90 0.50 0.66 7.02 2.35 -1.95 -0.60 115.58 125.46 1uj1 h ASN 63 Ca -0.34 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1uj1 h ASN 63 Cb 1.26 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1uj1 h ASN 63 CO 0.54 0.43 0.00 0.45 -1.65 0.00 0.00 177.43 177.20 1uj1 h HIS 64 N 0.56 0.00 0.00 1.19 -0.00 -1.96 -2.36 115.15 112.57 1uj1 h HIS 64 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1uj1 h HIS 64 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1uj1 h HIS 64 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.93 178.36 1uj1 n SER 65 N -2.76 0.28 -4.34 2.45 7.64 -0.23 -4.68 113.62 111.97 1uj1 n SER 65 Ca 0.00 0.56 -0.33 0.00 1.01 0.00 0.00 58.87 60.11 1uj1 n SER 65 Cb 0.22 -0.62 -0.14 0.00 -1.01 0.00 0.00 64.21 62.65 1uj1 n SER 65 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1uj1 s PHE 66 N -3.11 2.83 -0.32 1.43 0.08 -0.89 -4.42 117.98 113.58 1uj1 s PHE 66 Ca 0.07 -0.77 -0.05 0.00 0.12 0.00 0.00 56.93 56.31 1uj1 s PHE 66 Cb 0.11 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1uj1 s PHE 66 CO 0.37 -0.32 0.07 -1.17 -0.10 0.00 0.00 175.22 174.07 1uj1 s LEU 67 N 0.62 4.13 -0.08 -0.37 2.96 -0.58 -4.69 118.68 120.67 1uj1 s LEU 67 Ca -0.07 -1.15 0.02 0.00 -0.22 0.00 0.00 54.13 52.71 1uj1 s LEU 67 Cb -0.15 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1uj1 s LEU 67 CO 0.03 -0.29 -0.12 0.68 -1.32 0.00 0.00 176.35 175.32 1uj1 s VAL 68 N 1.36 3.18 -0.02 1.68 -7.23 -1.26 -0.85 120.40 117.26 1uj1 s VAL 68 Ca -0.03 -0.66 0.03 0.00 -1.81 0.00 0.00 61.98 59.52 1uj1 s VAL 68 Cb -0.19 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1uj1 s VAL 68 CO 0.01 0.57 -0.10 -1.10 -0.31 0.00 0.00 175.10 174.17 1uj1 s GLN 69 N -0.37 1.00 -0.40 4.82 -0.21 -0.23 -0.53 119.66 123.74 1uj1 s GLN 69 Ca 0.04 -0.34 -0.08 0.00 0.02 0.00 0.00 55.36 55.00 1uj1 s GLN 69 Cb -0.12 -0.94 0.07 0.00 1.00 0.00 0.00 33.01 33.02 1uj1 s GLN 69 CO 0.02 0.14 0.21 0.00 -2.12 0.00 0.00 175.29 173.55 1uj1 s ALA 70 N 0.10 3.21 0.00 6.09 0.00 0.39 -1.09 121.76 130.47 1uj1 s ALA 70 Ca -0.02 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.86 1uj1 s ALA 70 Cb -0.08 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1uj1 s ALA 70 CO 0.00 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1uj1 n GLY 71 N 4.86 2.14 1.54 0.00 0.00 -1.26 -1.73 105.19 110.74 1uj1 n GLY 71 Ca -0.10 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.64 1uj1 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uj1 n ASN 72 N 5.80 4.71 -4.45 1.61 3.02 -1.26 -4.91 115.26 119.78 1uj1 n ASN 72 Ca 0.00 -2.47 -0.35 0.00 -0.03 0.00 0.00 54.58 51.74 1uj1 n ASN 72 Cb 0.00 -0.57 -0.13 0.00 -0.61 0.00 0.00 39.78 38.47 1uj1 n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uj1 s VAL 73 N -1.88 3.92 0.28 2.41 1.01 -0.71 -5.08 120.40 120.35 1uj1 s VAL 73 Ca 0.50 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1uj1 s VAL 73 Cb 0.33 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 1uj1 s VAL 73 CO 0.24 0.44 1.07 -1.58 0.00 0.00 0.00 175.10 175.26 1uj1 s GLN 74 N 0.91 4.66 -0.20 2.72 0.74 -1.26 -0.46 119.66 126.78 1uj1 s GLN 74 Ca 0.01 1.73 -0.03 0.00 0.05 0.00 0.00 55.36 57.12 1uj1 s GLN 74 Cb -0.14 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.79 1uj1 s GLN 74 CO 0.02 0.25 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.43 1uj1 s LEU 75 N -1.46 2.81 0.03 3.68 1.02 0.30 -4.92 118.68 120.14 1uj1 s LEU 75 Ca 0.44 -0.39 -0.30 0.00 0.02 0.00 0.00 54.13 53.90 1uj1 s LEU 75 Cb -0.30 -1.69 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 1uj1 s LEU 75 CO 0.39 0.03 1.18 -0.60 0.02 0.00 0.00 176.35 177.37 1uj1 s ARG 76 N 1.18 4.42 -0.24 1.70 3.52 -1.26 -4.10 118.95 124.17 1uj1 s ARG 76 Ca 0.02 1.72 -0.19 0.00 -0.13 0.00 0.00 55.73 57.15 1uj1 s ARG 76 Cb -0.14 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 1uj1 s ARG 76 CO -0.02 -0.29 0.55 0.54 -0.81 0.00 0.00 175.30 175.27 1uj1 s VAL 77 N 1.38 5.06 -1.73 7.11 0.11 -1.26 -0.86 120.40 130.20 1uj1 s VAL 77 Ca 0.58 0.98 0.15 0.00 -2.93 0.00 0.00 61.98 60.76 1uj1 s VAL 77 Cb -0.28 -3.86 0.21 0.00 -1.53 0.00 0.00 36.38 30.92 1uj1 s VAL 77 CO 0.27 0.10 1.10 -0.38 -3.33 0.00 0.00 175.10 172.86 1uj1 n ILE 78 N 4.95 0.31 -3.63 7.04 5.41 -0.06 -4.65 119.36 128.73 1uj1 n ILE 78 Ca -0.03 -0.65 -0.03 0.00 1.00 0.00 0.00 62.75 63.03 1uj1 n ILE 78 Cb 0.50 1.07 -0.04 0.00 -0.71 0.00 0.00 39.64 40.46 1uj1 n ILE 78 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1uj1 s GLY 79 N -1.20 0.01 0.06 7.39 0.00 -1.14 -4.95 107.32 107.49 1uj1 s GLY 79 Ca 0.22 2.62 -0.08 0.00 0.00 0.00 0.00 44.72 47.48 1uj1 s GLY 79 CO 0.20 1.05 0.17 -2.38 0.00 0.00 0.00 173.10 172.14 1uj1 s HIS 80 N -1.14 0.14 -0.03 1.90 -3.43 -1.26 -0.56 115.29 110.92 1uj1 s HIS 80 Ca 0.07 -0.49 -0.29 0.00 -0.80 0.00 0.00 55.06 53.56 1uj1 s HIS 80 Cb -0.01 -0.07 0.10 0.00 -1.43 0.00 0.00 32.58 31.17 1uj1 s HIS 80 CO -0.06 -0.48 0.90 -1.54 -2.00 0.00 0.00 174.74 171.56 1uj1 s SER 81 N -2.51 -0.37 -0.08 7.38 1.04 -0.43 -4.99 113.70 113.75 1uj1 s SER 81 Ca 0.00 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 1uj1 s SER 81 Cb 0.02 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1uj1 s SER 81 CO -0.08 -0.59 -0.03 -0.32 0.98 0.00 0.00 173.24 173.21 1uj1 s MET 82 N -2.86 2.88 -0.27 4.02 1.75 -1.26 0.27 119.30 123.83 1uj1 s MET 82 Ca 0.04 -0.47 -0.03 0.00 -1.25 0.00 0.00 55.69 53.98 1uj1 s MET 82 Cb -0.01 -2.71 0.09 0.00 2.84 0.00 0.00 34.83 35.04 1uj1 s MET 82 CO -0.07 0.69 0.09 -1.14 -0.65 0.00 0.00 175.02 173.93 1uj1 s GLN 83 N -0.88 0.49 5.62 4.11 0.74 -0.05 -4.95 119.66 124.73 1uj1 s GLN 83 Ca 0.13 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.87 1uj1 s GLN 83 Cb -0.11 -1.74 0.00 0.00 1.10 0.00 0.00 33.01 32.26 1uj1 s GLN 83 CO 0.02 -0.89 0.00 0.09 -0.55 0.00 0.00 175.29 173.96 1uj1 n ASN 84 N 5.05 0.00 -1.64 6.67 3.02 -1.26 -1.01 115.26 126.10 1uj1 n ASN 84 Ca -0.05 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.57 1uj1 n ASN 84 Cb 0.44 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.96 1uj1 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uj1 s LEU 86 N -2.17 3.26 -0.12 0.00 1.43 -0.18 -1.76 118.68 119.15 1uj1 s LEU 86 Ca 0.48 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1uj1 s LEU 86 Cb 0.34 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1uj1 s LEU 86 CO 0.17 0.16 -0.04 -0.22 0.23 0.00 0.00 176.35 176.65 1uj1 s LEU 87 N -2.42 3.28 -0.19 1.79 0.20 -0.03 -0.87 118.68 120.45 1uj1 s LEU 87 Ca 0.24 -0.06 -0.02 0.00 0.69 0.00 0.00 54.13 54.99 1uj1 s LEU 87 Cb -0.11 -1.77 -0.00 0.00 -0.43 0.00 0.00 46.19 43.88 1uj1 s LEU 87 CO 0.17 0.25 -0.10 -0.13 -0.29 0.00 0.00 176.35 176.24 1uj1 s ARG 88 N -0.11 3.30 -0.19 1.98 0.52 0.14 -2.36 118.95 122.22 1uj1 s ARG 88 Ca 0.02 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1uj1 s ARG 88 Cb -0.13 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.55 1uj1 s ARG 88 CO 0.02 -0.08 -0.16 -0.51 0.02 0.00 0.00 175.30 174.59 1uj1 s LEU 89 N 1.11 2.38 0.03 2.53 1.43 0.14 -1.31 118.68 124.99 1uj1 s LEU 89 Ca 0.01 -0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 52.20 1uj1 s LEU 89 Cb -0.14 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1uj1 s LEU 89 CO -0.03 -0.02 0.73 -0.75 0.23 0.00 0.00 176.35 176.51 1uj1 s LYS 90 N 1.31 4.46 0.31 1.70 2.20 0.28 -0.06 119.74 129.94 1uj1 s LYS 90 Ca 0.04 0.99 0.10 0.00 -0.36 0.00 0.00 55.97 56.75 1uj1 s LYS 90 Cb -0.14 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1uj1 s LYS 90 CO -0.11 0.28 -0.08 0.14 -0.36 0.00 0.00 175.35 175.23 1uj1 s VAL 91 N -0.01 2.67 -1.53 4.02 -7.23 -0.14 -0.88 120.40 117.29 1uj1 s VAL 91 Ca 0.37 -2.14 0.28 0.00 -1.81 0.00 0.00 61.98 58.68 1uj1 s VAL 91 Cb -0.20 -2.62 0.54 0.00 0.56 0.00 0.00 36.38 34.66 1uj1 s VAL 91 CO 0.22 -0.30 1.96 -0.90 -0.31 0.00 0.00 175.10 175.77 1uj1 n ASP 92 N -0.81 0.00 -4.27 4.85 5.68 -0.04 -4.80 116.55 117.15 1uj1 n ASP 92 Ca -0.05 -0.25 -0.19 0.00 -0.50 0.00 0.00 54.79 53.80 1uj1 n ASP 92 Cb 0.61 -0.23 -0.11 0.00 -1.14 0.00 0.00 41.12 40.25 1uj1 n ASP 92 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1uj1 s THR 93 N -2.47 