#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uj1 s ARG 4 N 0.00 4.36 -0.08 -4.13 0.52 -1.26 -5.02 118.95 113.34 1uj1 s ARG 4 Ca 0.00 1.40 -0.28 0.00 -0.52 0.00 0.00 55.73 56.32 1uj1 s ARG 4 Cb 0.00 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 1uj1 s ARG 4 CO 0.00 0.06 0.93 0.15 0.02 0.00 0.00 175.30 176.46 1uj1 s LYS 5 N -2.36 4.45 0.17 3.54 1.02 -1.26 -5.03 119.74 120.27 1uj1 s LYS 5 Ca 0.55 1.28 0.08 0.00 0.02 0.00 0.00 55.97 57.90 1uj1 s LYS 5 Cb -0.19 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 1uj1 s LYS 5 CO 0.25 -0.19 -0.09 -1.64 -0.92 0.00 0.00 175.35 172.76 1uj1 s MET 6 N 1.58 2.10 0.21 1.68 -1.94 -1.26 -4.95 119.30 116.72 1uj1 s MET 6 Ca 0.47 -1.22 0.04 0.00 -1.71 0.00 0.00 55.69 53.27 1uj1 s MET 6 Cb -0.19 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 1uj1 s MET 6 CO 0.20 0.45 0.34 0.00 -0.01 0.00 0.00 175.02 175.99 1uj1 s ALA 7 N -1.64 3.94 0.61 3.03 0.00 -1.26 -4.73 121.76 121.71 1uj1 s ALA 7 Ca 0.25 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 1uj1 s ALA 7 Cb -0.09 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 1uj1 s ALA 7 CO 0.15 0.34 1.06 -0.06 0.00 0.00 0.00 175.76 177.26 1uj1 s PHE 8 N -1.90 2.95 0.22 0.00 0.08 -1.26 -4.94 117.98 113.13 1uj1 s PHE 8 Ca 0.34 1.51 -0.32 0.00 0.12 0.00 0.00 56.93 58.59 1uj1 s PHE 8 Cb -0.10 -3.02 -0.12 0.00 -0.57 0.00 0.00 43.02 39.21 1uj1 s PHE 8 CO 0.29 -1.19 1.67 -2.30 -0.10 0.00 0.00 175.22 173.58 1uj1 n PRO 9 N -2.13 2.66 0.00 0.24 -0.02 -1.26 -4.89 135.00 129.60 1uj1 n PRO 9 Ca 0.09 0.96 0.13 0.00 -2.02 0.00 0.00 63.50 62.65 1uj1 n PRO 9 Cb 0.53 -2.77 0.36 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 3.40 1.09 -0.22 2.55 3.41 -1.26 -4.58 113.62 118.00 1uj1 n SER 10 Ca 0.14 -0.93 0.03 0.00 -0.26 0.00 0.00 58.87 57.84 1uj1 n SER 10 Cb 0.34 0.15 0.12 0.00 -0.26 0.00 0.00 64.21 64.57 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 4.92 0.74 1.81 5.00 0.00 -1.99 0.08 103.07 113.63 1uj1 h GLY 11 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1uj1 h GLY 11 CO 0.00 -0.23 0.12 0.50 0.00 0.00 0.00 176.54 176.93 1uj1 h LYS 12 N 0.12 0.20 0.09 4.80 1.57 -1.96 -1.80 116.57 119.60 1uj1 h LYS 12 Ca 0.36 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.82 1uj1 h LYS 12 Cb 0.60 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1uj1 h LYS 12 CO -0.57 0.13 -1.63 0.28 -0.57 0.00 0.00 179.45 177.09 1uj1 h VAL 13 N 0.20 1.02 -0.74 0.50 2.07 -1.63 -3.33 116.25 114.34 1uj1 h VAL 13 Ca 0.07 -2.72 0.12 0.00 0.82 0.00 0.00 66.70 64.99 1uj1 h VAL 13 Cb 0.02 2.65 -0.09 0.00 -1.52 0.00 0.00 31.29 32.36 1uj1 h VAL 13 CO -0.01 0.77 0.33 -0.33 0.02 0.00 0.00 177.57 178.35 1uj1 h GLU 14 N 0.05 0.50 0.00 1.57 5.08 -0.35 0.94 114.58 122.37 1uj1 h GLU 14 Ca -0.28 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1uj1 h GLU 14 Cb 2.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1uj1 h GLU 14 CO 0.13 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 1uj1 n GLY 15 N -1.32 -0.47 0.20 -3.84 0.00 -0.74 -2.36 105.19 96.67 1uj1 n GLY 15 Ca 0.13 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.11 4.48 0.21 0.00 -1.94 -1.00 0.31 119.30 120.26 1uj1 s MET 17 Ca 0.07 1.04 -0.00 0.00 -1.71 0.00 0.00 55.69 55.09 1uj1 s MET 17 Cb 0.07 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 1uj1 s MET 17 CO 0.19 0.32 0.14 0.14 -0.01 0.00 0.00 175.02 175.79 1uj1 s VAL 18 N -0.17 0.04 -0.13 -6.03 -7.23 -0.45 -4.76 120.40 101.67 1uj1 s VAL 18 Ca 0.38 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 1uj1 s VAL 18 Cb -0.20 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1uj1 s VAL 18 CO 0.23 0.00 0.01 -1.58 -0.31 0.00 0.00 175.10 173.45 1uj1 s GLN 19 N -4.11 3.40 -0.05 4.82 0.74 0.04 -0.18 119.66 124.31 1uj1 s GLN 19 Ca 0.39 -0.40 0.07 0.00 0.05 0.00 0.00 55.36 55.46 1uj1 s GLN 19 Cb 0.07 -2.94 -0.01 0.00 1.10 0.00 0.00 33.01 31.23 1uj1 s GLN 19 CO 0.13 0.50 -0.25 0.08 -0.55 0.00 0.00 175.29 175.20 1uj1 s VAL 20 N -0.31 2.05 -0.04 1.34 1.01 -0.47 -0.57 120.40 123.41 1uj1 s VAL 20 Ca 0.07 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1uj1 s VAL 20 Cb -0.12 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.54 1uj1 s VAL 20 CO 0.02 0.57 -0.07 -0.89 0.00 0.00 0.00 175.10 174.73 1uj1 s THR 21 N -0.26 0.69 -0.19 3.92 2.01 0.12 -1.66 115.64 120.27 1uj1 s THR 21 Ca -0.01 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1uj1 s THR 21 Cb -0.13 -0.66 0.06 0.00 0.01 0.00 0.00 72.50 71.77 1uj1 s THR 21 CO 0.03 0.25 0.01 0.00 -0.69 0.00 0.00 174.62 174.21 1uj1 n GLY 23 N 4.97 3.87 0.07 0.00 0.00 -1.26 -1.32 105.19 111.52 1uj1 n GLY 23 Ca -0.10 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -3.42 2.61 5.66 -1.26 -4.91 114.28 112.95 1uj1 n THR 24 Ca 0.00 -0.04 -0.38 0.00 -3.05 0.00 0.00 64.05 60.58 1uj1 n THR 24 Cb 0.00 0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 69.28 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 -2.89 4.99 -0.02 1.09 2.01 -0.43 -5.08 115.64 115.30 1uj1 s THR 25 Ca 0.12 0.94 0.01 0.00 0.31 0.00 0.00 61.69 63.07 1uj1 s THR 25 Cb 0.17 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.93 1uj1 s THR 25 CO 0.72 0.53 -0.02 -0.89 -0.69 0.00 0.00 174.62 174.27 1uj1 s THR 26 N -0.81 0.28 0.00 -0.82 2.01 -1.26 -1.37 115.64 113.66 1uj1 s THR 26 Ca 0.25 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1uj1 s THR 26 Cb -0.17 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.04 1uj1 s THR 26 CO 0.14 0.13 0.00 0.00 -0.69 0.00 0.00 174.62 174.20 1uj1 n LEU 27 N 3.61 0.00 -4.91 4.42 -0.00 -0.66 -4.89 117.00 114.57 1uj1 n LEU 27 Ca -0.21 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.51 1uj1 n LEU 27 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.92 1uj1 n LEU 27 CO 0.24 0.00 0.05 0.20 -0.00 0.00 0.00 177.39 177.88 1uj1 s ASN 28 N -0.80 6.43 0.15 1.45 0.01 -0.46 -1.36 114.94 120.35 1uj1 s ASN 28 Ca 0.00 0.51 0.04 0.00 -0.71 0.00 0.00 52.86 52.70 1uj1 s ASN 28 Cb 0.00 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 1uj1 s ASN 28 CO 0.00 -0.02 -0.09 -0.83 -1.51 0.00 0.00 177.10 174.65 1uj1 s GLY 29 N -2.88 1.08 -0.20 0.66 0.00 0.74 -4.42 107.32 102.30 1uj1 s GLY 29 Ca 0.40 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 1uj1 s GLY 29 CO 0.27 -1.58 -0.10 -2.27 0.00 0.00 0.00 173.10 169.42 1uj1 s LEU 30 N -3.17 2.59 -0.37 0.66 0.20 0.02 -1.34 118.68 117.28 1uj1 s LEU 30 Ca 0.17 -0.49 -0.09 0.00 0.69 0.00 0.00 54.13 54.41 1uj1 s LEU 30 Cb 0.03 -1.64 0.04 0.00 -0.43 0.00 0.00 46.19 44.19 1uj1 s LEU 30 CO 0.01 -0.01 0.18 0.86 -0.29 0.00 0.00 176.35 177.10 1uj1 s TRP 31 N 1.40 3.26 -0.10 5.38 -0.00 0.15 -0.50 118.94 128.53 1uj1 s TRP 31 Ca 0.05 -1.21 0.02 0.00 -0.00 0.00 0.00 56.10 54.97 1uj1 s TRP 31 Cb -0.14 -2.47 0.01 0.00 -0.00 0.00 0.00 33.47 30.87 1uj1 s TRP 31 CO -0.07 -0.71 -0.16 -0.51 -0.00 0.00 0.00 176.95 175.50 1uj1 s LEU 32 N 1.48 1.79 0.00 5.86 1.43 -0.62 -4.65 118.68 123.98 1uj1 s LEU 32 Ca 0.01 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1uj1 s LEU 32 Cb -0.20 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1uj1 s LEU 32 CO 0.05 0.05 0.00 0.47 0.23 0.00 0.00 176.35 177.15 1uj1 n ASP 33 N 3.97 0.00 -1.78 2.29 8.00 -1.26 -1.58 116.55 126.18 1uj1 n ASP 33 Ca -0.20 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.23 1uj1 n ASP 33 Cb 0.52 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.84 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 1.11 4.12 -4.23 -2.24 3.85 -1.26 -1.27 116.55 116.64 1uj1 n ASP 34 Ca 0.00 -3.00 -0.25 0.00 -0.71 0.00 0.00 54.79 50.83 1uj1 n ASP 34 Cb 0.00 -0.71 -0.14 0.00 -1.35 0.00 0.00 41.12 38.92 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 -2.47 1.58 -0.13 2.12 2.01 -0.61 -1.00 115.64 117.14 1uj1 s THR 35 Ca 0.43 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 61.37 1uj1 s THR 35 Cb 0.35 -1.37 0.01 0.00 0.01 0.00 0.00 72.50 71.50 1uj1 s THR 35 CO 0.10 0.24 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.36 1uj1 s VAL 36 N -0.72 2.03 -0.09 3.82 1.01 0.50 -1.59 120.40 125.36 1uj1 s VAL 36 Ca 0.07 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1uj1 s VAL 36 Cb -0.08 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1uj1 s VAL 36 CO 0.01 0.55 -0.01 -0.31 0.00 0.00 0.00 175.10 175.33 1uj1 s TYR 37 N 0.69 3.11 0.22 5.22 2.02 0.34 -1.12 117.35 127.84 1uj1 s TYR 37 Ca -0.10 0.13 -0.16 0.00 -0.37 0.00 0.00 57.07 56.56 1uj1 s TYR 37 Cb -0.16 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1uj1 s TYR 37 CO 0.01 0.41 0.54 0.00 -1.57 0.00 0.00 175.55 174.94 1uj1 s PRO 39 N -3.93 4.16 0.57 0.00 0.02 -1.26 -1.11 135.00 133.44 1uj1 s PRO 39 Ca 0.14 2.51 0.26 0.00 0.02 0.00 0.00 61.00 63.93 1uj1 s PRO 39 Cb -0.02 -3.09 1.58 0.00 0.02 0.00 0.00 34.50 32.99 1uj1 s PRO 39 CO 0.03 -0.68 2.14 0.07 -0.33 0.00 0.00 177.00 178.23 1uj1 h ARG 40 N 6.44 0.00 0.00 5.54 0.11 -1.34 -1.63 114.38 123.50 1uj1 h ARG 40 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1uj1 h ARG 40 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1uj1 h ARG 40 CO 0.91 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.59 1uj1 n HIS 41 N -4.05 0.00 0.23 4.08 1.44 -1.26 -1.86 115.22 113.81 1uj1 n HIS 41 Ca 0.00 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.80 1uj1 n HIS 41 Cb 0.25 0.00 0.57 0.00 0.12 0.00 0.00 29.99 30.93 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 0.90 -0.00 0.61 3.04 -1.67 -1.04 116.25 118.08 1uj1 h VAL 42 Ca 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 1uj1 h VAL 42 Cb 0.00 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1uj1 h VAL 42 CO 0.00 0.18 -0.06 2.30 -1.01 0.00 0.00 177.57 178.99 1uj1 n ILE 43 N -3.97 0.00 -3.65 3.17 -5.35 -0.78 -4.54 119.36 104.24 1uj1 n ILE 43 Ca -0.02 -0.01 -0.33 0.00 -0.27 0.00 0.00 62.75 62.12 1uj1 n ILE 43 Cb 0.27 -0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 37.76 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 -1.53 2.39 0.12 0.00 -1.32 -1.26 -4.88 115.64 109.16 1uj1 s THR 45 Ca 0.37 -0.81 -0.20 0.00 -1.21 0.00 0.00 61.69 59.83 1uj1 s THR 45 Cb -0.13 -2.58 -0.07 0.00 -1.51 0.00 0.00 72.50 68.22 1uj1 s THR 45 CO 0.21 0.00 1.73 0.00 -2.21 0.00 0.00 174.62 174.36 1uj1 h ALA 46 N 0.02 0.15 -0.96 11.08 0.00 -1.99 -2.39 119.26 125.17 1uj1 h ALA 46 Ca -0.36 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1uj1 h ALA 46 Cb 1.28 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1uj1 h ALA 46 CO 0.43 -0.43 0.62 0.93 0.00 0.00 0.00 179.25 180.81 1uj1 h GLU 47 N 0.07 1.08 -0.06 0.00 4.39 -2.04 0.17 114.58 118.20 1uj1 h GLU 47 Ca 0.07 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1uj1 h GLU 47 Cb 0.08 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1uj1 h GLU 47 CO -0.11 0.72 0.07 -0.44 -1.16 0.00 0.00 179.01 178.09 1uj1 h ASP 48 N 1.11 0.00 0.46 1.42 3.32 -1.80 -1.41 116.42 119.52 1uj1 h ASP 48 Ca 0.41 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 1uj1 h ASP 48 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1uj1 h ASP 48 CO -0.16 0.00 -0.08 0.24 -1.72 0.00 0.00 179.24 177.52 1uj1 h MET 49 N 0.00 0.00 -0.70 3.56 2.86 -0.44 -0.33 114.93 119.88 1uj1 h MET 49 Ca 0.03 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.75 1uj1 h MET 49 Cb 0.17 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 1uj1 h MET 49 CO -0.00 0.08 0.37 -0.07 1.06 0.00 0.00 176.91 178.35 1uj1 h LEU 50 N 0.00 0.52 -5.00 1.22 -0.00 -1.34 0.23 115.31 110.94 1uj1 h LEU 50 Ca -0.00 0.05 -0.14 0.00 -0.00 0.00 0.00 57.88 57.79 1uj1 h LEU 50 Cb 0.33 -0.05 -0.14 0.00 -0.00 0.00 0.00 40.66 40.80 1uj1 h LEU 50 CO 0.01 0.31 -0.28 -3.20 -0.00 0.00 0.00 178.44 175.29 1uj1 n ASN 51 N -4.82 -2.15 -4.77 -0.43 4.05 -1.12 -4.53 115.26 101.50 1uj1 n ASN 51 Ca 0.10 -2.52 -0.39 0.00 0.45 0.00 0.00 54.58 52.22 1uj1 n ASN 51 Cb 0.23 1.29 -0.02 0.00 1.23 0.00 0.00 39.78 42.51 1uj1 n ASN 51 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 1uj1 s PRO 52 N 0.45 4.19 -0.77 1.20 0.02 -0.15 -4.98 135.00 134.97 1uj1 s PRO 52 Ca 0.29 1.98 -0.03 0.00 0.02 0.00 0.00 61.00 63.26 1uj1 s PRO 52 Cb 0.21 -2.86 0.19 0.00 0.02 0.00 0.00 34.50 32.06 1uj1 s PRO 52 CO -0.16 -0.24 0.62 1.21 -0.33 0.00 0.00 177.00 178.10 1uj1 s ASN 53 N -0.87 5.69 0.25 2.53 3.84 -1.26 -4.94 114.94 120.18 1uj1 s ASN 53 Ca 0.53 -3.26 -0.03 0.00 0.21 0.00 0.00 52.86 50.32 1uj1 s ASN 53 Cb -0.34 -1.90 0.49 0.00 -0.55 0.00 0.00 41.25 38.94 1uj1 s ASN 53 CO 0.44 -0.29 1.75 1.88 -2.79 0.00 0.00 177.10 178.09 1uj1 h TYR 54 N 6.60 0.64 -0.87 0.43 -1.99 -1.98 0.23 116.97 120.04 1uj1 h TYR 54 Ca 0.08 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 1uj1 h TYR 54 Cb 0.89 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 39.42 1uj1 h TYR 54 CO 0.74 0.13 0.45 0.93 -0.00 0.00 0.00 178.16 180.41 1uj1 h GLU 55 N 0.54 1.23 -0.30 4.88 3.07 -1.99 0.32 114.58 122.33 1uj1 h GLU 55 Ca 0.43 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 59.06 1uj1 h GLU 55 Cb 0.62 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1uj1 h GLU 55 CO -0.37 0.92 -0.09 0.22 -1.40 0.00 0.00 179.01 178.29 1uj1 h ASP 56 N 1.22 0.60 -0.44 1.42 3.58 -1.48 -2.05 116.42 119.27 1uj1 h ASP 56 Ca 0.30 -0.38 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 1uj1 h ASP 56 Cb 0.07 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1uj1 h ASP 56 CO -0.04 0.84 -0.02 -0.07 -2.88 0.00 0.00 179.24 177.06 1uj1 h LEU 57 N 0.35 0.84 -1.20 2.28 3.38 -0.13 -2.56 115.31 118.27 1uj1 h LEU 57 Ca 0.07 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1uj1 h LEU 57 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1uj1 h LEU 57 CO 0.03 0.92 -0.38 0.25 0.09 0.00 0.00 178.44 179.35 1uj1 h LEU 58 N 0.80 0.00 -0.74 1.67 5.85 -0.28 -2.93 115.31 119.68 1uj1 h LEU 58 Ca 0.15 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1uj1 h LEU 58 Cb 0.51 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1uj1 h LEU 58 CO 0.03 0.38 0.44 0.40 -0.34 0.00 0.00 178.44 179.35 1uj1 h ILE 59 N 0.00 1.21 0.00 4.05 1.08 -0.94 -1.93 117.51 120.98 1uj1 h ILE 59 Ca -0.00 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1uj1 h ILE 59 Cb 0.72 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1uj1 h ILE 59 CO 0.05 0.22 0.00 0.54 -0.69 0.00 0.00 178.15 178.27 1uj1 n ARG 60 N -4.51 0.71 -4.01 2.37 1.74 -1.11 -4.77 116.66 107.08 1uj1 n ARG 60 Ca 0.07 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.83 1uj1 n ARG 60 Cb 0.06 -1.36 -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 -2.00 3.14 0.35 5.56 -0.14 -0.73 -5.08 119.74 120.83 1uj1 s LYS 61 Ca 0.24 -0.53 0.06 0.00 -1.36 0.00 0.00 55.97 54.39 1uj1 s LYS 61 Cb 0.11 -2.88 -0.07 0.00 -1.68 0.00 0.00 37.83 33.31 1uj1 s LYS 61 CO 0.19 0.61 -0.01 -1.54 -0.76 0.00 0.00 175.35 173.84 1uj1 s SER 62 N -2.21 3.21 0.28 2.83 1.04 -1.26 -4.98 113.70 112.60 1uj1 s SER 62 Ca 0.29 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1uj1 s SER 62 Cb -0.12 -0.26 0.63 0.00 0.10 0.00 0.00 66.02 66.37 1uj1 s SER 62 CO 0.21 -0.43 1.73 0.78 0.98 0.00 0.00 173.24 176.51 1uj1 h ASN 63 N 2.01 0.41 0.22 7.02 2.35 -1.95 0.61 115.58 126.25 1uj1 h ASN 63 Ca -0.42 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1uj1 h ASN 63 Cb 1.24 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1uj1 h ASN 63 CO 0.73 0.10 0.00 1.41 -1.65 0.00 0.00 177.43 178.02 1uj1 n HIS 64 N -4.97 0.11 0.34 1.19 8.25 -1.26 -1.90 115.22 116.98 1uj1 n HIS 64 Ca 0.20 0.05 0.15 0.00 -0.26 0.00 0.00 57.72 57.86 1uj1 n HIS 64 Cb 0.55 -0.58 0.58 0.00 1.12 0.00 0.00 29.99 31.66 1uj1 n HIS 64 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1uj1 h SER 65 N 0.00 0.00 -3.34 0.41 0.02 -0.13 -3.43 113.55 107.08 1uj1 h SER 65 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 1uj1 h SER 65 Cb 0.11 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.39 1uj1 h SER 65 CO 0.00 0.00 -0.73 -0.36 -1.14 0.00 0.00 176.83 174.60 1uj1 s PHE 66 N -3.49 2.91 -0.24 3.45 0.08 -0.80 -4.25 117.98 115.65 1uj1 s PHE 66 Ca 0.03 -0.71 -0.07 0.00 0.12 0.00 0.00 56.93 56.30 1uj1 s PHE 66 Cb 0.09 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1uj1 s PHE 66 CO 0.49 -0.32 0.07 -0.48 -0.10 0.00 0.00 175.22 174.88 1uj1 s LEU 67 N 0.81 3.48 -0.19 -0.37 0.05 -0.04 -4.76 118.68 117.67 1uj1 s LEU 67 Ca -0.03 -0.17 -0.02 0.00 0.05 0.00 0.00 54.13 53.96 1uj1 s LEU 67 Cb -0.15 -1.93 -0.01 0.00 -2.05 0.00 0.00 46.19 42.06 1uj1 s LEU 67 CO 0.01 -0.01 -0.08 -0.69 -0.55 0.00 0.00 176.35 175.03 1uj1 s VAL 68 N 1.46 3.19 -0.15 1.48 1.01 -1.26 -0.70 120.40 125.43 1uj1 s VAL 68 Ca 0.06 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1uj1 s VAL 68 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1uj1 s VAL 68 CO 0.04 0.47 -0.21 -1.10 0.00 0.00 0.00 175.10 174.30 1uj1 s GLN 69 N 1.10 3.05 -0.48 2.72 -0.21 0.27 -0.10 119.66 126.00 1uj1 s GLN 69 Ca 0.01 -0.83 -0.04 0.00 0.02 0.00 0.00 55.36 54.51 1uj1 s GLN 69 Cb -0.15 -2.48 0.13 0.00 1.00 0.00 0.00 33.01 31.51 1uj1 s GLN 69 CO -0.02 -0.04 0.30 0.00 -2.12 0.00 0.00 175.29 173.41 1uj1 s ALA 70 N 0.88 3.32 0.00 6.09 0.00 0.55 -0.78 121.76 131.82 1uj1 s ALA 70 Ca -0.05 -2.75 0.00 0.00 0.00 0.00 0.00 51.96 49.16 1uj1 s ALA 70 Cb -0.15 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1uj1 s ALA 70 CO -0.03 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.23 1uj1 n GLY 71 N 4.32 2.74 1.26 0.00 0.00 -1.26 -1.55 105.19 110.71 1uj1 n GLY 71 Ca -0.00 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 6.16 3.70 -4.53 1.61 3.02 -1.26 -4.90 115.26 119.06 1uj1 n ASN 72 Ca 0.00 -2.30 -0.34 0.00 -0.03 0.00 0.00 54.58 51.92 1uj1 n ASN 72 Cb 0.00 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.57 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 -1.70 4.05 -0.20 2.41 1.01 -0.59 -5.08 120.40 120.30 1uj1 s VAL 73 Ca 0.40 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 1uj1 s VAL 73 Cb 0.25 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1uj1 s VAL 73 CO 0.20 0.49 0.67 -1.10 0.00 0.00 0.00 175.10 175.37 1uj1 s GLN 74 N 0.29 4.22 -0.22 2.72 -1.52 -1.26 -0.33 119.66 123.55 1uj1 s GLN 74 Ca -0.02 0.70 -0.15 0.00 -1.95 0.00 0.00 55.36 53.94 1uj1 s GLN 74 Cb -0.14 -3.59 -0.04 0.00 -0.22 0.00 0.00 33.01 29.03 1uj1 s GLN 74 CO 0.02 -0.28 0.35 -0.51 -0.25 0.00 0.00 175.29 174.62 1uj1 s LEU 75 N 2.04 4.12 -0.01 2.90 1.43 0.86 -4.97 118.68 125.05 1uj1 s LEU 75 Ca 0.30 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 1uj1 s LEU 75 Cb -0.16 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1uj1 s LEU 75 CO 0.10 -0.08 1.31 -0.60 0.23 0.00 0.00 176.35 177.32 1uj1 s ARG 76 N 1.45 4.32 -0.13 1.70 3.52 -1.26 -4.18 118.95 124.37 1uj1 s ARG 76 Ca 0.16 1.85 -0.21 0.00 -0.13 0.00 0.00 55.73 57.40 1uj1 s ARG 76 Cb -0.15 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 1uj1 s ARG 76 CO 0.08 -0.50 0.60 0.54 -0.81 0.00 0.00 175.30 175.21 1uj1 s VAL 77 N 2.19 5.09 -0.05 7.11 0.11 -1.26 -1.71 120.40 131.88 1uj1 s VAL 77 Ca 0.61 1.19 0.07 0.00 -2.93 0.00 0.00 61.98 60.92 1uj1 s VAL 77 Cb -0.29 -3.93 0.11 0.00 -1.53 0.00 0.00 36.38 30.73 1uj1 s VAL 77 CO 0.25 0.23 1.04 2.30 -3.33 0.00 0.00 175.10 175.59 1uj1 n ILE 78 N 4.06 1.29 0.00 7.04 -5.35 -0.31 -4.72 119.36 121.36 1uj1 n ILE 78 Ca -0.03 -1.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.02 1uj1 n ILE 78 Cb 0.51 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 1uj1 n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uj1 n GLY 79 N -0.82 1.90 3.18 3.28 0.00 -1.21 -4.91 105.19 106.60 1uj1 n GLY 79 Ca 0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1uj1 n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1uj1 s HIS 80 N -1.56 0.09 0.19 1.61 -3.43 -1.26 0.72 115.29 111.65 1uj1 s HIS 80 Ca 0.00 -0.37 -0.22 0.00 -0.80 0.00 0.00 55.06 53.67 1uj1 s HIS 80 Cb 0.00 -0.05 0.07 0.00 -1.43 0.00 0.00 32.58 31.17 1uj1 s HIS 80 CO 0.00 -0.44 1.00 -1.54 -2.00 0.00 0.00 174.74 171.76 1uj1 s SER 81 N -2.24 -0.04 0.04 7.38 1.04 -0.21 -4.99 113.70 114.68 1uj1 s SER 81 Ca -0.03 -0.64 0.09 0.00 0.48 0.00 0.00 55.95 55.85 1uj1 s SER 81 Cb 0.00 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1uj1 s SER 81 CO -0.05 -1.01 -0.26 -0.32 0.98 0.00 0.00 173.24 172.58 1uj1 s MET 82 N -2.46 1.85 -0.34 4.02 1.75 -1.26 -0.21 119.30 122.64 1uj1 s MET 82 Ca 0.19 -1.09 -0.01 0.00 -1.25 0.00 0.00 55.69 53.53 1uj1 s MET 82 Cb -0.02 -2.00 0.12 0.00 2.84 0.00 0.00 34.83 35.77 1uj1 s MET 82 CO 0.05 0.52 0.17 -1.14 -0.65 0.00 0.00 175.02 173.96 1uj1 s GLN 83 N -1.19 0.59 7.76 4.11 0.74 0.18 -4.94 119.66 126.90 1uj1 s GLN 83 Ca 0.12 -1.14 0.00 0.00 0.05 0.00 0.00 55.36 54.39 1uj1 s GLN 83 Cb -0.10 -1.57 0.00 0.00 1.10 0.00 0.00 33.01 32.44 1uj1 s GLN 83 CO 0.02 -1.10 0.00 0.09 -0.55 0.00 0.00 175.29 173.75 1uj1 n ASN 84 N 4.50 0.00 -0.48 6.67 3.02 -1.26 -1.58 115.26 126.12 1uj1 n ASN 84 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.62 1uj1 n ASN 84 Cb 0.39 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.67 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 -0.99 3.54 -0.15 0.00 1.43 -0.61 -1.03 118.68 120.87 1uj1 s LEU 86 Ca 0.16 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1uj1 s LEU 86 Cb 0.09 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1uj1 s LEU 86 CO 0.10 0.13 0.03 -0.22 0.23 0.00 0.00 176.35 176.63 1uj1 s LEU 87 N -2.62 3.68 -0.19 1.79 0.20 -0.27 -0.65 118.68 120.62 1uj1 s LEU 87 Ca 0.28 0.08 -0.02 0.00 0.69 0.00 0.00 54.13 55.16 1uj1 s LEU 87 Cb -0.11 -1.90 0.00 0.00 -0.43 0.00 0.00 46.19 43.75 1uj1 s LEU 87 CO 0.20 0.24 -0.11 -0.13 -0.29 0.00 0.00 176.35 176.25 1uj1 s ARG 88 N -0.02 3.24 -0.19 1.98 0.52 0.70 -2.33 118.95 122.84 1uj1 s ARG 88 Ca 0.05 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 54.54 1uj1 s ARG 88 Cb -0.12 -2.79 0.01 0.00 0.52 0.00 0.00 34.95 32.56 1uj1 s ARG 88 CO 0.01 -0.14 -0.14 -0.51 0.02 0.00 0.00 175.30 174.55 1uj1 s LEU 89 N 1.24 2.45 0.16 2.53 1.43 -0.27 -1.04 118.68 125.18 1uj1 s LEU 89 Ca 0.03 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 1uj1 s LEU 89 Cb -0.14 -1.59 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 1uj1 s LEU 89 CO -0.05 -0.00 0.90 -0.54 0.23 0.00 0.00 176.35 176.88 1uj1 s LYS 90 N 1.33 4.71 0.29 1.70 1.02 0.22 -0.37 119.74 128.65 1uj1 s LYS 90 Ca 0.05 1.37 0.11 0.00 0.02 0.00 0.00 55.97 57.52 1uj1 s LYS 90 Cb -0.14 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 1uj1 s LYS 90 CO -0.08 0.40 -0.16 0.14 -0.92 0.00 0.00 175.35 174.72 1uj1 s VAL 91 N -0.66 2.34 -1.94 3.17 -7.23 -0.17 -1.17 120.40 114.74 1uj1 s VAL 91 Ca 0.42 -2.33 0.32 0.00 -1.81 0.00 0.00 61.98 58.57 1uj1 s VAL 91 Cb -0.24 -2.38 0.85 0.00 0.56 0.00 0.00 36.38 35.17 1uj1 s VAL 91 CO 0.29 -0.36 2.19 -0.90 -0.31 0.00 0.00 175.10 176.02 1uj1 n ASP 92 N -0.65 0.05 -4.00 4.85 5.68 -0.69 -4.75 116.55 117.04 1uj1 n ASP 92 Ca -0.05 -0.91 -0.26 0.00 -0.50 0.00 0.00 54.79 53.08 1uj1 n ASP 92 Cb 0.61 -0.03 -0.17 0.00 -1.14 0.00 0.00 41.12 40.39 1uj1 n ASP 92 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1uj1 s THR 93 N -2.07 1.14 0.02 2.12 2.01 -1.26 -5.08 115.64 112.52 1uj1 s THR 93 Ca 0.45 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 1uj1 s THR 93 Cb 0.22 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1uj1 s THR 93 CO 0.38 0.37 0.93 -0.55 -0.69 0.00 0.00 174.62 175.06 1uj1 s SER 94 N 0.96 7.34 -0.15 3.53 0.15 -1.26 -4.50 113.70 119.76 1uj1 s SER 94 Ca -0.09 1.62 -0.32 0.00 0.70 0.00 0.00 55.95 57.86 1uj1 s SER 94 Cb -0.15 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.52 1uj1 s SER 94 CO 0.00 -0.18 2.06 -3.20 1.20 0.00 0.00 173.24 173.12 1uj1 n ASN 95 N 3.57 3.29 0.30 5.45 2.85 -0.39 -4.82 115.26 125.51 1uj1 n ASN 95 Ca 0.04 0.62 0.18 0.00 -0.11 0.00 0.00 54.58 55.32 1uj1 n ASN 95 Cb 0.51 -1.44 0.93 0.00 1.24 0.00 0.00 39.78 41.02 1uj1 n ASN 95 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1uj1 h PRO 96 N 11.83 0.00 -0.33 1.20 0.11 -1.92 -2.28 132.00 140.62 1uj1 h PRO 96 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1uj1 h PRO 96 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1uj1 h PRO 96 CO 0.96 0.03 0.00 1.63 -0.21 0.00 0.00 178.00 180.41 1uj1 n LYS 97 N -3.26 2.03 -1.68 1.05 5.02 -1.26 -4.94 118.16 115.12 1uj1 n LYS 97 Ca -0.02 -1.57 -0.48 0.00 -2.02 0.00 0.00 58.31 54.22 1uj1 n LYS 97 Cb 0.18 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1uj1 n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1uj1 n THR 98 N 0.78 0.44 -2.44 -0.18 -1.04 -0.86 -4.83 114.28 106.16 1uj1 n THR 98 Ca 0.17 -0.08 -0.24 0.00 -2.04 0.00 0.00 64.05 61.86 1uj1 n THR 98 Cb 0.41 -1.79 0.09 0.00 -1.82 0.00 0.00 70.33 67.22 1uj1 