1.50 0.01 2.12 -4.23 -1.26 -5.06 115.64 106.25 1uj1 s THR 93 Ca 0.29 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 1uj1 s THR 93 Cb 0.19 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 1uj1 s THR 93 CO 0.40 -0.39 0.16 -0.55 -0.54 0.00 0.00 174.62 173.70 1uj1 s SER 94 N -2.54 6.19 -0.49 3.99 0.15 -1.26 -4.48 113.70 115.25 1uj1 s SER 94 Ca 0.11 0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.78 1uj1 s SER 94 Cb -0.05 -1.89 0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1uj1 s SER 94 CO 0.04 0.24 0.98 0.21 1.20 0.00 0.00 173.24 175.91 1uj1 s ASN 95 N -2.02 6.48 0.07 5.45 2.47 0.63 -4.90 114.94 123.12 1uj1 s ASN 95 Ca 0.28 0.06 0.17 0.00 0.42 0.00 0.00 52.86 53.78 1uj1 s ASN 95 Cb -0.13 -2.47 0.72 0.00 -1.45 0.00 0.00 41.25 37.92 1uj1 s ASN 95 CO 0.19 -1.15 1.53 -0.81 -3.72 0.00 0.00 177.10 173.15 1uj1 n PRO 96 N 7.42 0.05 -0.24 0.43 -0.04 -1.26 -1.90 135.00 139.46 1uj1 n PRO 96 Ca 0.06 0.30 0.07 0.00 -0.04 0.00 0.00 63.50 63.89 1uj1 n PRO 96 Cb 0.48 -1.60 0.21 0.00 -0.04 0.00 0.00 33.50 32.55 1uj1 n PRO 96 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1uj1 n LYS 97 N -1.70 2.10 -1.89 0.54 5.02 -1.26 -4.92 118.16 116.04 1uj1 n LYS 97 Ca 0.03 -1.68 -0.42 0.00 -2.02 0.00 0.00 58.31 54.22 1uj1 n LYS 97 Cb 0.19 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1uj1 n LYS 97 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1uj1 s THR 98 N -1.39 2.73 0.68 -0.18 2.01 -0.80 -4.80 115.64 113.90 1uj1 s THR 98 Ca 0.31 0.39 -0.02 0.00 0.31 0.00 0.00 61.69 62.68 1uj1 s THR 98 Cb 0.16 -3.25 0.09 0.00 0.01 0.00 0.00 72.50 69.52 1uj1 s THR 98 CO 0.21 0.01 0.95 -2.16 -0.69 0.00 0.00 174.62 172.95 1uj1 s PRO 99 N 1.91 1.97 0.22 4.92 0.04 -1.26 -5.01 135.00 137.79 1uj1 s PRO 99 Ca 0.73 -0.80 -0.30 0.00 0.04 0.00 0.00 61.00 60.67 1uj1 s PRO 99 Cb -0.43 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 31.70 1uj1 s PRO 99 CO 0.32 -1.25 1.47 0.15 0.04 0.00 0.00 177.00 177.73 1uj1 s LYS 100 N -5.10 4.26 0.21 4.56 -0.14 -1.26 -4.92 119.74 117.35 1uj1 s LYS 100 Ca 0.63 2.30 -0.10 0.00 -1.36 0.00 0.00 55.97 57.44 1uj1 s LYS 100 Cb -0.08 -3.13 -0.01 0.00 -1.68 0.00 0.00 37.83 32.93 1uj1 s LYS 100 CO 0.43 -0.47 0.36 1.52 -0.76 0.00 0.00 175.35 176.43 1uj1 s TYR 101 N 0.36 0.46 0.03 3.18 -0.85 -1.26 -0.71 117.35 118.57 1uj1 s TYR 101 Ca 0.62 -0.80 -0.09 0.00 -0.52 0.00 0.00 57.07 56.28 1uj1 s TYR 101 Cb -0.42 0.01 0.00 0.00 0.38 0.00 0.00 41.96 41.93 1uj1 s TYR 101 CO 0.39 -0.84 0.19 0.15 -1.52 0.00 0.00 175.55 173.93 1uj1 s LYS 102 N -4.01 0.67 -0.23 -3.49 3.01 0.39 -4.87 119.74 111.21 1uj1 s LYS 102 Ca 0.22 -0.59 -0.07 0.00 -1.01 0.00 0.00 55.97 54.52 1uj1 s LYS 102 Cb 0.02 0.28 -0.03 0.00 -1.01 0.00 0.00 37.83 37.09 1uj1 s LYS 102 CO 0.05 -0.19 0.05 -0.06 0.51 0.00 0.00 175.35 175.71 1uj1 s PHE 103 N -2.41 3.08 0.08 3.18 2.99 -1.26 -0.38 117.98 123.25 1uj1 s PHE 103 Ca -0.06 -0.42 0.04 0.00 0.00 0.00 0.00 56.93 56.49 1uj1 s PHE 103 Cb -0.02 -2.18 -0.03 0.00 0.00 0.00 0.00 43.02 40.79 1uj1 s PHE 103 CO -0.03 -0.29 -0.11 0.14 -0.00 0.00 0.00 175.22 174.93 1uj1 s VAL 104 N 1.34 0.91 -0.24 -0.44 -7.23 -0.20 -4.94 120.40 109.60 1uj1 s VAL 104 Ca 0.05 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 58.73 1uj1 s VAL 104 Cb -0.15 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 1uj1 s VAL 104 CO 0.03 -0.42 0.05 -0.60 -0.31 0.00 0.00 175.10 173.84 1uj1 s ARG 105 N -2.23 3.62 0.53 4.82 3.52 -1.26 -4.20 118.95 123.75 1uj1 s ARG 105 Ca 0.00 -0.50 -0.00 0.00 -0.13 0.00 0.00 55.73 55.10 1uj1 s ARG 105 Cb -0.06 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 1uj1 s ARG 105 CO 0.01 -0.17 0.76 0.96 -0.81 0.00 0.00 175.30 176.05 1uj1 s ILE 106 N 1.53 3.25 0.07 4.11 -4.36 -1.26 -5.09 121.20 119.46 1uj1 s ILE 106 Ca 0.06 -0.51 0.01 0.00 -0.26 0.00 0.00 60.65 59.96 1uj1 s ILE 106 Cb -0.15 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 1uj1 s ILE 106 CO 0.02 -0.18 0.17 -1.10 0.24 0.00 0.00 174.94 174.10 1uj1 s GLN 107 N -4.74 3.24 0.31 0.37 -1.52 -1.26 -5.04 119.66 111.02 1uj1 s GLN 107 Ca 0.54 -0.54 -0.28 0.00 -1.95 0.00 0.00 55.36 53.13 1uj1 s GLN 107 Cb -0.10 -2.92 -0.13 0.00 -0.22 0.00 0.00 33.01 29.63 1uj1 s GLN 107 CO 0.39 0.59 1.09 -2.30 -0.25 0.00 0.00 175.29 174.81 1uj1 n PRO 108 N 0.29 1.56 0.00 2.91 -0.02 -1.26 -1.79 135.00 136.69 1uj1 n PRO 108 Ca -0.06 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1uj1 n PRO 108 Cb 0.51 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1uj1 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uj1 n GLY 109 N 1.09 2.59 3.84 -1.23 0.00 -0.03 -4.93 105.19 106.53 1uj1 n GLY 109 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1uj1 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uj1 s GLN 110 N -0.24 3.66 0.29 1.61 -0.21 -0.74 -4.70 119.66 119.33 1uj1 s GLN 110 Ca 0.00 0.98 0.08 0.00 0.02 0.00 0.00 55.36 56.44 1uj1 s GLN 110 Cb 0.00 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 1uj1 s GLN 110 CO 0.00 -0.52 0.17 0.95 -2.12 0.00 0.00 175.29 173.77 1uj1 s THR 111 N -2.72 3.74 0.13 -0.19 -4.23 -1.26 -0.98 115.64 110.14 1uj1 s THR 111 Ca 0.59 -1.56 -0.25 0.00 -1.18 0.00 0.00 61.69 59.29 1uj1 s THR 111 Cb -0.12 -3.15 0.07 0.00 1.34 0.00 0.00 72.50 70.64 1uj1 s THR 111 CO 0.39 -0.28 0.93 0.72 -0.54 0.00 0.00 174.62 175.83 1uj1 s PHE 112 N -2.27 -0.18 -0.01 3.99 -0.12 0.07 -4.92 117.98 114.54 1uj1 s PHE 112 Ca 0.35 -0.11 -0.00 0.00 -0.05 0.00 0.00 56.93 57.12 1uj1 s PHE 112 Cb -0.06 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1uj1 s PHE 112 CO 0.24 -0.80 0.07 -1.12 -0.05 0.00 0.00 175.22 173.56 1uj1 s SER 113 N -2.86 5.62 -0.08 1.98 0.01 0.66 -0.95 113.70 118.07 1uj1 s SER 113 Ca 0.11 0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.55 1uj1 s SER 113 Cb -0.02 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1uj1 s SER 113 CO 0.00 0.28 -0.21 -0.69 0.41 0.00 0.00 173.24 173.03 1uj1 s VAL 114 N -1.17 1.80 -0.59 3.43 1.01 -0.14 0.10 120.40 124.84 1uj1 s VAL 114 Ca 0.22 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1uj1 s VAL 114 Cb -0.12 -1.56 0.13 0.00 0.00 0.00 0.00 36.38 34.83 1uj1 s VAL 114 CO 0.13 0.50 0.61 -0.22 0.00 0.00 0.00 175.10 176.13 1uj1 s LEU 115 N 0.28 5.93 0.03 3.92 2.96 -0.98 -1.84 118.68 128.98 1uj1 s LEU 115 Ca -0.14 -1.75 -0.30 0.00 -0.22 0.00 0.00 54.13 51.72 1uj1 s LEU 115 Cb -0.16 -2.25 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 1uj1 s LEU 115 CO 0.06 -0.93 1.58 0.00 -1.32 0.00 0.00 176.35 175.74 1uj1 s ALA 116 N 1.89 3.65 0.14 5.97 0.00 0.28 -4.23 121.76 129.45 1uj1 s ALA 116 Ca 0.08 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.18 1uj1 s ALA 116 Cb -0.25 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 1uj1 s ALA 116 CO 0.03 -1.09 -0.13 0.00 0.00 0.00 0.00 175.76 174.57 1uj1 s TYR 118 N -2.56 0.82 -1.30 0.00 2.02 -0.27 -4.20 117.35 111.85 1uj1 s TYR 118 Ca 0.13 -0.25 -0.09 0.00 -0.37 0.00 0.00 57.07 56.49 1uj1 s TYR 118 Cb -0.02 -0.75 0.07 0.00 -0.40 0.00 0.00 41.96 40.85 1uj1 s TYR 118 CO 0.03 -0.24 0.49 0.09 -1.57 0.00 0.00 175.55 174.35 1uj1 n ASN 119 N 4.29 -3.88 0.00 2.29 5.03 -1.26 -0.37 115.26 121.36 1uj1 n ASN 119 Ca -0.21 -0.38 0.00 0.00 0.87 0.00 0.00 54.58 54.87 1uj1 n ASN 119 Cb 0.51 -3.20 0.00 0.00 -1.02 0.00 0.00 39.78 36.06 1uj1 n ASN 119 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uj1 n GLY 120 N -1.19 0.59 3.36 7.41 0.00 -1.26 -4.57 105.19 109.53 1uj1 n GLY 120 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1uj1 n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uj1 s SER 121 N -2.13 3.92 0.14 1.61 0.15 0.50 -4.39 113.70 113.50 1uj1 s SER 121 Ca 0.00 -0.34 -0.32 0.00 0.70 0.00 0.00 55.95 55.99 1uj1 s SER 121 Cb 0.00 -1.55 -0.11 0.00 -1.71 0.00 0.00 66.02 62.64 1uj1 s SER 121 CO 0.00 0.17 1.80 -2.65 1.20 0.00 0.00 173.24 173.76 1uj1 n PRO 122 N 3.47 2.75 -0.06 5.44 -0.02 -1.26 -1.11 135.00 144.20 1uj1 n PRO 122 Ca -0.18 1.00 -0.09 0.00 -2.02 0.00 0.00 63.50 62.20 1uj1 n PRO 122 Cb 0.53 -2.87 -0.05 0.00 -0.02 0.00 0.00 33.50 31.09 1uj1 n PRO 122 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1uj1 n SER 123 N 5.08 2.26 -3.60 2.55 2.88 0.60 -4.92 113.62 118.47 1uj1 n SER 123 Ca 0.18 0.02 -0.05 0.00 -1.33 0.00 0.00 58.87 57.69 1uj1 n SER 123 Cb 0.36 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 1uj1 n SER 123 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uj1 s GLY 124 N -5.12 -0.36 0.00 0.46 0.00 -1.07 -5.01 107.32 96.23 1uj1 s GLY 124 Ca -0.15 0.91 0.07 0.00 0.00 0.00 0.00 44.72 45.55 1uj1 s GLY 124 CO 0.23 0.28 -0.21 0.54 0.00 0.00 0.00 173.10 173.94 1uj1 s VAL 125 N -2.86 1.64 0.06 1.40 0.11 -1.26 -0.56 120.40 118.93 1uj1 s VAL 125 Ca 0.09 -0.98 -0.07 0.00 -2.93 0.00 0.00 61.98 58.10 1uj1 s VAL 125 Cb -0.00 -1.38 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1uj1 s VAL 125 CO -0.05 0.38 0.13 -0.72 -3.33 0.00 0.00 175.10 171.52 1uj1 s TYR 126 N -0.58 0.21 -0.16 1.54 -0.85 -0.77 -4.98 117.35 111.77 1uj1 s TYR 126 Ca 0.08 -0.60 -0.07 0.00 -0.52 0.00 0.00 57.07 55.95 1uj1 s TYR 126 Cb -0.08 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 1uj1 s TYR 126 CO 0.00 -0.46 0.10 -1.14 -1.52 0.00 0.00 175.55 172.53 1uj1 s GLN 127 N -3.41 3.76 0.30 -3.49 2.00 -1.26 -0.97 119.66 116.59 1uj1 s GLN 127 Ca 0.02 -0.25 -0.03 0.00 -2.00 0.00 0.00 55.36 53.10 1uj1 s GLN 127 Cb 0.03 -3.22 -0.01 0.00 0.80 0.00 0.00 33.01 30.61 1uj1 s GLN 127 CO -0.08 0.49 0.39 0.00 -0.50 0.00 0.00 175.29 175.59 1uj1 s ALA 129 N -3.49 2.00 -0.26 0.00 0.00 -1.26 -0.75 121.76 117.99 1uj1 s ALA 129 Ca 0.32 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 1uj1 s ALA 129 Cb 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 1uj1 s ALA 129 CO 0.17 0.44 1.27 1.41 0.00 0.00 0.00 175.76 179.05 1uj1 s MET 130 N -1.58 4.03 0.89 0.00 0.00 -0.15 -4.61 119.30 117.87 1uj1 s MET 130 Ca 0.09 1.36 -0.11 0.00 0.00 0.00 0.00 55.69 57.04 1uj1 s MET 130 Cb -0.10 -3.83 0.13 0.00 0.00 0.00 0.00 34.83 31.03 1uj1 s MET 130 CO 0.03 -0.97 1.11 1.03 0.00 0.00 0.00 175.02 176.23 1uj1 s ARG 131 N 3.91 1.26 0.56 4.11 1.81 -0.47 -0.85 118.95 129.28 1uj1 s ARG 131 Ca 0.55 1.29 0.24 0.00 -1.72 0.00 0.00 55.73 56.08 1uj1 s ARG 131 Cb -0.18 -1.77 1.55 0.00 -0.45 0.00 0.00 34.95 34.10 1uj1 s ARG 131 CO 0.19 -2.38 2.19 -1.35 -0.68 0.00 0.00 175.30 173.28 1uj1 h PRO 132 N -1.67 0.00 -0.59 3.54 0.11 -1.88 -1.20 132.00 130.31 1uj1 h PRO 132 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1uj1 h PRO 132 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1uj1 h PRO 132 CO 0.47 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.53 1uj1 n ASN 133 N -4.16 2.97 0.00 -2.05 6.94 -1.26 -4.90 115.26 112.79 1uj1 n ASN 133 Ca -0.02 -2.25 0.00 0.00 -0.02 0.00 0.00 54.58 52.29 1uj1 n ASN 133 Cb 0.13 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 1uj1 n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1uj1 n HIS 134 N 0.57 0.00 -2.85 -2.53 8.25 -0.45 -4.58 115.22 113.63 1uj1 n HIS 134 Ca 0.15 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.40 1uj1 n HIS 134 Cb 0.57 -1.00 0.07 0.00 1.12 0.00 0.00 29.99 30.75 1uj1 n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1uj1 s THR 135 N -1.56 2.28 -0.01 1.59 -4.23 -1.26 -4.67 115.64 107.78 1uj1 s THR 135 Ca 0.00 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1uj1 s THR 135 Cb 0.00 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1uj1 s THR 135 CO 0.00 0.00 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.54 1uj1 s ILE 136 N -2.80 0.27 0.01 2.99 2.07 -0.89 -1.37 121.20 121.47 1uj1 s ILE 136 Ca 0.62 -0.12 -0.21 0.00 -1.41 0.00 0.00 60.65 59.54 1uj1 s ILE 136 Cb -0.06 -0.25 -0.06 0.00 0.13 0.00 0.00 42.46 42.22 1uj1 s ILE 136 CO 0.40 0.09 0.60 -0.54 -1.91 0.00 0.00 174.94 173.58 1uj1 s LYS 137 N 0.07 4.31 0.00 3.50 1.02 -1.26 -1.68 119.74 125.70 1uj1 s LYS 137 Ca -0.00 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.73 1uj1 s LYS 137 Cb -0.03 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1uj1 s LYS 137 CO -0.00 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1uj1 n GLY 138 N 2.35 -0.27 0.06 -3.33 0.00 -1.26 -4.95 105.19 97.78 1uj1 n GLY 138 Ca -0.07 0.58 0.02 0.00 0.00 0.00 0.00 46.02 46.55 1uj1 n GLY 138 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uj1 n SER 139 N 0.00 0.11 -0.12 1.61 7.64 -1.26 -0.47 113.62 121.13 1uj1 n SER 139 Ca 0.00 0.37 0.15 0.00 1.01 0.00 0.00 58.87 60.40 1uj1 n SER 139 Cb 0.00 -0.34 0.76 0.00 -1.01 0.00 0.00 64.21 63.61 1uj1 n SER 139 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1uj1 n PHE 140 N -1.54 0.00 1.21 1.43 3.01 -1.26 -2.96 117.46 117.35 1uj1 n PHE 140 Ca -0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.59 1uj1 n PHE 140 Cb 0.27 -0.08 0.43 0.00 -0.01 0.00 0.00 39.48 40.09 1uj1 n PHE 140 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1uj1 n LEU 141 N -0.81 0.65 -4.69 4.37 4.77 0.37 -4.75 117.00 116.92 1uj1 n LEU 141 Ca 0.19 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1uj1 n LEU 141 Cb 0.22 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1uj1 n LEU 141 CO 0.20 0.13 1.23 0.20 -1.33 0.00 0.00 177.39 177.82 1uj1 s ASN 142 N -2.66 6.70 0.00 -1.43 0.01 -1.16 -2.44 114.94 113.96 1uj1 s ASN 142 Ca 0.22 2.37 0.00 0.00 -0.71 0.00 0.00 52.86 54.74 1uj1 s ASN 142 Cb 0.19 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1uj1 s ASN 142 CO 0.55 -0.81 0.00 0.61 -1.51 0.00 0.00 177.10 175.95 1uj1 n GLY 143 N 3.81 0.69 1.60 0.66 0.00 -1.26 -4.90 105.19 105.79 1uj1 n GLY 143 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 1uj1 n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uj1 n SER 144 N -0.06 3.62 -4.57 1.61 3.41 -1.02 -4.73 113.62 111.88 1uj1 n SER 144 Ca 0.00 -3.48 -0.51 0.00 -0.26 0.00 0.00 58.87 54.63 1uj1 n SER 144 Cb 0.03 -0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 63.23 1uj1 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uj1 n GLY 146 N 2.13 1.47 3.76 0.00 0.00 -0.56 -1.15 105.19 110.84 1uj1 n GLY 146 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1uj1 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uj1 s SER 147 N -2.13 5.85 0.29 1.61 0.01 0.70 -4.48 113.70 115.54 1uj1 s SER 147 Ca 0.00 2.50 0.10 0.00 1.31 0.00 0.00 55.95 59.86 1uj1 s SER 147 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1uj1 s SER 147 CO 0.00 -1.16 -0.05 0.68 0.41 0.00 0.00 173.24 173.12 1uj1 s VAL 148 N -1.43 3.01 0.06 3.43 -7.23 -1.26 -1.43 120.40 115.55 1uj1 s VAL 148 Ca 0.66 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.83 1uj1 s VAL 148 Cb -0.34 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 1uj1 s VAL 148 CO 0.41 -0.34 -0.08 -0.83 -0.31 0.00 0.00 175.10 173.94 1uj1 s GLY 149 N -3.64 1.78 0.26 2.32 0.00 0.87 -2.32 107.32 106.58 1uj1 s GLY 149 Ca 0.32 -1.14 -0.22 0.00 0.00 0.00 0.00 44.72 43.68 1uj1 s GLY 149 CO 0.18 -1.07 0.78 -0.11 0.00 0.00 0.00 173.10 172.89 1uj1 s PHE 150 N -1.12 -0.16 0.08 1.90 -0.12 0.12 -0.91 117.98 117.76 1uj1 s PHE 150 Ca 0.20 -0.28 0.02 0.00 -0.05 0.00 0.00 56.93 56.82 1uj1 s PHE 150 Cb -0.11 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 1uj1 s PHE 150 CO 0.11 -1.16 -0.07 -0.80 -0.05 0.00 0.00 175.22 173.25 1uj1 s ASN 151 N -2.94 1.06 -0.08 1.98 0.01 -0.86 -0.24 114.94 113.86 1uj1 s ASN 151 Ca 0.12 -0.83 0.01 0.00 -0.71 0.00 0.00 52.86 51.45 1uj1 s ASN 151 Cb -0.05 0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.70 1uj1 s ASN 151 CO 0.06 -0.36 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.56 1uj1 s ILE 152 N -2.72 1.06 -0.33 0.60 1.01 -1.26 -0.71 121.20 118.84 1uj1 s ILE 152 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1uj1 s ILE 152 Cb -0.01 -1.01 0.07 0.00 0.01 0.00 0.00 42.46 41.52 1uj1 s ILE 152 CO -0.03 0.35 0.05 -0.62 0.00 0.00 0.00 174.94 174.70 1uj1 s ASP 153 N 1.02 4.96 1.40 3.58 2.15 -0.46 -4.96 116.67 124.37 1uj1 s ASP 153 Ca -0.08 -1.54 0.00 0.00 0.43 0.00 0.00 52.55 51.36 1uj1 s ASP 153 Cb -0.15 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 1uj1 s ASP 153 CO -0.01 -0.34 0.00 -1.22 -0.17 0.00 0.00 175.17 173.43 1uj1 n TYR 154 N 4.58 0.00 0.33 -5.34 4.01 -1.26 -1.04 117.16 118.44 1uj1 n TYR 154 Ca -0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.69 1uj1 n TYR 154 Cb 0.43 