n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1uj1 s PRO 99 N 3.32 1.89 0.27 -2.82 0.04 -1.26 -5.02 135.00 131.41 1uj1 s PRO 99 Ca 0.89 -0.76 -0.29 0.00 0.04 0.00 0.00 61.00 60.88 1uj1 s PRO 99 Cb -0.69 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 31.48 1uj1 s PRO 99 CO 0.48 -1.33 1.25 0.15 0.04 0.00 0.00 177.00 177.59 1uj1 s LYS 100 N -5.16 4.44 0.28 4.56 1.02 -1.26 -4.94 119.74 118.68 1uj1 s LYS 100 Ca 0.64 2.05 -0.10 0.00 0.02 0.00 0.00 55.97 58.58 1uj1 s LYS 100 Cb -0.08 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1uj1 s LYS 100 CO 0.44 -0.11 0.49 1.52 -0.92 0.00 0.00 175.35 176.78 1uj1 s TYR 101 N -0.72 0.52 0.07 3.18 -0.85 -1.26 -1.12 117.35 117.16 1uj1 s TYR 101 Ca 0.50 -0.87 -0.12 0.00 -0.52 0.00 0.00 57.07 56.06 1uj1 s TYR 101 Cb -0.37 0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.15 1uj1 s TYR 101 CO 0.45 -1.06 0.27 0.15 -1.52 0.00 0.00 175.55 173.84 1uj1 s LYS 102 N -3.68 0.84 -0.18 -3.49 1.02 -0.39 -4.89 119.74 108.97 1uj1 s LYS 102 Ca 0.24 -0.68 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 1uj1 s LYS 102 Cb -0.01 0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 37.64 1uj1 s LYS 102 CO 0.12 -0.28 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.15 1uj1 s PHE 103 N -3.11 2.95 0.06 3.18 2.99 -1.26 -0.91 117.98 121.88 1uj1 s PHE 103 Ca -0.01 -0.62 0.04 0.00 0.00 0.00 0.00 56.93 56.34 1uj1 s PHE 103 Cb 0.01 -2.00 -0.03 0.00 0.00 0.00 0.00 43.02 41.01 1uj1 s PHE 103 CO -0.07 -0.28 -0.11 0.54 -0.00 0.00 0.00 175.22 175.30 1uj1 s VAL 104 N 0.82 0.85 -0.26 -0.44 0.11 -0.12 -4.95 120.40 116.42 1uj1 s VAL 104 Ca -0.02 -1.26 -0.09 0.00 -2.93 0.00 0.00 61.98 57.69 1uj1 s VAL 104 Cb -0.15 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1uj1 s VAL 104 CO 0.01 -0.34 0.11 -0.60 -3.33 0.00 0.00 175.10 170.96 1uj1 s ARG 105 N -1.82 3.76 0.50 1.54 3.52 -1.26 -4.21 118.95 120.98 1uj1 s ARG 105 Ca -0.04 -0.42 -0.10 0.00 -0.13 0.00 0.00 55.73 55.03 1uj1 s ARG 105 Cb -0.09 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1uj1 s ARG 105 CO 0.01 -0.19 0.88 0.42 -0.81 0.00 0.00 175.30 175.62 1uj1 s ILE 106 N 1.67 4.75 0.20 4.11 1.09 -1.26 -5.09 121.20 126.67 1uj1 s ILE 106 Ca 0.07 0.68 -0.01 0.00 -1.10 0.00 0.00 60.65 60.29 1uj1 s ILE 106 Cb -0.15 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 1uj1 s ILE 106 CO 0.06 -0.81 0.39 -1.10 -0.10 0.00 0.00 174.94 173.38 1uj1 s GLN 107 N -4.49 3.52 0.38 2.79 -1.52 -1.26 -5.04 119.66 114.04 1uj1 s GLN 107 Ca 0.53 -0.35 -0.26 0.00 -1.95 0.00 0.00 55.36 53.32 1uj1 s GLN 107 Cb -0.10 -2.84 -0.11 0.00 -0.22 0.00 0.00 33.01 29.73 1uj1 s GLN 107 CO 0.41 0.40 1.22 -2.30 -0.25 0.00 0.00 175.29 174.77 1uj1 n PRO 108 N -0.66 1.87 0.00 2.91 -0.02 -1.26 -1.98 135.00 135.86 1uj1 n PRO 108 Ca -0.05 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1uj1 n PRO 108 Cb 0.54 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.88 3.20 3.81 -1.23 0.00 0.21 -4.92 105.19 107.15 1uj1 n GLY 109 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.48 3.89 0.39 1.61 -0.21 -0.84 -4.61 119.66 119.41 1uj1 s GLN 110 Ca 0.00 1.22 0.08 0.00 0.02 0.00 0.00 55.36 56.67 1uj1 s GLN 110 Cb 0.00 -2.12 -0.00 0.00 1.00 0.00 0.00 33.01 31.89 1uj1 s GLN 110 CO 0.00 -0.34 0.49 0.95 -2.12 0.00 0.00 175.29 174.28 1uj1 s THR 111 N -2.18 3.30 0.04 -0.19 -4.23 -1.26 -0.88 115.64 110.24 1uj1 s THR 111 Ca 0.64 -1.07 -0.28 0.00 -1.18 0.00 0.00 61.69 59.80 1uj1 s THR 111 Cb -0.13 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.67 1uj1 s THR 111 CO 0.21 -0.06 1.02 0.72 -0.54 0.00 0.00 174.62 175.98 1uj1 s PHE 112 N -2.31 -0.18 -0.02 3.99 -0.12 -0.77 -4.92 117.98 113.65 1uj1 s PHE 112 Ca 0.50 -0.01 -0.05 0.00 -0.05 0.00 0.00 56.93 57.33 1uj1 s PHE 112 Cb -0.09 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1uj1 s PHE 112 CO 0.31 -0.57 0.21 -1.12 -0.05 0.00 0.00 175.22 174.00 1uj1 s SER 113 N -2.72 6.43 -0.12 1.98 0.01 0.10 -1.43 113.70 117.95 1uj1 s SER 113 Ca 0.10 0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.84 1uj1 s SER 113 Cb -0.00 -2.05 -0.00 0.00 0.21 0.00 0.00 66.02 64.18 1uj1 s SER 113 CO -0.03 0.28 -0.20 -0.69 0.41 0.00 0.00 173.24 173.01 1uj1 s VAL 114 N -1.27 2.40 -0.58 3.43 1.01 0.85 -0.24 120.40 126.00 1uj1 s VAL 114 Ca 0.26 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1uj1 s VAL 114 Cb -0.13 -1.96 0.14 0.00 0.00 0.00 0.00 36.38 34.43 1uj1 s VAL 114 CO 0.16 0.55 0.57 -0.22 0.00 0.00 0.00 175.10 176.15 1uj1 s LEU 115 N 0.40 6.12 0.09 3.92 2.96 -0.97 -1.74 118.68 129.46 1uj1 s LEU 115 Ca -0.15 -1.84 -0.31 0.00 -0.22 0.00 0.00 54.13 51.61 1uj1 s LEU 115 Cb -0.17 -2.23 -0.07 0.00 0.50 0.00 0.00 46.19 44.22 1uj1 s LEU 115 CO 0.07 -0.87 1.36 0.00 -1.32 0.00 0.00 176.35 175.59 1uj1 s ALA 116 N 1.62 3.56 0.17 5.97 0.00 0.04 -4.06 121.76 129.05 1uj1 s ALA 116 Ca 0.06 1.04 0.06 0.00 0.00 0.00 0.00 51.96 53.12 1uj1 s ALA 116 Cb -0.27 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 1uj1 s ALA 116 CO 0.02 -0.62 -0.11 0.00 0.00 0.00 0.00 175.76 175.04 1uj1 s TYR 118 N -3.20 0.24 -1.28 0.00 2.02 -0.67 -3.81 117.35 110.64 1uj1 s TYR 118 Ca 0.19 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.45 1uj1 s TYR 118 Cb 0.01 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1uj1 s TYR 118 CO 0.03 -0.56 0.92 0.09 -1.57 0.00 0.00 175.55 174.46 1uj1 n ASN 119 N 5.27 -2.50 0.00 2.29 3.02 -1.18 -2.40 115.26 119.76 1uj1 n ASN 119 Ca -0.07 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1uj1 n ASN 119 Cb 0.48 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 1uj1 n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uj1 n GLY 120 N -1.44 1.86 3.33 7.41 0.00 -1.25 -4.47 105.19 110.63 1uj1 n GLY 120 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.40 5.21 0.10 1.61 0.15 -1.01 -4.17 113.70 112.19 1uj1 s SER 121 Ca 0.00 -0.84 -0.34 0.00 0.70 0.00 0.00 55.95 55.46 1uj1 s SER 121 Cb 0.00 -1.88 -0.14 0.00 -1.71 0.00 0.00 66.02 62.29 1uj1 s SER 121 CO 0.00 -0.24 1.59 -2.65 1.20 0.00 0.00 173.24 173.14 1uj1 n PRO 122 N 4.86 1.99 -0.06 5.44 -0.02 -1.26 -1.67 135.00 144.28 1uj1 n PRO 122 Ca -0.14 0.72 -0.07 0.00 -2.02 0.00 0.00 63.50 61.99 1uj1 n PRO 122 Cb 0.47 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.40 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 3.80 2.77 -3.59 2.55 2.88 0.15 -4.92 113.62 117.26 1uj1 n SER 123 Ca 0.18 -0.04 -0.04 0.00 -1.33 0.00 0.00 58.87 57.64 1uj1 n SER 123 Cb 0.27 0.18 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 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 -4.86 -0.35 -0.02 0.46 0.00 -1.01 -5.00 107.32 96.54 1uj1 s GLY 124 Ca -0.13 1.14 0.04 0.00 0.00 0.00 0.00 44.72 45.77 1uj1 s GLY 124 CO 0.35 0.36 -0.12 0.54 0.00 0.00 0.00 173.10 174.22 1uj1 s VAL 125 N -2.69 0.99 0.11 1.40 0.11 -1.26 -0.78 120.40 118.27 1uj1 s VAL 125 Ca 0.09 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1uj1 s VAL 125 Cb 0.00 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1uj1 s VAL 125 CO -0.05 0.29 0.11 -0.72 -3.33 0.00 0.00 175.10 171.39 1uj1 s TYR 126 N -0.14 0.54 0.04 1.54 -0.85 -0.71 -4.95 117.35 112.81 1uj1 s TYR 126 Ca 0.02 -0.97 -0.00 0.00 -0.52 0.00 0.00 57.07 55.60 1uj1 s TYR 126 Cb -0.06 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 1uj1 s TYR 126 CO 0.00 -0.53 0.17 -1.14 -1.52 0.00 0.00 175.55 172.53 1uj1 s GLN 127 N -3.96 3.30 0.39 -3.49 -0.44 -1.26 -0.10 119.66 114.09 1uj1 s GLN 127 Ca 0.15 -0.46 -0.15 0.00 -2.50 0.00 0.00 55.36 52.39 1uj1 s GLN 127 Cb 0.06 -2.98 0.06 0.00 -1.64 0.00 0.00 33.01 28.51 1uj1 s GLN 127 CO -0.04 0.62 0.79 0.00 0.50 0.00 0.00 175.29 177.16 1uj1 s ALA 129 N -2.24 0.93 -0.15 0.00 0.00 -1.26 -1.85 121.76 117.19 1uj1 s ALA 129 Ca 0.16 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 1uj1 s ALA 129 Cb -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1uj1 s ALA 129 CO 0.12 0.10 1.25 1.41 0.00 0.00 0.00 175.76 178.64 1uj1 s MET 130 N -1.58 4.25 0.63 0.00 1.75 -0.06 -4.55 119.30 119.75 1uj1 s MET 130 Ca -0.04 1.66 -0.15 0.00 -1.25 0.00 0.00 55.69 55.91 1uj1 s MET 130 Cb -0.10 -3.73 -0.02 0.00 2.84 0.00 0.00 34.83 33.83 1uj1 s MET 130 CO 0.01 -0.67 1.08 1.03 -0.65 0.00 0.00 175.02 175.83 1uj1 s ARG 131 N 3.29 3.04 0.54 4.11 1.81 -0.16 0.65 118.95 132.22 1uj1 s ARG 131 Ca 0.55 1.27 0.21 0.00 -1.72 0.00 0.00 55.73 56.04 1uj1 s ARG 131 Cb -0.22 -1.99 1.39 0.00 -0.45 0.00 0.00 34.95 33.67 1uj1 s ARG 131 CO 0.16 -1.04 2.10 -1.35 -0.68 0.00 0.00 175.30 174.49 1uj1 h PRO 132 N 0.15 0.00 -0.69 3.54 0.11 -1.88 0.30 132.00 133.54 1uj1 h PRO 132 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1uj1 h PRO 132 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uj1 h PRO 132 CO 0.56 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.62 1uj1 n ASN 133 N -4.37 1.90 -1.20 -2.05 6.94 -1.26 -4.89 115.26 110.34 1uj1 n ASN 133 Ca 0.02 -2.17 -0.13 0.00 -0.02 0.00 0.00 54.58 52.27 1uj1 n ASN 133 Cb 0.29 -0.43 -0.04 0.00 -2.36 0.00 0.00 39.78 37.24 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 0.14 -0.22 -4.54 -2.53 8.25 0.11 -4.69 115.22 111.74 1uj1 n HIS 134 Ca 0.07 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.28 1uj1 n HIS 134 Cb 0.40 -2.58 -0.11 0.00 1.12 0.00 0.00 29.99 28.82 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 -2.56 1.73 0.03 1.59 -4.23 -1.26 -4.53 115.64 106.42 1uj1 s THR 135 Ca 0.00 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 58.55 1uj1 s THR 135 Cb 0.00 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 1uj1 s THR 135 CO 0.00 -0.05 -0.21 0.27 -0.54 0.00 0.00 174.62 174.10 1uj1 s ILE 136 N -2.92 1.67 -0.55 2.99 -4.36 -0.54 -0.99 121.20 116.51 1uj1 s ILE 136 Ca 0.35 -1.16 -0.19 0.00 -0.26 0.00 0.00 60.65 59.40 1uj1 s ILE 136 Cb 0.08 -1.45 0.09 0.00 1.25 0.00 0.00 42.46 42.43 1uj1 s ILE 136 CO 0.17 0.25 0.64 -0.54 0.24 0.00 0.00 174.94 175.69 1uj1 s LYS 137 N -1.07 3.07 0.00 0.37 1.02 -1.26 -1.07 119.74 120.79 1uj1 s LYS 137 Ca 0.08 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1uj1 s LYS 137 Cb -0.09 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.03 1uj1 s LYS 137 CO 0.01 -1.37 0.00 0.41 -0.92 0.00 0.00 175.35 173.48 1uj1 n GLY 138 N 5.23 5.83 2.63 -3.33 0.00 -1.26 -4.90 105.19 109.39 1uj1 n GLY 138 Ca -0.09 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.13 1uj1 n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uj1 s SER 139 N 1.00 2.55 -0.29 1.61 0.15 -1.26 -5.02 113.70 112.44 1uj1 s SER 139 Ca 0.00 -0.84 -0.02 0.00 0.70 0.00 0.00 55.95 55.79 1uj1 s SER 139 Cb 0.00 -0.06 0.09 0.00 -1.71 0.00 0.00 66.02 64.35 1uj1 s SER 139 CO 0.00 -0.39 0.10 -0.36 1.20 0.00 0.00 173.24 173.79 1uj1 s PHE 140 N 2.19 1.29 0.24 3.44 0.40 -1.26 -4.95 117.98 119.33 1uj1 s PHE 140 Ca 0.07 -1.42 -0.04 0.00 -0.60 0.00 0.00 56.93 54.95 1uj1 s PHE 140 Cb -0.16 -1.43 0.05 0.00 0.51 0.00 0.00 43.02 42.00 1uj1 s PHE 140 CO -0.25 -0.83 0.32 1.28 0.70 0.00 0.00 175.22 176.45 1uj1 n LEU 141 N 4.97 0.00 -4.62 -0.37 4.32 -1.26 -4.88 117.00 115.16 1uj1 n LEU 141 Ca -0.04 -0.39 -0.50 0.00 -0.02 0.00 0.00 56.01 55.06 1uj1 n LEU 141 Cb 0.43 -0.24 -0.06 0.00 -1.62 0.00 0.00 43.42 41.93 1uj1 n LEU 141 CO 0.10 -0.72 1.57 -0.46 -1.22 0.00 0.00 177.39 176.66 1uj1 n ASN 142 N -3.18 2.88 0.00 -1.43 0.23 -1.26 -2.67 115.26 109.83 1uj1 n ASN 142 Ca 0.04 0.78 0.00 0.00 -0.53 0.00 0.00 54.58 54.87 1uj1 n ASN 142 Cb 0.15 -1.31 0.00 0.00 -2.08 0.00 0.00 39.78 36.53 1uj1 n ASN 142 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uj1 n GLY 143 N 5.06 1.15 0.31 4.83 0.00 -1.26 -4.92 105.19 110.36 1uj1 n GLY 143 Ca 0.29 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 0.72 1.49 -4.63 1.61 3.41 -1.09 -3.08 113.62 112.05 1uj1 n SER 144 Ca 0.00 -1.24 -0.43 0.00 -0.26 0.00 0.00 58.87 56.93 1uj1 n SER 144 Cb 0.11 0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 64.61 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 1.05 1.13 3.75 0.00 0.00 0.29 -1.36 105.19 110.05 1uj1 n GLY 146 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.42 5.18 0.21 1.61 0.01 -0.31 -4.56 113.70 113.41 1uj1 s SER 147 Ca 0.00 2.49 0.10 0.00 1.31 0.00 0.00 55.95 59.85 1uj1 s SER 147 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1uj1 s SER 147 CO 0.00 -1.61 -0.15 0.68 0.41 0.00 0.00 173.24 172.57 1uj1 s VAL 148 N -1.50 2.81 0.12 3.43 -7.23 -1.26 -0.86 120.40 115.91 1uj1 s VAL 148 Ca 0.76 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 59.06 1uj1 s VAL 148 Cb -0.33 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1uj1 s VAL 148 CO 0.37 -0.18 0.00 -0.83 -0.31 0.00 0.00 175.10 174.15 1uj1 s GLY 149 N -2.96 1.84 0.13 2.32 0.00 0.16 -2.30 107.32 106.51 1uj1 s GLY 149 Ca 0.25 -1.21 -0.25 0.00 0.00 0.00 0.00 44.72 43.51 1uj1 s GLY 149 CO 0.14 -1.20 0.86 -0.11 0.00 0.00 0.00 173.10 172.79 1uj1 s PHE 150 N -1.46 -0.24 0.07 1.90 -0.12 0.67 -1.58 117.98 117.21 1uj1 s PHE 150 Ca 0.26 -0.03 0.06 0.00 -0.05 0.00 0.00 56.93 57.16 1uj1 s PHE 150 Cb -0.11 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 1uj1 s PHE 150 CO 0.18 -0.82 -0.15 -0.80 -0.05 0.00 0.00 175.22 173.58 1uj1 s ASN 151 N -2.80 1.81 -0.05 1.98 0.01 -0.37 -0.73 114.94 114.79 1uj1 s ASN 151 Ca 0.09 -0.59 0.06 0.00 -0.71 0.00 0.00 52.86 51.71 1uj1 s ASN 151 Cb -0.02 -0.08 -0.01 0.00 0.41 0.00 0.00 41.25 41.55 1uj1 s ASN 151 CO -0.02 -0.03 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.68 1uj1 s ILE 152 N -1.15 1.95 -0.22 0.60 1.01 -1.26 0.55 121.20 122.68 1uj1 s ILE 152 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 1uj1 s ILE 152 Cb -0.09 -1.64 0.06 0.00 0.01 0.00 0.00 42.46 40.79 1uj1 s ILE 152 CO 0.02 0.54 -0.00 -1.81 0.00 0.00 0.00 174.94 173.69 1uj1 s ASP 153 N -0.21 3.38 1.43 3.58 1.11 0.17 -4.98 116.67 121.15 1uj1 s ASP 153 Ca -0.01 -1.01 0.00 0.00 0.18 0.00 0.00 52.55 51.71 1uj1 s ASP 153 Cb -0.13 -0.88 0.00 0.00 1.07 0.00 0.00 42.92 42.99 1uj1 s ASP 153 CO 0.03 -0.28 0.00 -1.22 1.18 0.00 0.00 175.17 174.88 1uj1 n TYR 154 N 4.87 0.00 0.49 4.23 4.02 -1.26 -1.00 117.16 128.51 1uj1 n TYR 154 Ca -0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1uj1 n TYR 154 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1uj1 n TYR 154 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1uj1 n ASP 155 N 10.39 1.31 -4.66 7.72 5.75 -1.26 -4.99 116.55 130.80 1uj1 n ASP 155 Ca 0.00 -1.15 -0.38 0.00 -0.01 0.00 0.00 54.79 53.24 1uj1 n ASP 155 Cb 0.00 0.45 -0.08 0.00 -1.03 0.00 0.00 41.12 40.46 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 1.41 4.92 -0.53 0.00 1.01 -0.28 -0.65 120.40 126.27 1uj1 s VAL 157 Ca 0.18 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 1uj1 s VAL 157 Cb -0.15 -4.04 0.09 0.00 0.00 0.00 0.00 36.38 32.29 1uj1 s VAL 157 CO 0.08 -0.24 0.56 -0.44 0.00 0.00 0.00 175.10 175.06 1uj1 s SER 158 N 1.73 6.18 0.10 3.32 0.01 0.19 -1.26 113.70 123.97 1uj1 s SER 158 Ca 0.24 -1.39 -0.30 0.00 1.31 0.00 0.00 55.95 55.81 1uj1 s SER 158 Cb -0.15 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1uj1 s SER 158 CO 0.14 -0.89 1.11 -0.36 0.41 0.00 0.00 173.24 173.64 1uj1 s PHE 159 N 2.13 3.56 0.00 2.43 0.08 -0.09 -1.24 117.98 124.86 1uj1 s PHE 159 Ca 0.08 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.65 1uj1 s PHE 159 Cb -0.25 -3.29 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 1uj1 s PHE 159 CO 0.07 -0.69 0.01 0.00 -0.10 0.00 0.00 175.22 174.50 1uj1 s TYR 161 N -0.36 -0.35 -0.03 0.00 5.04 -1.03 -4.27 117.35 116.35 1uj1 s TYR 161 Ca 0.00 0.82 0.01 0.00 -2.44 0.00 0.00 57.07 55.46 1uj1 s TYR 161 Cb 0.00 0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.45 1uj1 s TYR 161 CO 0.00 -0.23 -0.05 1.41 -1.34 0.00 0.00 175.55 175.34 1uj1 s MET 162 N -0.11 0.75 0.11 4.97 -2.45 0.47 0.40 119.30 123.43 1uj1 s MET 162 Ca -0.03 -0.16 -0.28 0.00 -1.25 0.00 0.00 55.69 53.98 1uj1 s MET 162 Cb -0.03 -0.75 -0.06 0.00 1.25 0.00 0.00 34.83 35.24 1uj1 s MET 162 CO 0.01 0.00 0.88 -1.58 1.05 0.00 0.00 175.02 175.38 1uj1 s HIS 163 N 0.54 3.81 0.00 4.11 2.46 -0.04 -1.24 115.29 124.93 1uj1 s HIS 163 Ca -0.07 1.69 0.00 0.00 0.47 0.00 0.00 55.06 57.15 1uj1 s HIS 163 Cb -0.11 -2.94 0.00 0.00 -0.13 0.00 0.00 32.58 29.40 1uj1 s HIS 163 CO 0.00 0.28 0.00 0.72 -2.47 0.00 0.00 174.74 173.28 1uj1 n HIS 164 N 2.55 0.00 -4.10 3.88 8.25 -0.96 -0.55 115.22 124.30 1uj1 n HIS 164 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 1uj1 n HIS 164 Cb 0.49 0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.84 