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.49 1uj1 n TYR 154 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1uj1 n ASP 155 N 10.09 1.65 -4.66 7.72 5.75 -1.26 -4.99 116.55 130.85 1uj1 n ASP 155 Ca 0.00 -1.33 -0.38 0.00 -0.01 0.00 0.00 54.79 53.08 1uj1 n ASP 155 Cb 0.00 0.01 -0.08 0.00 -1.03 0.00 0.00 41.12 40.02 1uj1 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uj1 s VAL 157 N 1.32 5.08 -0.48 0.00 1.01 0.11 -1.35 120.40 126.09 1uj1 s VAL 157 Ca 0.15 0.92 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 1uj1 s VAL 157 Cb -0.14 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.49 1uj1 s VAL 157 CO 0.07 0.12 0.41 -0.44 0.00 0.00 0.00 175.10 175.26 1uj1 s SER 158 N 1.37 6.11 0.03 3.32 0.01 0.11 -0.46 113.70 124.19 1uj1 s SER 158 Ca 0.23 -1.47 -0.30 0.00 1.31 0.00 0.00 55.95 55.71 1uj1 s SER 158 Cb -0.15 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1uj1 s SER 158 CO 0.09 -0.69 1.05 -0.36 0.41 0.00 0.00 173.24 173.74 1uj1 s PHE 159 N 1.61 3.60 0.00 2.43 0.08 0.48 -2.04 117.98 124.14 1uj1 s PHE 159 Ca 0.04 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.66 1uj1 s PHE 159 Cb -0.26 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 38.98 1uj1 s PHE 159 CO 0.05 -0.42 0.12 0.00 -0.10 0.00 0.00 175.22 174.87 1uj1 s TYR 161 N -0.36 -0.52 -0.05 0.00 5.04 -1.10 -4.36 117.35 116.00 1uj1 s TYR 161 Ca 0.00 1.05 0.01 0.00 -2.44 0.00 0.00 57.07 55.69 1uj1 s TYR 161 Cb 0.00 0.25 0.02 0.00 0.35 0.00 0.00 41.96 42.58 1uj1 s TYR 161 CO 0.00 -0.43 -0.05 1.41 -1.34 0.00 0.00 175.55 175.14 1uj1 s MET 162 N -0.63 0.91 0.21 4.97 -2.45 0.12 -0.09 119.30 122.34 1uj1 s MET 162 Ca -0.07 -0.11 -0.30 0.00 -1.25 0.00 0.00 55.69 53.95 1uj1 s MET 162 Cb -0.03 -0.94 -0.08 0.00 1.25 0.00 0.00 34.83 35.03 1uj1 s MET 162 CO 0.05 -0.11 1.11 -1.58 1.05 0.00 0.00 175.02 175.54 1uj1 s HIS 163 N 1.06 3.58 0.00 4.11 2.46 -0.51 -0.82 115.29 125.16 1uj1 s HIS 163 Ca -0.09 1.62 0.00 0.00 0.47 0.00 0.00 55.06 57.06 1uj1 s HIS 163 Cb -0.14 -3.29 0.00 0.00 -0.13 0.00 0.00 32.58 29.02 1uj1 s HIS 163 CO -0.01 -0.64 0.00 0.72 -2.47 0.00 0.00 174.74 172.35 1uj1 n HIS 164 N 2.01 0.00 -4.32 3.88 8.25 -0.85 -1.50 115.22 122.70 1uj1 n HIS 164 Ca 0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.28 1uj1 n HIS 164 Cb 0.46 0.13 -0.13 0.00 1.12 0.00 0.00 29.99 31.57 1uj1 n HIS 164 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1uj1 s MET 165 N -1.90 0.88 -0.28 -0.41 -1.94 -0.51 -4.89 119.30 110.25 1uj1 s MET 165 Ca 0.00 -0.75 -0.14 0.00 -1.71 0.00 0.00 55.69 53.09 1uj1 s MET 165 Cb 0.00 -0.88 -0.04 0.00 2.01 0.00 0.00 34.83 35.93 1uj1 s MET 165 CO 0.00 0.21 0.34 -1.21 -0.01 0.00 0.00 175.02 174.35 1uj1 s GLU 166 N -1.16 3.94 -0.59 2.03 8.01 -1.26 -1.07 118.70 128.61 1uj1 s GLU 166 Ca 0.01 -0.09 -0.28 0.00 0.01 0.00 0.00 54.97 54.62 1uj1 s GLU 166 Cb -0.08 -3.68 0.03 0.00 -4.31 0.00 0.00 34.13 26.10 1uj1 s GLU 166 CO 0.01 -0.29 1.19 -1.17 0.01 0.00 0.00 175.26 175.01 1uj1 s LEU 167 N 2.00 3.46 -0.40 1.80 2.96 0.12 -4.94 118.68 123.69 1uj1 s LEU 167 Ca 0.13 0.04 -0.34 0.00 -0.22 0.00 0.00 54.13 53.74 1uj1 s LEU 167 Cb -0.16 -3.10 -0.12 0.00 0.50 0.00 0.00 46.19 43.32 1uj1 s LEU 167 CO 0.10 -1.50 2.25 -2.65 -1.32 0.00 0.00 176.35 173.23 1uj1 n PRO 168 N 8.47 1.01 0.00 0.98 -0.02 -1.26 0.19 135.00 144.36 1uj1 n PRO 168 Ca 0.08 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1uj1 n PRO 168 Cb 0.49 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1uj1 n PRO 168 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1uj1 n THR 169 N 7.30 0.00 -2.80 3.45 -2.24 -1.26 -4.74 114.28 113.99 1uj1 n THR 169 Ca 0.43 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1uj1 n THR 169 Cb 0.25 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1uj1 n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uj1 n GLY 170 N 0.00 -1.92 0.49 3.38 0.00 0.13 -5.08 105.19 102.20 1uj1 n GLY 170 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1uj1 n GLY 170 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uj1 n VAL 171 N 0.00 0.00 -4.39 1.61 0.24 -1.26 -3.29 118.33 111.24 1uj1 n VAL 171 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 1uj1 n VAL 171 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 1uj1 n VAL 171 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1uj1 s HIS 172 N -3.65 2.47 0.14 6.34 0.09 -0.68 -0.70 115.29 119.30 1uj1 s HIS 172 Ca 0.00 -0.28 0.08 0.00 -0.00 0.00 0.00 55.06 54.86 1uj1 s HIS 172 Cb 0.00 -1.11 -0.04 0.00 -0.00 0.00 0.00 32.58 31.43 1uj1 s HIS 172 CO 0.00 0.64 -0.19 0.00 -0.00 0.00 0.00 174.74 175.19 1uj1 s ALA 173 N -2.26 1.91 0.00 -1.40 0.00 -0.23 -2.10 121.76 117.68 1uj1 s ALA 173 Ca 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1uj1 s ALA 173 Cb -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1uj1 s ALA 173 CO 0.16 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1uj1 n GLY 174 N 0.62 2.36 3.50 0.00 0.00 -1.26 -1.43 105.19 108.98 1uj1 n GLY 174 Ca -0.16 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 1uj1 n GLY 174 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uj1 s THR 175 N -2.95 0.72 0.77 2.61 -1.32 0.00 -1.15 115.64 114.33 1uj1 s THR 175 Ca 0.00 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.46 1uj1 s THR 175 Cb 0.00 -2.45 0.15 0.00 -1.51 0.00 0.00 72.50 68.70 1uj1 s THR 175 CO 0.00 0.00 1.06 1.51 -2.21 0.00 0.00 174.62 174.98 1uj1 s ASP 176 N -3.57 4.05 -0.00 8.08 1.47 -0.72 0.11 116.67 126.08 1uj1 s ASP 176 Ca 0.27 -0.41 0.01 0.00 1.18 0.00 0.00 52.55 53.59 1uj1 s ASP 176 Cb 0.04 0.17 0.04 0.00 -0.34 0.00 0.00 42.92 42.82 1uj1 s ASP 176 CO 0.14 -2.08 0.88 0.18 0.68 0.00 0.00 175.17 174.97 1uj1 n LEU 177 N -3.00 0.55 -0.48 2.11 7.99 -1.26 -1.19 117.00 121.71 1uj1 n LEU 177 Ca 0.17 -0.28 0.08 0.00 -0.01 0.00 0.00 56.01 55.97 1uj1 n LEU 177 Cb 0.61 -0.18 0.03 0.00 -0.11 0.00 0.00 43.42 43.76 1uj1 n LEU 177 CO 0.42 0.12 0.37 1.21 -1.51 0.00 0.00 177.39 178.00 1uj1 n GLU 178 N -0.25 1.51 -0.64 3.23 4.07 -1.26 -4.98 120.64 122.33 1uj1 n GLU 178 Ca 0.01 -1.09 0.00 0.00 -0.06 0.00 0.00 57.16 56.02 1uj1 n GLU 178 Cb 0.12 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 1uj1 n GLU 178 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1uj1 n GLY 179 N 1.02 0.72 3.62 8.31 0.00 -0.34 -4.44 105.19 114.08 1uj1 n GLY 179 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1uj1 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uj1 s LYS 180 N -0.36 4.06 0.59 1.61 3.01 -1.26 -1.16 119.74 126.22 1uj1 s LYS 180 Ca 0.00 0.19 -0.20 0.00 -1.01 0.00 0.00 55.97 54.95 1uj1 s LYS 180 Cb 0.00 -3.64 -0.04 0.00 -1.01 0.00 0.00 37.83 33.14 1uj1 s LYS 180 CO 0.00 -0.29 1.17 1.19 0.51 0.00 0.00 175.35 177.93 1uj1 n PHE 181 N 5.34 1.58 -3.43 3.18 3.01 -1.26 -1.76 117.46 124.11 1uj1 n PHE 181 Ca -0.06 0.44 -0.37 0.00 1.01 0.00 0.00 57.45 58.46 1uj1 n PHE 181 Cb 0.50 -2.25 -0.07 0.00 -0.01 0.00 0.00 39.48 37.66 1uj1 n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1uj1 s TYR 182 N -1.40 3.48 0.00 1.38 2.02 -0.30 -4.88 117.35 117.66 1uj1 s TYR 182 Ca 0.76 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 58.18 1uj1 s TYR 182 Cb -0.42 -2.44 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 1uj1 s TYR 182 CO 0.47 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 175.05 1uj1 n GLY 183 N 3.36 -0.30 1.48 0.71 0.00 -1.26 -4.42 105.19 104.77 1uj1 n GLY 183 Ca -0.10 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.03 1uj1 n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uj1 n PRO 184 N -0.33 1.36 -3.83 1.61 -0.04 -1.26 -4.92 135.00 127.60 1uj1 n PRO 184 Ca 0.00 -0.79 -0.24 0.00 -0.04 0.00 0.00 63.50 62.44 1uj1 n PRO 184 Cb 0.00 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.13 1uj1 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1uj1 s PHE 185 N -0.89 3.47 0.14 0.54 0.08 -1.26 -5.02 117.98 115.04 1uj1 s PHE 185 Ca 0.15 0.13 0.05 0.00 0.12 0.00 0.00 56.93 57.39 1uj1 s PHE 185 Cb 0.12 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1uj1 s PHE 185 CO 0.01 0.40 -0.12 0.14 -0.10 0.00 0.00 175.22 175.55 1uj1 s VAL 186 N -1.95 1.28 0.00 -0.44 -7.23 -1.26 -4.84 120.40 105.95 1uj1 s VAL 186 Ca 0.36 -1.88 -0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1uj1 s VAL 186 Cb -0.10 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1uj1 s VAL 186 CO 0.30 -0.56 0.57 -0.67 -0.31 0.00 0.00 175.10 174.43 1uj1 n ASP 187 N 0.19 1.08 -3.77 4.85 4.64 -1.26 -4.78 116.55 117.51 1uj1 n ASP 187 Ca -0.13 -1.38 -0.13 0.00 -1.38 0.00 0.00 54.79 51.77 1uj1 n ASP 187 Cb 0.59 -0.24 -0.11 0.00 -1.04 0.00 0.00 41.12 40.31 1uj1 n ASP 187 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 1uj1 s ARG 188 N 1.82 0.34 -1.16 -0.67 3.52 -1.26 -4.87 118.95 116.67 1uj1 s ARG 188 Ca 0.03 0.42 -0.16 0.00 -0.13 0.00 0.00 55.73 55.89 1uj1 s ARG 188 Cb 0.01 0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.50 1uj1 s ARG 188 CO 0.00 -0.05 2.16 1.04 -0.81 0.00 0.00 175.30 177.64 1uj1 n GLN 189 N 3.02 2.32 -4.25 5.12 1.13 0.70 -4.88 117.38 120.54 1uj1 n GLN 189 Ca -0.14 -2.19 -0.14 0.00 -1.94 0.00 0.00 57.00 52.59 1uj1 n GLN 189 Cb 0.58 -3.04 -0.10 0.00 0.11 0.00 0.00 30.24 27.78 1uj1 n GLN 189 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1uj1 s THR 190 N 3.85 1.14 0.06 5.09 -4.23 -1.26 -4.72 115.64 115.57 1uj1 s THR 190 Ca 0.52 -2.06 -0.31 0.00 -1.18 0.00 0.00 61.69 58.67 1uj1 s THR 190 Cb 0.14 -1.89 -0.07 0.00 1.34 0.00 0.00 72.50 72.02 1uj1 s THR 190 CO -0.00 -0.71 1.50 0.00 -0.54 0.00 0.00 174.62 174.87 1uj1 s ALA 191 N -3.35 3.64 -0.18 3.99 0.00 -1.26 -4.86 121.76 119.74 1uj1 s ALA 191 Ca 0.18 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 1uj1 s ALA 191 Cb 0.03 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 19.58 1uj1 s ALA 191 CO 0.01 -0.90 -0.02 -0.65 0.00 0.00 0.00 175.76 174.20 1uj1 s GLN 192 N 2.10 1.18 0.11 0.00 -0.21 -1.26 -5.11 119.66 116.47 1uj1 s GLN 192 Ca 0.68 -0.53 -0.31 0.00 0.02 0.00 0.00 55.36 55.22 1uj1 s GLN 192 Cb -0.36 -2.07 -0.09 0.00 1.00 0.00 0.00 33.01 31.48 1uj1 s GLN 192 CO 0.30 -0.52 1.56 0.00 -2.12 0.00 0.00 175.29 174.51 1uj1 s ALA 193 N 1.68 3.70 -0.18 6.09 0.00 -1.26 -4.91 121.76 126.88 1uj1 s ALA 193 Ca -0.01 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 1uj1 s ALA 193 Cb -0.16 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 1uj1 s ALA 193 CO -0.07 -0.88 0.84 0.00 0.00 0.00 0.00 175.76 175.65 1uj1 s ALA 194 N 1.78 3.54 1.10 0.00 0.00 -1.26 -4.99 121.76 121.93 1uj1 s ALA 194 Ca 0.70 0.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 1uj1 s ALA 194 Cb -0.40 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 19.54 1uj1 s ALA 194 CO 0.31 -0.71 -0.03 0.41 0.00 0.00 0.00 175.76 175.74 1uj1 n GLY 195 N 3.49 -2.49 3.76 0.00 0.00 -1.26 -4.85 105.19 103.83 1uj1 n GLY 195 Ca 0.05 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 1uj1 n GLY 195 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uj1 n THR 196 N -4.29 3.06 -4.09 2.61 -1.04 -1.26 -4.87 114.28 104.40 1uj1 n THR 196 Ca 0.01 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.29 1uj1 n THR 196 Cb 0.62 -1.80 -0.05 0.00 -1.82 0.00 0.00 70.33 67.28 1uj1 n THR 196 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1uj1 s ASP 197 N -0.58 5.60 0.26 8.00 3.68 -1.26 -4.49 116.67 127.88 1uj1 s ASP 197 Ca 0.64 -0.18 0.03 0.00 2.13 0.00 0.00 52.55 55.17 1uj1 s ASP 197 Cb -0.44 -1.46 -0.05 0.00 -1.45 0.00 0.00 42.92 39.51 1uj1 s ASP 197 CO 0.55 -0.00 0.04 0.42 0.13 0.00 0.00 175.17 176.31 1uj1 s THR 198 N -1.99 0.94 0.15 1.71 -4.23 -1.26 -5.01 115.64 105.95 1uj1 s THR 198 Ca 0.32 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.60 1uj1 s THR 198 Cb -0.09 -2.55 -0.08 0.00 1.34 0.00 0.00 72.50 71.12 1uj1 s THR 198 CO 0.25 -0.14 0.70 -0.89 -0.54 0.00 0.00 174.62 173.99 1uj1 s THR 199 N -3.48 4.53 -1.07 3.99 2.01 -0.13 -4.65 115.64 116.84 1uj1 s THR 199 Ca 0.33 1.46 -0.21 0.00 0.31 0.00 0.00 61.69 63.59 1uj1 s THR 199 Cb 0.07 -4.01 0.07 0.00 0.01 0.00 0.00 72.50 68.65 1uj1 s THR 199 CO 0.12 0.48 1.45 -0.63 -0.69 0.00 0.00 174.62 175.34 1uj1 s ILE 200 N -1.21 4.16 0.24 1.82 1.01 -1.26 -1.43 121.20 124.53 1uj1 s ILE 200 Ca 0.35 -1.23 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 1uj1 s ILE 200 Cb -0.21 -5.03 0.31 0.00 0.01 0.00 0.00 42.46 37.54 1uj1 s ILE 200 CO 0.23 -1.86 1.61 0.74 0.00 0.00 0.00 174.94 175.65 1uj1 h THR 201 N 6.27 0.25 -0.85 2.92 2.02 -1.94 -1.28 112.91 120.30 1uj1 h THR 201 Ca 0.25 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.53 1uj1 h THR 201 Cb 0.98 0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 67.54 1uj1 h THR 201 CO 1.37 0.00 0.49 0.25 0.37 0.00 0.00 175.52 178.00 1uj1 h LEU 202 N 0.02 0.69 -0.41 2.58 5.85 -1.89 -1.73 115.31 120.41 1uj1 h LEU 202 Ca 0.38 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.99 1uj1 h LEU 202 Cb 0.61 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1uj1 h LEU 202 CO -0.76 0.38 -0.39 0.78 -0.34 0.00 0.00 178.44 178.11 1uj1 h ASN 203 N 0.80 0.98 -0.69 1.25 4.21 -1.48 -1.96 115.58 118.69 1uj1 h ASN 203 Ca 0.42 -0.45 0.00 0.00 1.21 0.00 0.00 56.30 57.48 1uj1 h ASN 203 Cb 0.42 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 1uj1 h ASN 203 CO -0.26 1.24 0.44 0.58 -1.29 0.00 0.00 177.43 178.14 1uj1 h VAL 204 N 0.75 1.19 -0.75 2.81 2.07 -0.81 -0.40 116.25 121.10 1uj1 h VAL 204 Ca 0.06 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1uj1 h VAL 204 Cb 0.98 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1uj1 h VAL 204 CO 0.09 0.19 0.23 -0.07 0.02 0.00 0.00 177.57 178.04 1uj1 h LEU 205 N 0.94 1.10 -0.86 2.57 3.38 -1.26 -0.20 115.31 120.97 1uj1 h LEU 205 Ca 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1uj1 h LEU 205 Cb -0.07 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1uj1 h LEU 205 CO -0.05 1.01 0.47 0.00 0.09 0.00 0.00 178.44 179.96 1uj1 h ALA 206 N 1.13 1.11 -0.58 1.53 0.00 -0.68 -1.82 119.26 119.94 1uj1 h ALA 206 Ca 0.24 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1uj1 h ALA 206 Cb 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1uj1 h ALA 206 CO -0.01 0.62 0.06 2.35 0.00 0.00 0.00 179.25 182.27 1uj1 h TRP 207 N 1.21 1.06 -0.51 0.00 7.01 -0.54 -0.51 115.95 123.67 1uj1 h TRP 207 Ca 0.30 -0.16 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1uj1 h TRP 207 Cb 0.03 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.78 1uj1 h TRP 207 CO 0.01 0.93 0.20 -0.07 -2.79 0.00 0.00 178.44 176.72 1uj1 h LEU 208 N 0.88 0.66 -0.88 0.65 3.38 -0.78 0.18 115.31 119.40 1uj1 h LEU 208 Ca 0.17 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1uj1 h LEU 208 Cb 0.47 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1uj1 h LEU 208 CO 0.02 0.59 0.05 1.88 0.09 0.00 0.00 178.44 181.08 1uj1 h TYR 209 N 0.72 0.94 -0.10 1.13 0.05 -0.53 -1.39 116.97 117.80 1uj1 h TYR 209 Ca 0.17 -0.12 0.01 0.00 0.05 0.00 0.00 58.73 58.84 1uj1 h TYR 209 Cb 0.14 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1uj1 h TYR 209 CO 0.01 0.83 0.02 0.00 -1.05 0.00 0.00 178.16 177.97 1uj1 h ALA 210 N 1.22 0.10 -0.88 3.88 0.00 0.12 0.14 119.26 123.84 1uj1 h ALA 210 Ca 0.17 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1uj1 h ALA 210 Cb 0.42 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1uj1 h ALA 210 CO 0.01 -0.44 0.53 0.00 0.00 0.00 0.00 179.25 179.35 1uj1 h ALA 211 N 1.06 1.26 -0.12 0.00 0.00 -0.51 -0.27 119.26 120.68 1uj1 h ALA 211 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1uj1 h ALA 211 Cb 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1uj1 h ALA 211 CO -0.05 0.18 -0.02 0.28 0.00 0.00 0.00 179.25 179.64 1uj1 h VAL 212 N 0.89 1.27 0.00 0.00 2.07 -0.23 0.47 116.25 120.73 1uj1 h VAL 212 Ca 0.42 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1uj1 h VAL 212 Cb 0.35 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1uj1 h VAL 212 CO -0.24 0.26 0.00 -0.29 0.02 0.00 0.00 177.57 177.33 1uj1 h ILE 213 N -0.06 0.00 -0.35 4.57 -0.00 -0.29 -0.18 117.51 121.19 1uj1 h ILE 213 Ca 0.03 -0.14 0.00 0.00 -0.00 0.00 0.00 64.86 64.75 1uj1 h ILE 213 Cb 0.41 1.07 0.00 0.00 -0.00 0.00 0.00 36.82 38.30 1uj1 h ILE 213 CO 0.01 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 178.75 1uj1 n ASN 214 N -2.95 2.69 0.00 2.19 3.02 -0.15 -4.94 115.26 115.11 1uj1 n ASN 214 Ca -0.02 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1uj1 n ASN 214 Cb 0.13 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1uj1 n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uj1 n GLY 215 N 1.34 0.79 3.90 7.41 0.00 -0.08 -5.03 105.19 113.51 1uj1 n GLY 215 Ca 0.18 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1uj1 n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uj1 s ASP 216 N -2.06 6.50 0.00 1.61 1.01 0.16 -4.92 116.67 118.96 1uj1 s ASP 216 Ca 0.00 0.65 0.00 0.00 0.71 0.00 0.00 52.55 53.91 1uj1 s ASP 216 Cb 0.00 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1uj1 s ASP 216 CO 0.00 -0.03 0.00 -1.14 0.21 0.00 0.00 175.17 174.21 1uj1 n ARG 217 N -0.22 0.00 0.32 8.23 0.63 -1.26 -3.49 116.66 120.87 1uj1 n ARG 217 Ca -0.02 0.00 0.20 0.00 -0.92 0.00 0.00 57.85 57.11 1uj1 n ARG 217 Cb 0.52 0.00 1.08 0.00 0.45 0.00 0.00 32.46 34.52 1uj1 n ARG 217 CO 0.00 0.00 0.00 0.11 -2.51 0.00 0.00 177.63 175.23 1uj1 h TRP 218 N 0.00 0.00 0.00 -0.14 5.08 -1.97 -2.44 115.95 116.48 1uj1 h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1uj1 h TRP 218 Cb 0.