0.63 -0.08 -0.41 -1.94 -0.17 -4.94 119.30 110.56 1uj1 s MET 165 Ca 0.00 -0.96 -0.07 0.00 -1.71 0.00 0.00 55.69 52.95 1uj1 s MET 165 Cb 0.00 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.54 1uj1 s MET 165 CO 0.00 0.03 0.19 -2.00 -0.01 0.00 0.00 175.02 173.22 1uj1 s GLU 166 N -2.37 3.51 0.11 2.03 2.12 -1.26 -0.96 118.70 121.87 1uj1 s GLU 166 Ca -0.02 -0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.26 1uj1 s GLU 166 Cb -0.05 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1uj1 s GLU 166 CO -0.01 0.74 0.06 -0.51 -0.54 0.00 0.00 175.26 175.00 1uj1 s LEU 167 N -1.24 3.66 0.45 2.70 1.02 0.13 -4.92 118.68 120.49 1uj1 s LEU 167 Ca 0.19 -0.12 0.41 0.00 0.02 0.00 0.00 54.13 54.63 1uj1 s LEU 167 Cb -0.13 -2.34 1.39 0.00 0.02 0.00 0.00 46.19 45.13 1uj1 s LEU 167 CO 0.08 0.14 1.26 -0.81 0.02 0.00 0.00 176.35 177.05 1uj1 n PRO 168 N 0.25 0.00 0.05 1.29 -0.04 -1.26 0.22 135.00 135.50 1uj1 n PRO 168 Ca -0.09 0.88 0.13 0.00 -0.04 0.00 0.00 63.50 64.38 1uj1 n PRO 168 Cb 0.53 -2.04 0.51 0.00 -0.04 0.00 0.00 33.50 32.45 1uj1 n PRO 168 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1uj1 n THR 169 N -3.54 0.34 -0.53 0.52 -1.04 -1.26 -4.85 114.28 103.93 1uj1 n THR 169 Ca 0.36 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1uj1 n THR 169 Cb 1.64 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 69.55 1uj1 n THR 169 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uj1 n GLY 170 N 1.25 0.74 3.97 3.41 0.00 0.58 -5.05 105.19 110.09 1uj1 n GLY 170 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1uj1 n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uj1 s VAL 171 N -2.08 3.47 0.15 1.61 1.01 -1.21 -4.70 120.40 118.63 1uj1 s VAL 171 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.46 1uj1 s VAL 171 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1uj1 s VAL 171 CO 0.00 -0.18 -0.22 -1.00 0.00 0.00 0.00 175.10 173.69 1uj1 s HIS 172 N -2.59 2.04 0.05 5.22 0.09 -0.23 0.19 115.29 120.05 1uj1 s HIS 172 Ca 0.52 -0.41 0.05 0.00 -0.00 0.00 0.00 55.06 55.22 1uj1 s HIS 172 Cb -0.10 -1.06 -0.02 0.00 -0.00 0.00 0.00 32.58 31.40 1uj1 s HIS 172 CO 0.37 0.34 -0.15 0.00 -0.00 0.00 0.00 174.74 175.30 1uj1 s ALA 173 N -1.48 1.23 0.00 -1.40 0.00 -0.14 -1.46 121.76 118.51 1uj1 s ALA 173 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1uj1 s ALA 173 Cb -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1uj1 s ALA 173 CO 0.07 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1uj1 n GLY 174 N 1.74 1.78 3.53 0.00 0.00 -1.26 -1.00 105.19 109.98 1uj1 n GLY 174 Ca -0.19 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 1uj1 n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uj1 s THR 175 N -2.74 1.56 0.77 2.61 -4.23 -0.38 -1.44 115.64 111.80 1uj1 s THR 175 Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1uj1 s THR 175 Cb 0.00 -2.88 0.18 0.00 1.34 0.00 0.00 72.50 71.14 1uj1 s THR 175 CO 0.00 0.00 0.99 -0.90 -0.54 0.00 0.00 174.62 174.17 1uj1 n ASP 176 N -0.82 -0.20 -0.03 3.99 5.68 -0.58 -0.40 116.55 124.19 1uj1 n ASP 176 Ca -0.04 -1.31 0.06 0.00 -0.50 0.00 0.00 54.79 53.00 1uj1 n ASP 176 Cb 0.67 -0.77 0.34 0.00 -1.14 0.00 0.00 41.12 40.22 1uj1 n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1uj1 n LEU 177 N 0.00 0.09 -1.02 -2.12 7.99 -1.26 -1.74 117.00 118.93 1uj1 n LEU 177 Ca 0.12 -0.04 0.11 0.00 -0.01 0.00 0.00 56.01 56.19 1uj1 n LEU 177 Cb 0.44 -0.01 0.18 0.00 -0.11 0.00 0.00 43.42 43.92 1uj1 n LEU 177 CO 0.32 0.02 0.66 -0.62 -1.51 0.00 0.00 177.39 176.26 1uj1 n GLU 178 N -0.63 2.31 -1.01 3.23 1.02 -1.26 -4.96 120.64 119.34 1uj1 n GLU 178 Ca 0.09 -2.11 -0.00 0.00 -0.02 0.00 0.00 57.16 55.11 1uj1 n GLU 178 Cb 0.05 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1uj1 n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uj1 n GLY 179 N 1.32 0.47 3.60 0.62 0.00 -0.71 -4.48 105.19 106.01 1uj1 n GLY 179 Ca 0.17 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1uj1 n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uj1 s LYS 180 N -1.01 4.00 0.65 1.61 2.47 -1.26 -1.48 119.74 124.72 1uj1 s LYS 180 Ca 0.00 0.03 -0.18 0.00 -1.56 0.00 0.00 55.97 54.27 1uj1 s LYS 180 Cb 0.00 -3.66 -0.02 0.00 -1.46 0.00 0.00 37.83 32.69 1uj1 s LYS 180 CO 0.00 -0.29 1.12 1.19 0.16 0.00 0.00 175.35 177.52 1uj1 n PHE 181 N 5.34 1.29 -3.54 4.03 3.01 -1.26 -1.52 117.46 124.81 1uj1 n PHE 181 Ca -0.08 0.42 -0.37 0.00 1.01 0.00 0.00 57.45 58.43 1uj1 n PHE 181 Cb 0.51 -2.18 -0.08 0.00 -0.01 0.00 0.00 39.48 37.72 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 -1.53 3.41 0.00 1.38 2.02 -0.52 -4.84 117.35 117.27 1uj1 s TYR 182 Ca 0.79 0.50 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 1uj1 s TYR 182 Cb -0.38 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 38.82 1uj1 s TYR 182 CO 0.44 0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.99 1uj1 n GLY 183 N 3.70 -0.58 0.00 0.71 0.00 -1.26 -4.37 105.19 103.38 1uj1 n GLY 183 Ca -0.12 -1.76 0.14 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.60 0.82 -0.94 1.61 -0.04 -1.26 -4.93 135.00 129.67 1uj1 n PRO 184 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.14 1uj1 n PRO 184 Cb 0.00 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.10 1uj1 n PRO 184 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1uj1 n PHE 185 N -1.04 1.09 -4.05 0.54 3.72 -1.26 -5.06 117.46 111.39 1uj1 n PHE 185 Ca 0.20 0.40 -0.11 0.00 -0.05 0.00 0.00 57.45 57.89 1uj1 n PHE 185 Cb 0.12 -2.06 -0.11 0.00 -0.94 0.00 0.00 39.48 36.48 1uj1 n PHE 185 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1uj1 s VAL 186 N -2.32 0.42 -1.26 -4.37 -7.23 -1.26 -4.84 120.40 99.54 1uj1 s VAL 186 Ca 0.71 -1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 59.58 1uj1 s VAL 186 Cb -0.27 -0.66 0.13 0.00 0.56 0.00 0.00 36.38 36.14 1uj1 s VAL 186 CO 0.54 -0.50 1.62 -0.90 -0.31 0.00 0.00 175.10 175.55 1uj1 n ASP 187 N 1.28 5.05 -3.57 4.85 5.75 -1.26 -4.81 116.55 123.84 1uj1 n ASP 187 Ca -0.22 -2.97 -0.05 0.00 -0.01 0.00 0.00 54.79 51.54 1uj1 n ASP 187 Cb 0.56 -1.62 -0.02 0.00 -1.03 0.00 0.00 41.12 39.01 1uj1 n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uj1 s ARG 188 N 2.34 0.49 -0.52 0.11 1.70 -1.26 -4.92 118.95 116.89 1uj1 s ARG 188 Ca 0.46 -0.19 -0.27 0.00 -0.47 0.00 0.00 55.73 55.26 1uj1 s ARG 188 Cb 0.01 0.22 0.03 0.00 -0.57 0.00 0.00 34.95 34.65 1uj1 s ARG 188 CO 0.02 -0.22 1.09 -1.14 -1.08 0.00 0.00 175.30 173.97 1uj1 s GLN 189 N -2.66 3.57 0.09 3.89 2.00 0.82 -4.97 119.66 122.40 1uj1 s GLN 189 Ca 0.08 0.28 0.01 0.00 -2.00 0.00 0.00 55.36 53.74 1uj1 s GLN 189 Cb -0.01 -3.96 -0.01 0.00 0.80 0.00 0.00 33.01 29.83 1uj1 s GLN 189 CO -0.06 -1.46 0.05 0.25 -0.50 0.00 0.00 175.29 173.57 1uj1 n THR 190 N 6.63 0.00 1.62 -0.34 -2.24 -1.26 -4.68 114.28 114.01 1uj1 n THR 190 Ca 0.08 -0.58 0.15 0.00 -2.27 0.00 0.00 64.05 61.43 1uj1 n THR 190 Cb 0.49 0.25 0.64 0.00 -2.10 0.00 0.00 70.33 69.61 1uj1 n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uj1 n ALA 191 N -2.49 2.65 -1.44 6.98 0.00 -1.26 -4.96 120.51 119.99 1uj1 n ALA 191 Ca -0.03 -0.36 -0.48 0.00 0.00 0.00 0.00 53.44 52.57 1uj1 n ALA 191 Cb 0.15 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1uj1 n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uj1 n GLN 192 N -0.30 0.26 -3.70 0.00 10.64 -1.26 -5.01 117.38 118.01 1uj1 n GLN 192 Ca 0.20 0.09 -0.14 0.00 -1.83 0.00 0.00 57.00 55.32 1uj1 n GLN 192 Cb 0.28 -1.17 -0.08 0.00 -0.86 0.00 0.00 30.24 28.41 1uj1 n GLN 192 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1uj1 s ALA 193 N -0.98 -1.00 0.32 2.61 0.00 -1.26 -4.68 121.76 116.77 1uj1 s ALA 193 Ca 0.64 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 1uj1 s ALA 193 Cb -0.89 0.10 -0.11 0.00 0.00 0.00 0.00 23.12 22.21 1uj1 s ALA 193 CO 0.57 -0.31 1.58 0.00 0.00 0.00 0.00 175.76 177.60 1uj1 n ALA 194 N 1.10 2.58 -1.93 0.00 0.00 -1.26 -5.00 120.51 115.99 1uj1 n ALA 194 Ca -0.21 0.36 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 1uj1 n ALA 194 Cb 0.57 -2.46 0.15 0.00 0.00 0.00 0.00 19.45 17.70 1uj1 n ALA 194 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1uj1 s GLY 195 N 0.33 1.73 0.48 0.00 0.00 -1.26 -4.99 107.32 103.62 