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 1uj1 h TRP 218 CO 0.00 0.01 -0.19 1.97 -1.28 0.00 0.00 178.44 178.94 1uj1 n PHE 219 N -3.38 0.13 -1.31 0.12 1.16 -1.26 -4.90 117.46 108.03 1uj1 n PHE 219 Ca -0.03 0.04 -0.30 0.00 -1.87 0.00 0.00 57.45 55.29 1uj1 n PHE 219 Cb 0.09 -0.48 0.10 0.00 -1.61 0.00 0.00 39.48 37.58 1uj1 n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1uj1 s LEU 220 N -3.24 2.71 0.35 5.98 1.43 -0.92 -4.75 118.68 120.24 1uj1 s LEU 220 Ca 0.12 1.62 -0.03 0.00 -1.03 0.00 0.00 54.13 54.81 1uj1 s LEU 220 Cb 0.17 -4.23 0.01 0.00 0.03 0.00 0.00 46.19 42.18 1uj1 s LEU 220 CO 0.60 -2.19 0.51 0.54 0.23 0.00 0.00 176.35 176.04 1uj1 s ASN 221 N -3.51 0.87 0.00 2.29 2.20 -1.26 -5.04 114.94 110.49 1uj1 s ASN 221 Ca 0.62 -1.47 0.15 0.00 -0.94 0.00 0.00 52.86 51.22 1uj1 s ASN 221 Cb -0.17 0.69 0.48 0.00 -2.00 0.00 0.00 41.25 40.25 1uj1 s ASN 221 CO 0.56 -1.34 1.38 -2.11 -2.94 0.00 0.00 177.10 172.64 1uj1 n ARG 222 N -0.57 1.84 -2.95 3.55 1.85 -1.26 -4.94 116.66 114.18 1uj1 n ARG 222 Ca 0.00 -1.29 -0.19 0.00 -1.00 0.00 0.00 57.85 55.37 1uj1 n ARG 222 Cb 0.61 -1.33 0.05 0.00 -1.05 0.00 0.00 32.46 30.74 1uj1 n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1uj1 s PHE 223 N -1.60 2.01 0.21 2.89 0.40 -1.26 -5.13 117.98 115.50 1uj1 s PHE 223 Ca 0.28 -0.51 0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1uj1 s PHE 223 Cb 0.15 -2.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 1uj1 s PHE 223 CO 0.21 -0.95 0.19 -2.37 0.70 0.00 0.00 175.22 172.99 1uj1 n THR 224 N -2.18 0.00 -3.46 0.64 5.66 -1.26 -4.65 114.28 109.02 1uj1 n THR 224 Ca 0.12 -1.50 -0.11 0.00 -3.05 0.00 0.00 64.05 59.51 1uj1 n THR 224 Cb 0.60 0.76 -0.02 0.00 -1.55 0.00 0.00 70.33 70.12 1uj1 n THR 224 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1uj1 s THR 225 N -2.84 0.00 0.40 1.09 -1.32 -1.24 -4.82 115.64 106.91 1uj1 s THR 225 Ca 0.25 -0.09 -0.06 0.00 -1.21 0.00 0.00 61.69 60.58 1uj1 s THR 225 Cb 0.01 -1.09 -0.05 0.00 -1.51 0.00 0.00 72.50 69.86 1uj1 s THR 225 CO 0.17 0.00 0.71 0.42 -2.21 0.00 0.00 174.62 173.71 1uj1 s THR 226 N -3.73 4.92 0.18 5.08 -4.23 -1.26 -4.85 115.64 111.75 1uj1 s THR 226 Ca 0.02 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 1uj1 s THR 226 Cb -0.01 -3.80 0.07 0.00 1.34 0.00 0.00 72.50 70.10 1uj1 s THR 226 CO -0.11 -0.61 1.81 0.25 -0.54 0.00 0.00 174.62 175.42 1uj1 h LEU 227 N 0.88 0.50 -0.08 4.79 5.85 -1.98 -0.38 115.31 124.91 1uj1 h LEU 227 Ca -0.47 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.29 1uj1 h LEU 227 Cb 1.20 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1uj1 h LEU 227 CO 0.63 0.35 -0.26 -1.13 -0.34 0.00 0.00 178.44 177.69 1uj1 h ASN 228 N 0.62 -0.80 -0.02 1.25 -1.24 -1.94 -1.06 115.58 112.39 1uj1 h ASN 228 Ca 0.21 0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.30 1uj1 h ASN 228 Cb 0.03 0.34 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 1uj1 h ASN 228 CO -0.10 -0.32 -0.09 0.44 -1.29 0.00 0.00 177.43 176.07 1uj1 h ASP 229 N -0.36 0.24 -0.04 1.15 3.45 -1.84 -2.10 116.42 116.91 1uj1 h ASP 229 Ca 0.08 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.50 1uj1 h ASP 229 Cb 0.49 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.19 1uj1 h ASP 229 CO -0.28 0.36 0.02 0.15 -1.57 0.00 0.00 179.24 177.92 1uj1 h PHE 230 N 0.25 0.06 -0.59 4.55 3.57 -0.41 -2.97 116.94 121.40 1uj1 h PHE 230 Ca 0.05 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1uj1 h PHE 230 Cb 0.32 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1uj1 h PHE 230 CO 0.01 0.17 0.36 -0.91 -2.23 0.00 0.00 178.31 175.70 1uj1 h ASN 231 N -0.06 0.70 -0.03 0.41 2.35 -0.68 -0.20 115.58 118.06 1uj1 h ASN 231 Ca 0.01 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1uj1 h ASN 231 Cb 0.13 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1uj1 h ASN 231 CO -0.00 0.54 0.02 -0.07 -1.65 0.00 0.00 177.43 176.27 1uj1 h LEU 232 N 0.81 0.00 0.00 1.61 3.38 -1.25 0.26 115.31 120.12 1uj1 h LEU 232 Ca 0.21 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 1uj1 h LEU 232 Cb -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1uj1 h LEU 232 CO -0.04 0.00 -1.13 0.58 0.09 0.00 0.00 178.44 177.94 1uj1 h VAL 233 N 0.00 0.79 -0.82 1.22 2.07 -1.06 -3.38 116.25 115.07 1uj1 h VAL 233 Ca 0.02 -2.01 0.05 0.00 0.82 0.00 0.00 66.70 65.58 1uj1 h VAL 233 Cb 0.06 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1uj1 h VAL 233 CO -0.00 0.27 0.54 0.00 0.02 0.00 0.00 177.57 178.40 1uj1 h ALA 234 N -0.56 1.57 0.00 1.67 0.00 -1.02 -0.57 119.26 120.35 1uj1 h ALA 234 Ca -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1uj1 h ALA 234 Cb 1.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1uj1 h ALA 234 CO -0.18 0.32 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 1uj1 n MET 235 N -4.47 0.10 0.04 0.00 2.81 0.07 -0.88 117.12 114.79 1uj1 n MET 235 Ca 0.12 0.21 0.12 0.00 -1.81 0.00 0.00 57.70 56.34 1uj1 n MET 235 Cb 0.18 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.41 1uj1 n MET 235 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1uj1 n LYS 236 N -1.39 0.18 -0.62 0.03 5.02 -0.22 -3.75 118.16 117.41 1uj1 n LYS 236 Ca 0.05 0.05 0.04 0.00 -2.02 0.00 0.00 58.31 56.44 1uj1 n LYS 236 Cb 0.13 -1.62 0.27 0.00 -0.02 0.00 0.00 35.03 33.79 1uj1 n LYS 236 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1uj1 n TYR 237 N -1.88 1.29 -2.67 2.13 4.02 -0.06 -4.93 117.16 115.06 1uj1 n TYR 237 Ca 0.04 -1.02 -0.15 0.00 -0.01 0.00 0.00 57.90 56.76 1uj1 n TYR 237 Cb 0.40 -0.41 0.02 0.00 -0.02 0.00 0.00 39.34 39.32 1uj1 n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1uj1 n ASN 238 N -0.46 -4.62 -4.89 7.72 5.15 -1.22 -4.87 115.26 112.08 1uj1 n ASN 238 Ca 0.27 -0.16 -0.34 0.00 -0.60 0.00 0.00 54.58 53.75 1uj1 n ASN 238 Cb 1.02 -3.54 -0.05 0.00 -0.53 0.00 0.00 39.78 36.67 1uj1 n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1uj1 s TYR 239 N -2.92 3.56 0.28 1.20 1.51 -1.07 -0.96 117.35 118.95 1uj1 s TYR 239 Ca 0.16 0.54 -0.29 0.00 -1.01 0.00 0.00 57.07 56.47 1uj1 s TYR 239 Cb -0.07 -1.97 -0.10 0.00 -0.11 0.00 0.00 41.96 39.71 1uj1 s TYR 239 CO 0.20 0.59 1.36 -1.21 -1.11 0.00 0.00 175.55 175.38 1uj1 s GLU 240 N -1.95 4.32 0.35 -0.62 0.41 -0.52 -4.37 118.70 116.33 1uj1 s GLU 240 Ca 0.30 2.23 -0.28 0.00 -0.41 0.00 0.00 54.97 56.81 1uj1 s GLU 240 Cb -0.13 -3.11 -0.12 0.00 -1.78 0.00 0.00 34.13 28.99 1uj1 s GLU 240 CO 0.18 -0.30 1.29 -2.30 -0.49 0.00 0.00 175.26 173.65 1uj1 n PRO 241 N 1.72 2.12 -3.66 0.39 -0.02 -1.26 -4.54 135.00 129.74 1uj1 n PRO 241 Ca 0.04 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 1uj1 n PRO 241 Cb 0.41 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 1uj1 n PRO 241 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1uj1 s LEU 242 N -1.13 4.23 0.39 2.45 2.96 -1.26 -4.99 118.68 121.34 1uj1 s LEU 242 Ca 0.56 0.35 0.08 0.00 -0.22 0.00 0.00 54.13 54.89 1uj1 s LEU 242 Cb -0.56 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 1uj1 s LEU 242 CO 0.62 0.16 0.28 0.42 -1.32 