1uj1 s GLY 195 Ca 0.61 -1.10 -0.24 0.00 0.00 0.00 0.00 44.72 43.99 1uj1 s GLY 195 CO 0.53 -0.44 1.31 -1.30 0.00 0.00 0.00 173.10 173.20 1uj1 n THR 196 N -3.54 3.10 -4.02 0.90 -2.24 -1.26 -4.90 114.28 102.31 1uj1 n THR 196 Ca 0.13 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 61.19 1uj1 n THR 196 Cb 0.60 -1.62 -0.05 0.00 -2.10 0.00 0.00 70.33 67.16 1uj1 n THR 196 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uj1 s ASP 197 N -0.70 4.90 0.29 3.42 3.68 -1.26 -4.70 116.67 122.30 1uj1 s ASP 197 Ca 0.66 -0.66 0.04 0.00 2.13 0.00 0.00 52.55 54.72 1uj1 s ASP 197 Cb -0.46 -0.84 -0.06 0.00 -1.45 0.00 0.00 42.92 40.11 1uj1 s ASP 197 CO 0.54 -0.29 0.02 0.42 0.13 0.00 0.00 175.17 176.00 1uj1 s THR 198 N -2.37 1.24 0.15 1.71 -4.23 -1.26 -5.03 115.64 105.85 1uj1 s THR 198 Ca 0.38 -2.03 -0.26 0.00 -1.18 0.00 0.00 61.69 58.60 1uj1 s THR 198 Cb -0.04 -2.61 -0.08 0.00 1.34 0.00 0.00 72.50 71.11 1uj1 s THR 198 CO 0.24 -0.14 0.79 -0.89 -0.54 0.00 0.00 174.62 174.08 1uj1 s THR 199 N -3.27 4.40 -1.00 3.99 2.01 -0.48 -4.62 115.64 116.66 1uj1 s THR 199 Ca 0.33 1.73 -0.22 0.00 0.31 0.00 0.00 61.69 63.85 1uj1 s THR 199 Cb 0.07 -4.15 0.08 0.00 0.01 0.00 0.00 72.50 68.50 1uj1 s THR 199 CO 0.13 0.49 1.36 -0.63 -0.69 0.00 0.00 174.62 175.28 1uj1 s ILE 200 N -0.96 4.18 0.25 1.82 1.01 -1.26 -0.98 121.20 125.26 1uj1 s ILE 200 Ca 0.37 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1uj1 s ILE 200 Cb -0.23 -4.98 0.23 0.00 0.01 0.00 0.00 42.46 37.49 1uj1 s ILE 200 CO 0.26 -1.81 1.76 0.74 0.00 0.00 0.00 174.94 175.90 1uj1 h THR 201 N 6.47 0.75 -0.89 2.92 2.02 -1.93 -0.13 112.91 122.11 1uj1 h THR 201 Ca 0.19 -0.21 0.10 0.00 0.77 0.00 0.00 66.41 67.26 1uj1 h THR 201 Cb 1.01 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 1uj1 h THR 201 CO 1.33 0.11 0.53 0.25 0.37 0.00 0.00 175.52 178.11 1uj1 h LEU 202 N 0.60 0.78 -0.20 2.58 5.85 -1.90 -0.77 115.31 122.26 1uj1 h LEU 202 Ca 0.43 0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.97 1uj1 h LEU 202 Cb 0.59 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.51 1uj1 h LEU 202 CO -0.35 0.45 -0.84 0.78 -0.34 0.00 0.00 178.44 178.14 1uj1 h ASN 203 N 0.89 0.75 -0.73 1.25 2.35 -1.28 -0.45 115.58 118.36 1uj1 h ASN 203 Ca 0.43 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1uj1 h ASN 203 Cb 0.37 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1uj1 h ASN 203 CO -0.24 1.31 0.43 0.58 -1.65 0.00 0.00 177.43 177.86 1uj1 h VAL 204 N 0.40 1.21 -0.49 2.81 2.07 -0.91 0.69 116.25 122.03 1uj1 h VAL 204 Ca -0.07 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1uj1 h VAL 204 Cb 1.46 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1uj1 h VAL 204 CO 0.16 0.23 0.09 -0.07 0.02 0.00 0.00 177.57 178.00 1uj1 h LEU 205 N 1.00 0.78 -0.50 2.57 3.38 -0.99 -0.24 115.31 121.32 1uj1 h LEU 205 Ca 0.26 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1uj1 h LEU 205 Cb -0.01 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 1uj1 h LEU 205 CO -0.05 0.84 0.08 0.00 0.09 0.00 0.00 178.44 179.40 1uj1 h ALA 206 N 0.97 0.54 -0.56 1.53 0.00 -0.41 -1.04 119.26 120.29 1uj1 h ALA 206 Ca 0.15 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1uj1 h ALA 206 Cb 0.38 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1uj1 h ALA 206 CO 0.01 -0.32 0.23 2.35 0.00 0.00 0.00 179.25 181.52 1uj1 h TRP 207 N 0.21 0.81 -0.22 0.00 7.01 -0.25 0.49 115.95 124.01 1uj1 h TRP 207 Ca 0.25 -0.04 -0.10 0.00 2.11 0.00 0.00 58.89 61.11 1uj1 h TRP 207 Cb 0.34 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1uj1 h TRP 207 CO -0.24 0.62 -0.30 -0.07 -2.79 0.00 0.00 178.44 175.66 1uj1 h LEU 208 N 0.80 0.44 -0.52 0.65 3.38 -0.19 0.58 115.31 120.44 1uj1 h LEU 208 Ca 0.19 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1uj1 h LEU 208 Cb 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1uj1 h LEU 208 CO -0.02 0.72 -0.04 1.88 0.09 0.00 0.00 178.44 181.08 1uj1 h TYR 209 N 0.37 1.05 -0.79 1.13 0.05 -0.04 -1.55 116.97 117.19 1uj1 h TYR 209 Ca 0.05 -0.20 0.08 0.00 0.05 0.00 0.00 58.73 58.72 1uj1 h TYR 209 Cb 0.72 -0.27 -0.07 0.00 1.01 0.00 0.00 36.73 38.12 1uj1 h TYR 209 CO 0.02 0.97 0.45 0.00 -1.05 0.00 0.00 178.16 178.55 1uj1 h ALA 210 N 0.93 1.11 0.01 3.88 0.00 -0.33 0.31 119.26 125.16 1uj1 h ALA 210 Ca 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1uj1 h ALA 210 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1uj1 h ALA 210 CO 0.03 0.10 -0.00 0.00 0.00 0.00 0.00 179.25 179.38 1uj1 h ALA 211 N 1.43 -0.01 -0.63 0.00 0.00 -0.33 -0.63 119.26 119.08 1uj1 h ALA 211 Ca 0.37 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1uj1 h ALA 211 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1uj1 h ALA 211 CO -0.23 -0.49 0.41 0.28 0.00 0.00 0.00 179.25 179.22 1uj1 h VAL 212 N -0.04 1.14 -0.60 0.00 2.07 -0.46 0.80 116.25 119.16 1uj1 h VAL 212 Ca -0.00 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1uj1 h VAL 212 Cb 0.04 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1uj1 h VAL 212 CO 0.00 0.15 0.39 -0.29 0.02 0.00 0.00 177.57 177.85 1uj1 h ILE 213 N 0.83 1.05 -0.27 4.57 -0.00 -0.01 -0.00 117.51 123.68 1uj1 h ILE 213 Ca 0.24 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 64.87 1uj1 h ILE 213 Cb -0.06 0.33 0.00 0.00 -0.00 0.00 0.00 36.82 37.09 1uj1 h ILE 213 CO -0.07 0.12 0.00 0.59 -0.00 0.00 0.00 178.15 178.79 1uj1 n ASN 214 N -4.47 1.77 0.00 2.19 3.02 -0.28 -4.90 115.26 112.58 1uj1 n ASN 214 Ca 0.07 -2.07 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1uj1 n ASN 214 Cb 0.16 -0.26 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 0.82 0.73 3.30 7.41 0.00 -0.01 -5.01 105.19 112.42 1uj1 n GLY 215 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 1uj1 n GLY 215 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uj1 s ASP 216 N -2.44 6.15 -0.02 1.61 -1.08 0.13 -4.86 116.67 116.16 1uj1 s ASP 216 Ca 0.00 -1.83 0.04 0.00 -0.52 0.00 0.00 52.55 50.23 1uj1 s ASP 216 Cb 0.00 -2.19 0.06 0.00 -1.46 0.00 0.00 42.92 39.33 1uj1 s ASP 216 CO 0.00 -0.83 0.98 -2.11 0.52 0.00 0.00 175.17 173.73 1uj1 n ARG 217 N 5.17 0.32 0.15 4.34 1.85 -1.26 -3.07 116.66 124.16 1uj1 n ARG 217 Ca -0.12 -1.27 0.18 0.00 -1.00 0.00 0.00 57.85 55.64 1uj1 n ARG 217 Cb 0.40 -0.70 0.78 0.00 -1.05 0.00 0.00 32.46 31.89 1uj1 n ARG 217 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 1uj1 h TRP 218 N 0.00 0.00 -0.00 2.89 5.08 -1.96 -2.06 115.95 119.90 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 1.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.42 1uj1 h TRP 218 CO 0.07 0.00 -0.05 1.97 -1.28 0.00 0.00 178.44 179.15 1uj1 n PHE 219 N -3.87 0.00 -2.18 0.12 1.16 -1.26 -4.88 117.46 106.55 1uj1 n PHE 219 Ca 0.04 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.26 1uj1 n PHE 219 Cb 0.44 -0.34 0.01 0.00 -1.61 0.00 0.00 39.48 37.98 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 -2.72 3.83 0.00 5.98 1.43 -0.78 -4.73 118.68 121.69 1uj1 s LEU 220 Ca 0.23 2.31 0.04 0.00 -1.03 0.00 0.00 54.13 55.68 1uj1 s LEU 220 Cb 0.20 -4.44 -0.02 0.00 0.03 0.00 0.00 46.19 41.96 1uj1 s LEU 220 CO 0.50 -1.21 0.15 -0.46 0.23 0.00 0.00 176.35 175.56 1uj1 n ASN 221 N -1.05 0.39 -1.07 2.29 0.23 -1.26 -5.05 115.26 109.74 1uj1 n ASN 221 Ca 0.10 -2.60 0.10 0.00 -0.53 0.00 0.00 54.58 51.65 1uj1 n ASN 221 Cb 0.49 0.97 0.26 0.00 -2.08 0.00 0.00 39.78 39.43 1uj1 n ASN 221 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1uj1 n ARG 222 N -0.58 2.35 -4.11 -3.83 0.00 -1.26 -4.96 116.66 104.26 1uj1 n ARG 222 Ca 0.00 -2.08 -0.27 0.00 -0.00 0.00 0.00 57.85 55.50 1uj1 n ARG 222 Cb 0.45 -1.46 -0.04 0.00 0.00 0.00 0.00 32.46 31.40 1uj1 n ARG 222 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1uj1 s PHE 223 N -1.29 2.02 0.24 -0.14 0.40 -1.26 -5.15 117.98 112.79 1uj1 s PHE 223 Ca 0.39 -0.77 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 1uj1 s PHE 223 Cb 0.21 -1.88 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1uj1 s PHE 223 CO 0.28 -0.12 0.21 -2.37 0.70 0.00 0.00 175.22 173.91 1uj1 n THR 224 N -1.50 0.00 -3.65 0.64 5.66 -1.26 -4.64 114.28 109.53 1uj1 n THR 224 Ca -0.05 -1.70 -0.11 0.00 -3.05 0.00 0.00 64.05 59.14 1uj1 n THR 224 Cb 0.65 0.86 -0.05 0.00 -1.55 0.00 0.00 70.33 70.24 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 -2.95 0.07 0.55 1.09 -1.32 -1.23 -4.85 115.64 107.01 1uj1 s THR 225 Ca 0.28 -0.54 -0.17 0.00 -1.21 0.00 0.00 61.69 60.05 1uj1 s THR 225 Cb 0.01 -1.10 -0.06 0.00 -1.51 0.00 0.00 72.50 69.85 1uj1 s THR 225 CO 0.20 -0.30 1.03 -0.89 -2.21 0.00 0.00 174.62 172.45 1uj1 s THR 226 N -3.37 4.04 0.13 5.08 2.01 -1.26 -4.83 115.64 117.45 1uj1 s THR 226 Ca 0.00 1.