0.00 0.00 176.35 176.51 1uj1 s THR 243 N 0.32 2.76 0.37 3.68 -4.23 -1.26 -4.95 115.64 112.33 1uj1 s THR 243 Ca 0.12 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1uj1 s THR 243 Cb -0.12 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 70.93 1uj1 s THR 243 CO 0.01 -0.06 1.98 -0.61 -0.54 0.00 0.00 174.62 175.40 1uj1 h GLN 244 N 1.24 0.60 -1.00 3.99 5.75 -1.99 -1.03 115.11 122.67 1uj1 h GLN 244 Ca -0.43 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.02 1uj1 h GLN 244 Cb 1.26 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.64 1uj1 h GLN 244 CO 0.61 0.47 0.66 -0.44 -2.65 0.00 0.00 178.83 177.48 1uj1 h ASP 245 N 0.60 1.13 -0.60 -0.69 5.19 -1.99 -0.13 116.42 119.93 1uj1 h ASP 245 Ca 0.15 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.44 1uj1 h ASP 245 Cb 0.07 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.28 1uj1 h ASP 245 CO -0.02 0.81 -0.00 0.45 -3.12 0.00 0.00 179.24 177.36 1uj1 h HIS 246 N 1.33 1.17 -0.47 4.55 3.86 -1.62 -1.96 115.15 122.01 1uj1 h HIS 246 Ca 0.37 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1uj1 h HIS 246 Cb -0.13 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.02 1uj1 h HIS 246 CO -0.00 1.03 -0.06 -0.39 0.86 0.00 0.00 177.93 179.37 1uj1 h VAL 247 N 0.98 1.25 -0.60 2.45 -1.51 -0.40 -2.55 116.25 115.87 1uj1 h VAL 247 Ca 0.17 -1.11 -0.05 0.00 -1.23 0.00 0.00 66.70 64.48 1uj1 h VAL 247 Cb 0.57 0.95 -0.03 0.00 -2.13 0.00 0.00 31.29 30.65 1uj1 h VAL 247 CO 0.03 0.39 0.17 0.44 -1.23 0.00 0.00 177.57 177.37 1uj1 h ASP 248 N 0.76 0.86 -0.53 4.19 3.32 -0.79 -2.04 116.42 122.19 1uj1 h ASP 248 Ca 0.14 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1uj1 h ASP 248 Cb 0.54 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1uj1 h ASP 248 CO 0.03 0.82 0.35 0.40 -1.72 0.00 0.00 179.24 179.12 1uj1 h ILE 249 N 0.89 1.12 0.00 0.35 2.04 -0.95 -0.73 117.51 120.23 1uj1 h ILE 249 Ca 0.20 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1uj1 h ILE 249 Cb 0.29 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1uj1 h ILE 249 CO -0.00 0.13 0.00 0.18 0.00 0.00 0.00 178.15 178.45 1uj1 n LEU 250 N -4.46 0.00 -0.04 1.44 4.77 -0.77 -4.26 117.00 113.67 1uj1 n LEU 250 Ca 0.05 0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 1uj1 n LEU 250 Cb 0.07 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1uj1 n LEU 250 CO 0.35 -0.01 0.66 1.23 -1.33 0.00 0.00 177.39 178.29 1uj1 h GLY 251 N 4.38 -0.33 0.41 -0.72 0.00 -1.05 -0.25 103.07 105.51 1uj1 h GLY 251 Ca 0.00 0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.77 1uj1 h GLY 251 CO 0.00 -0.21 -0.03 -2.55 0.00 0.00 0.00 176.54 173.74 1uj1 h PRO 252 N -0.33 0.05 -0.20 4.80 0.11 -1.81 0.23 132.00 134.85 1uj1 h PRO 252 Ca 0.12 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1uj1 h PRO 252 Cb 0.52 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1uj1 h PRO 252 CO -0.40 0.03 0.05 -0.07 -0.21 0.00 0.00 178.00 177.41 1uj1 h LEU 253 N 0.05 0.25 -0.46 2.35 3.38 -1.74 0.96 115.31 120.11 1uj1 h LEU 253 Ca 0.16 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1uj1 h LEU 253 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1uj1 h LEU 253 CO -0.30 0.26 -0.19 -1.28 0.09 0.00 0.00 178.44 177.02 1uj1 h SER 254 N 0.28 0.96 -0.30 -0.43 0.87 0.36 -2.98 113.55 112.32 1uj1 h SER 254 Ca 0.07 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 1uj1 h SER 254 Cb 0.11 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1uj1 h SER 254 CO -0.00 1.14 0.12 0.00 -0.53 0.00 0.00 176.83 177.55 1uj1 h ALA 255 N 0.86 0.39 -2.29 6.23 0.00 0.95 -1.36 119.26 124.04 1uj1 h ALA 255 Ca 0.11 -0.12 -0.44 0.00 0.00 0.00 0.00 54.91 54.45 1uj1 h ALA 255 Cb 0.76 -0.12 0.16 0.00 0.00 0.00 0.00 17.79 18.59 1uj1 h ALA 255 CO 0.06 -0.01 0.24 -1.14 0.00 0.00 0.00 179.25 178.40 1uj1 s GLN 256 N -5.55 0.28 0.00 0.00 0.74 0.18 -2.99 119.66 112.31 1uj1 s GLN 256 Ca -0.13 0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.45 1uj1 s GLN 256 Cb 0.09 -1.75 0.00 0.00 1.10 0.00 0.00 33.01 32.45 1uj1 s GLN 256 CO 0.73 -2.76 0.00 0.25 -0.55 0.00 0.00 175.29 172.96 1uj1 n THR 257 N -4.13 0.00 -2.05 -0.34 -2.24 -1.25 -4.10 114.28 100.17 1uj1 n THR 257 Ca 0.09 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.66 1uj1 n THR 257 Cb 0.59 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1uj1 n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uj1 n GLY 258 N -0.17 0.59 3.34 3.38 0.00 -0.53 -4.97 105.19 106.83 1uj1 n GLY 258 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1uj1 n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uj1 s ILE 259 N -2.92 3.47 0.44 -0.61 1.01 -1.07 -5.03 121.20 116.49 1uj1 s ILE 259 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 59.93 1uj1 s ILE 259 Cb 0.00 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 1uj1 s ILE 259 CO 0.00 0.43 1.45 0.00 0.00 0.00 0.00 174.94 176.81 1uj1 s ALA 260 N 1.33 3.30 0.20 9.38 0.00 -1.26 -4.53 121.76 130.17 1uj1 s ALA 260 Ca 0.04 1.50 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 1uj1 s ALA 260 Cb -0.14 -3.60 0.24 0.00 0.00 0.00 0.00 23.12 19.61 1uj1 s ALA 260 CO -0.02 -1.19 1.70 0.28 0.00 0.00 0.00 175.76 176.53 1uj1 h VAL 261 N 2.41 0.66 0.00 0.00 2.07 -1.92 -0.16 116.25 119.30 1uj1 h VAL 261 Ca -0.51 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1uj1 h VAL 261 Cb 1.26 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1uj1 h VAL 261 CO 0.61 0.04 -0.21 -0.07 0.02 0.00 0.00 177.57 177.96 1uj1 h LEU 262 N 0.22 0.00 -0.21 2.57 3.38 -1.91 0.21 115.31 119.57 1uj1 h LEU 262 Ca 0.28 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 1uj1 h LEU 262 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1uj1 h LEU 262 CO -0.38 0.21 -0.55 0.44 0.09 0.00 0.00 178.44 178.25 1uj1 h ASP 263 N 0.00 0.85 -0.27 -0.43 3.32 -1.38 0.32 116.42 118.83 1uj1 h ASP 263 Ca -0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 57.03 56.42 1uj1 h ASP 263 Cb 0.50 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1uj1 h ASP 263 CO 0.03 1.27 0.02 -0.03 -1.72 0.00 0.00 179.24 178.81 1uj1 h MET 264 N 0.47 0.58 -0.44 3.56 4.05 0.04 0.01 114.93 123.20 1uj1 h MET 264 Ca -0.01 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.24 1uj1 h MET 264 Cb 1.17 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.86 1uj1 h MET 264 CO 0.12 0.59 0.08 0.00 0.23 0.00 0.00 176.91 177.93 1uj1 h ALA 266 N 1.43 0.77 -0.15 0.00 0.00 0.42 -0.53 119.26 121.20 1uj1 h ALA 266 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uj1 h ALA 266 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1uj1 h ALA 266 CO 0.00 0.39 0.10 0.00 0.00 0.00 0.00 179.25 179.74 1uj1 h ALA 267 N 1.08 0.20 -0.57 0.00 0.00 -0.25 -2.80 119.26 116.92 1uj1 h ALA 267 Ca 0.20 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1uj1 h ALA 267 Cb 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1uj1 h ALA 267 CO -0.02 -0.31 0.26 1.25 0.00 0.00 0.00 179.25 180.44 1uj1 h LEU 268 N 0.20 0.35 -0.58 0.00 6.46 -0.97 -1.24 115.31 119.53 1uj1 h LEU 268 Ca 0.06 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 57.96 1uj1 h LEU 268 Cb -0.01 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.84 1uj1 h LEU 268 CO -0.01 0.23 0.18 0.50 -0.62 0.00 0.00 178.44 178.72 1uj1 h LYS 269 N 0.50 0.33 -0.47 1.25 3.64 -0.96 0.15 116.57 121.01 1uj1 h LYS 269 Ca 0.27 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1uj1 h LYS 269 Cb 0.23 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1uj1 h LYS 269 CO -0.21 0.22 0.14 1.49 -2.27 0.00 0.00 179.45 178.81 1uj1 h GLU 270 N 0.34 0.75 -0.94 1.90 4.81 -1.13 -0.64 114.58 119.67 1uj1 h GLU 270 Ca 0.30 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1uj1 h GLU 270 Cb 0.39 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1uj1 h GLU 270 CO -0.33 0.72 0.60 -0.07 -0.73 0.00 0.00 179.01 179.20 1uj1 h LEU 271 N 0.64 0.97 -0.35 1.64 3.38 -0.05 0.48 115.31 122.02 1uj1 h LEU 271 Ca 0.15 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 1uj1 h LEU 271 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1uj1 h LEU 271 CO -0.00 0.64 -0.34 -0.07 0.09 0.00 0.00 178.44 178.75 1uj1 h LEU 272 N 1.12 0.91 -0.37 1.67 3.38 -0.38 -1.33 115.31 120.31 1uj1 h LEU 272 Ca 0.40 -0.47 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1uj1 h LEU 272 Cb 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1uj1 h LEU 272 CO -0.16 1.19 -0.60 1.56 0.09 0.00 0.00 178.44 180.53 1uj1 h GLN 273 N 0.64 0.71 -0.17 1.13 4.20 -0.27 -3.34 115.11 118.01 1uj1 h GLN 273 Ca 0.06 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.24 1uj1 h GLN 273 Cb 0.93 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 1uj1 h GLN 273 CO 0.09 1.10 -0.09 0.09 -0.67 0.00 0.00 178.83 179.35 1uj1 n ASN 274 N -3.96 2.79 -0.51 1.46 3.02 0.16 -5.09 115.26 113.13 1uj1 n ASN 274 Ca -0.04 -3.36 0.02 0.00 -0.03 0.00 0.00 54.58 51.17 1uj1 n ASN 274 Cb 0.64 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1uj1 n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uj1 n GLY 275 N -1.02 -0.53 0.99 7.41 0.00 -0.50 -4.28 105.19 107.25 1uj1 n GLY 275 Ca 0.23 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1uj1 n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uj1 n MET 276 N -1.24 2.35 -3.96 1.61 2.81 -1.26 -4.74 117.12 112.69 1uj1 n MET 276 Ca 0.00 -1.98 -0.38 0.00 -1.81 0.00 0.00 57.70 53.54 1uj1 n MET 276 Cb 0.08 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.13 1uj1 n MET 276 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1uj1 n ASN 277 N 1.37 -3.59 0.00 7.83 4.13 -1.26 -0.90 115.26 122.84 1uj1 n ASN 277 Ca 0.15 -1.17 0.00 0.00 1.68 0.00 0.00 54.58 55.23 1uj1 n ASN 277 Cb 0.60 -2.39 0.00 0.00 -1.54 0.00 0.00 39.78 36.45 1uj1 n ASN 277 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uj1 n GLY 278 N -2.00 0.52 3.89 7.41 0.00 -1.26 -4.95 105.19 108.80 1uj1 n GLY 278 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1uj1 n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uj1 s ARG 279 N -0.25 2.76 0.31 1.61 0.52 -0.08 -5.08 118.95 118.74 1uj1 s ARG 279 Ca 0.00 0.39 0.06 0.00 -0.52 0.00 0.00 55.73 55.67 1uj1 s ARG 279 Cb 0.00 -2.03 -0.06 0.00 0.52 0.00 0.00 34.95 33.38 1uj1 s ARG 279 CO 0.00 -1.08 -0.02 0.95 0.02 0.00 0.00 175.30 175.17 1uj1 s THR 280 N -3.36 1.61 -0.03 0.02 -4.23 -1.26 -4.74 115.64 103.65 1uj1 s THR 280 Ca 0.58 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1uj1 s THR 280 Cb -0.11 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.15 1uj1 s THR 280 CO 0.51 -0.18 0.02 -0.63 -0.54 0.00 0.00 174.62 173.79 1uj1 s ILE 281 N -3.02 0.07 -1.65 2.99 1.01 -0.10 -4.77 121.20 115.72 1uj1 s ILE 281 Ca 0.32 0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.95 1uj1 s ILE 281 Cb 0.06 -0.19 0.15 0.00 0.01 0.00 0.00 42.46 42.49 1uj1 s ILE 281 CO 0.14 0.12 0.76 0.18 0.00 0.00 0.00 174.94 176.14 1uj1 n LEU 282 N 4.20 -1.66 0.00 2.97 4.32 -1.26 0.15 117.00 125.72 1uj1 n LEU 282 Ca -0.26 -0.94 0.00 0.00 -0.02 0.00 0.00 56.01 54.79 1uj1 n LEU 282 Cb 0.50 -2.07 0.00 0.00 -1.62 0.00 0.00 43.42 40.23 1uj1 n LEU 282 CO 0.22 0.27 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 1uj1 n GLY 283 N -1.35 1.12 3.86 -0.72 0.00 -1.26 -4.97 105.19 101.87 1uj1 n GLY 283 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1uj1 n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uj1 s SER 284 N -2.90 5.95 0.00 1.61 0.15 0.12 -5.01 113.70 113.62 1uj1 s SER 284 Ca 0.00 0.09 0.25 0.00 0.70 0.00 0.00 55.95 56.99 1uj1 s SER 284 Cb 0.00 -1.71 0.44 0.00 -1.71 0.00 0.00 66.02 63.04 1uj1 s SER 284 CO 0.00 0.13 1.39 0.35 1.20 0.00 0.00 173.24 176.31 1uj1 n THR 285 N 0.04 0.00 -4.26 6.45 -2.24 -1.26 -0.93 114.28 112.08 1uj1 n THR 285 Ca -0.07 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.18 1uj1 n THR 285 Cb 0.52 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 69.79 1uj1 n THR 285 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1uj1 s ILE 286 N -2.08 1.22 -0.15 2.28 -4.36 -1.26 -4.93 121.20 111.91 1uj1 s ILE 286 Ca 0.29 -2.07 -0.29 0.00 -0.26 0.00 0.00 60.65 58.32 1uj1 s ILE 286 Cb 0.20 -1.87 -0.01 0.00 1.25 0.00 0.00 42.46 42.03 1uj1 s ILE 286 CO 0.35 -0.73 1.18 -0.76 0.24 0.00 0.00 174.94 175.22 1uj1 s LEU 287 N -3.18 4.19 -0.08 0.37 1.43 -1.26 -4.94 118.68 115.21 1uj1 s LEU 287 Ca 0.17 1.63 -0.25 0.00 -1.03 0.00 0.00 54.13 54.65 1uj1 s LEU 287 Cb 0.02 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 1uj1 s LEU 287 CO 0.01 -0.68 0.79 -0.70 0.23 0.00 0.00 176.35 176.00 1uj1 s GLU 288 N 3.06 4.43 -0.14 1.70 2.56 -1.26 -4.99 118.70 124.07 1uj1 s GLU 288 Ca 0.52 1.02 0.18 0.00 0.00 0.00 0.00 54.97 56.69 1uj1 s GLU 288 Cb -0.20 -3.48 0.30 0.00 2.00 0.00 0.00 34.13 32.75 1uj1 s GLU 288 CO 0.14 -0.06 1.16 -0.40 -0.56 0.00 0.00 175.26 175.55 1uj1 n ASP 289 N 4.16 2.23 -1.37 -1.70 3.85 -1.26 -3.93 116.55 118.52 1uj1 n ASP 289 Ca 0.02 -3.18 -0.07 0.00 -0.71 0.00 0.00 54.79 50.85 1uj1 n ASP 289 Cb 0.51 -0.44 0.21 0.00 -1.35 0.00 0.00 41.12 40.05 1uj1 n ASP 289 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1uj1 n GLU 290 N -1.37 2.13 -4.01 0.11 1.02 -1.26 -4.69 120.64 112.56 1uj1 n GLU 290 Ca 0.16 -3.11 -0.30 0.00 -0.02 0.00 0.00 57.16 53.89 1uj1 n GLU 290 Cb 0.65 -1.91 -0.16 0.00 -0.02 0.00 0.00 31.44 30.00 1uj1 n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1uj1 s PHE 291 N -3.20 2.15 0.77 -0.32 0.40 -1.26 -4.79 117.98 111.73 1uj1 s PHE 291 Ca 0.47 -1.22 -0.10 0.00 -0.60 0.00 0.00 56.93 55.48 1uj1 s PHE 291 Cb 0.41 -1.58 0.08 0.00 0.51 0.00 0.00 43.02 42.44 1uj1 s PHE 291 CO 0.03 -0.67 1.11 0.95 0.70 0.00 0.00 175.22 177.35 1uj1 s THR 292 N 1.49 2.12 0.32 0.64 -4.23 -1.26 -4.47 115.64 110.25 1uj1 s THR 292 Ca 0.04 -0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 1uj1 s THR 292 Cb -0.13 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 71.00 1uj1 s THR 292 CO -0.10 0.00 1.94 -0.65 -0.54 0.00 0.00 174.62 175.26 1uj1 h PRO 293 N -0.88 0.92 -0.57 3.99 0.11 -1.90 -1.32 132.00 132.36 1uj1 h PRO 293 Ca -0.45 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1uj1 h PRO 293 Cb 1.32 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1uj1 h PRO 293 CO 0.62 0.61 0.18 0.35 -0.21 0.00 0.00 178.00 179.54 1uj1 h PHE 294 N 0.95 0.91 -0.45 0.65 3.57 -1.95 -1.25 116.94 119.38 1uj1 h PHE 294 Ca 0.35 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1uj1 h PHE 294 Cb 0.17 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1uj1 h PHE 294 CO -0.00 0.77 0.28 -0.44 -2.23 0.00 0.00 178.31 176.69 1uj1 h ASP 295 N 0.80 0.47 -0.17 0.41 3.32 -1.64 -1.20 116.42 118.41 1uj1 h ASP 295 Ca 0.18 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1uj1 h ASP 295 Cb 0.28 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1uj1 h ASP 295 CO -0.01 0.34 0.11 0.58 -1.72 0.00 0.00 179.24 178.54 1uj1 h VAL 296 N 0.57 1.07 -0.25 -1.35 2.07 -1.07 -0.77 116.25 116.52 1uj1 h VAL 296 Ca 0.17 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1uj1 h VAL 296 Cb -0.03 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1uj1 h VAL 296 CO -0.06 0.07 0.04 0.58 0.02 0.00 0.00 177.57 178.21 1uj1 h VAL 297 N 0.21 1.14 -0.17 2.57 2.07 -0.99 0.75 116.25 121.82 1uj1 h VAL 297 Ca 0.06 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1uj1 h VAL 297 Cb 0.02 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1uj1 h VAL 297 CO -0.01 0.17 -0.22 -0.09 0.02 0.00 0.00 177.57 177.44 1uj1 h ARG 298 N 0.35 0.46 0.00 1.57 2.43 -0.73 -2.36 114.38 116.10 1uj1 h ARG 298 Ca 0.08 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1uj1 h ARG 298 Cb 0.18 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1uj1 h ARG 298 CO 0.00 0.84 -0.31 0.37 -1.51 0.00 0.00 179.97 179.36 1uj1 h GLN 299 N 0.10 0.00 0.00 0.20 4.15 -0.87 -3.27 115.11 115.43 1uj1 h GLN 299 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1uj1 h GLN 299 Cb 0.78 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.47 1uj1 h GLN 299 CO 0.05 0.00 -1.67 0.00 -1.93 0.00 0.00 178.83 175.28 1uj1 n SER 301 N -2.02 0.00 0.00 0.00 7.64 -0.89 -5.06 113.62 113.30 1uj1 n SER 301 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1uj1 n SER 301 Cb 0.47 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1uj1 n SER 301 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64