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.86 1uj1 s THR 226 Cb 0.01 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 1uj1 s THR 226 CO -0.09 -0.52 1.67 0.25 -0.69 0.00 0.00 174.62 175.24 1uj1 h LEU 227 N 0.77 0.53 -1.00 4.42 6.46 -1.99 -1.31 115.31 123.20 1uj1 h LEU 227 Ca -0.47 -0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.07 1uj1 h LEU 227 Cb 1.21 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1uj1 h LEU 227 CO 0.59 0.56 0.16 -1.13 -0.62 0.00 0.00 178.44 178.00 1uj1 h ASN 228 N 0.47 0.82 0.43 1.25 -1.24 -1.95 -0.60 115.58 114.77 1uj1 h ASN 228 Ca 0.13 -0.14 -0.11 0.00 0.71 0.00 0.00 56.30 56.89 1uj1 h ASN 228 Cb 0.20 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1uj1 h ASN 228 CO -0.01 0.79 -0.49 0.44 -1.29 0.00 0.00 177.43 176.87 1uj1 h ASP 229 N 0.85 0.07 -0.06 1.15 3.45 -1.87 -1.40 116.42 118.60 1uj1 h ASP 229 Ca 0.19 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 1uj1 h ASP 229 Cb 0.28 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1uj1 h ASP 229 CO -0.00 0.55 -0.03 0.15 -1.57 0.00 0.00 179.24 178.34 1uj1 h PHE 230 N 0.05 0.15 -0.54 4.55 3.57 -0.62 -2.99 116.94 121.11 1uj1 h PHE 230 Ca -0.00 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1uj1 h PHE 230 Cb 0.89 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1uj1 h PHE 230 CO 0.00 0.50 0.21 -0.91 -2.23 0.00 0.00 178.31 175.89 1uj1 h ASN 231 N -0.24 0.72 -0.91 0.41 2.35 -1.01 0.54 115.58 117.43 1uj1 h ASN 231 Ca 0.01 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1uj1 h ASN 231 Cb 0.46 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 1uj1 h ASN 231 CO 0.01 0.65 0.59 -0.07 -1.65 0.00 0.00 177.43 176.96 1uj1 h LEU 232 N 0.78 0.93 0.00 1.61 3.38 -1.24 0.35 115.31 121.12 1uj1 h LEU 232 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1uj1 h LEU 232 Cb 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1uj1 h LEU 232 CO -0.02 0.60 -0.12 0.58 0.09 0.00 0.00 178.44 179.58 1uj1 h VAL 233 N 1.06 0.18 -0.83 1.22 2.07 -1.22 -3.36 116.25 115.37 1uj1 h VAL 233 Ca 0.38 -1.15 0.16 0.00 0.82 0.00 0.00 66.70 66.92 1uj1 h VAL 233 Cb 0.16 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 30.18 1uj1 h VAL 233 CO -0.14 0.06 0.38 0.00 0.02 0.00 0.00 177.57 177.89 1uj1 h ALA 234 N -0.90 1.24 0.00 1.67 0.00 -0.90 0.17 119.26 120.54 1uj1 h ALA 234 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uj1 h ALA 234 Cb 0.21 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1uj1 h ALA 234 CO -0.00 -0.18 -0.01 0.52 0.00 0.00 0.00 179.25 179.57 1uj1 h MET 235 N 0.51 0.00 0.00 0.00 2.86 -1.09 0.94 114.93 118.15 1uj1 h MET 235 Ca 0.47 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 58.06 1uj1 h MET 235 Cb 0.73 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1uj1 h MET 235 CO -0.41 0.01 -0.22 0.87 1.06 0.00 0.00 176.91 178.21 1uj1 h LYS 236 N 0.00 0.00 -0.68 1.72 1.79 -0.80 -2.50 116.57 116.10 1uj1 h LYS 236 Ca -0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1uj1 h LYS 236 Cb 0.04 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.63 1uj1 h LYS 236 CO 0.00 0.22 0.13 0.66 -1.08 0.00 0.00 179.45 179.38 1uj1 n TYR 237 N -3.46 2.21 -3.10 -1.35 4.02 0.29 -4.92 117.16 110.85 1uj1 n TYR 237 Ca -0.00 -0.92 -0.19 0.00 -0.01 0.00 0.00 57.90 56.77 1uj1 n TYR 237 Cb 0.40 -0.59 0.04 0.00 -0.02 0.00 0.00 39.34 39.18 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 0.26 -5.56 -4.90 7.72 5.15 -0.94 -4.89 115.26 112.09 1uj1 n ASN 238 Ca 0.33 -0.32 -0.32 0.00 -0.60 0.00 0.00 54.58 53.67 1uj1 n ASN 238 Cb 1.26 -4.31 -0.05 0.00 -0.53 0.00 0.00 39.78 36.15 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 -3.16 3.51 0.45 1.20 1.51 -0.99 -1.39 117.35 118.49 1uj1 s TYR 239 Ca 0.35 0.51 -0.24 0.00 -1.01 0.00 0.00 57.07 56.68 1uj1 s TYR 239 Cb -0.15 -1.96 -0.07 0.00 -0.11 0.00 0.00 41.96 39.66 1uj1 s TYR 239 CO 0.43 0.50 1.28 -1.21 -1.11 0.00 0.00 175.55 175.44 1uj1 s GLU 240 N -2.43 3.73 0.51 -0.62 0.41 -0.16 -4.22 118.70 115.92 1uj1 s GLU 240 Ca 0.37 2.07 -0.23 0.00 -0.41 0.00 0.00 54.97 56.78 1uj1 s GLU 240 Cb -0.13 -2.55 -0.06 0.00 -1.78 0.00 0.00 34.13 29.61 1uj1 s GLU 240 CO 0.23 -0.67 1.31 -2.14 -0.49 0.00 0.00 175.26 173.51 1uj1 s PRO 241 N -2.51 3.39 -0.14 0.39 0.02 -1.26 -4.58 135.00 130.31 1uj1 s PRO 241 Ca 0.62 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.61 1uj1 s PRO 241 Cb -0.36 -2.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.75 1uj1 s PRO 241 CO 0.45 -0.96 0.39 -1.17 -0.33 0.00 0.00 177.00 175.38 1uj1 s LEU 242 N -3.26 4.26 0.45 -5.54 2.96 -1.26 -4.97 118.68 111.32 1uj1 s LEU 242 Ca 0.68 0.67 0.08 0.00 -0.22 0.00 0.00 54.13 55.33 1uj1 s LEU 242 Cb -0.38 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 43.78 1uj1 s LEU 242 CO 0.45 0.05 0.50 0.42 -1.32 0.00 0.00 176.35 176.46 1uj1 s THR 243 N 0.53 2.65 0.39 3.68 -4.23 -1.26 -4.98 115.64 112.42 1uj1 s THR 243 Ca 0.21 -1.18 0.08 0.00 -1.18 0.00 0.00 61.69 59.62 1uj1 s THR 243 Cb -0.14 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 71.07 1uj1 s THR 243 CO 0.07 0.00 1.97 -0.61 -0.54 0.00 0.00 174.62 175.51 1uj1 h GLN 244 N 0.76 0.38 -0.39 3.99 5.75 -2.00 -0.61 115.11 122.99 1uj1 h GLN 244 Ca -0.39 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 57.97 1uj1 h GLN 244 Cb 1.28 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 1uj1 h GLN 244 CO 0.51 0.38 -0.11 0.22 -2.65 0.00 0.00 178.83 177.18 1uj1 h ASP 245 N 0.38 0.68 -0.66 -0.69 -0.00 -2.00 -1.96 116.42 112.18 1uj1 h ASP 245 Ca 0.09 -0.19 -0.07 0.00 -0.00 0.00 0.00 57.03 56.85 1uj1 h ASP 245 Cb 0.19 -0.18 -0.03 0.00 -0.00 0.00 0.00 39.33 39.31 1uj1 h ASP 245 CO -0.00 0.82 0.12 0.45 -0.00 0.00 0.00 179.24 180.63 1uj1 h HIS 246 N 0.63 1.14 -0.47 0.28 3.86 -1.52 -1.03 115.15 118.05 1uj1 h HIS 246 Ca 0.11 -0.15 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1uj1 h HIS 246 Cb 0.56 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 1uj1 h HIS 246 CO 0.03 0.96 0.25 0.28 0.86 0.00 0.00 177.93 180.30 1uj1 h VAL 247 N 1.00 0.98 -0.50 2.45 2.07 -0.95 -1.76 116.25 119.53 1uj1 h VAL 247 Ca 0.20 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1uj1 h VAL 247 Cb 0.42 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1uj1 h VAL 247 CO 0.01 0.09 0.10 0.44 0.02 0.00 0.00 177.57 178.23 1uj1 h ASP 248 N 0.49 0.72 -0.02 0.57 3.45 -1.07 -2.30 116.42 118.25 1uj1 h ASP 248 Ca 0.20 -0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 1uj1 h ASP 248 Cb 0.09 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 1uj1 h ASP 248 CO -0.13 0.72 -0.09 0.40 -1.57 0.00 0.00 179.24 178.57 1uj1 h ILE 249 N 0.74 1.16 -0.00 0.35 2.04 -0.34 -0.97 117.51 120.48 1uj1 h ILE 249 Ca 0.16 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1uj1 h ILE 249 Cb 0.30 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1uj1 h ILE 249 CO 0.00 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.55 1uj1 n LEU 250 N -4.31 0.04 -0.12 1.44 4.77 -0.87 -4.33 117.00 113.63 1uj1 n LEU 250 Ca -0.01 -0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 1uj1 n LEU 250 Cb 0.24 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1uj1 n LEU 250 CO 0.37 0.01 0.70 1.23 -1.33 0.00 0.00 177.39 178.37 1uj1 h GLY 251 N 5.03 -0.00 0.63 -0.72 0.00 -1.03 -0.63 103.07 106.36 1uj1 h GLY 251 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.70 1uj1 h GLY 251 CO 0.00 -0.20 0.46 -2.55 0.00 0.00 0.00 176.54 174.25 1uj1 h PRO 252 N -0.16 0.79 -0.50 4.80 0.11 -1.81 0.10 132.00 135.33 1uj1 h PRO 252 Ca 0.19 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 1uj1 h PRO 252 Cb 0.47 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1uj1 h PRO 252 CO -0.50 0.52 -0.15 -0.07 -0.21 0.00 0.00 178.00 177.60 1uj1 h LEU 253 N 0.82 0.96 -0.49 2.35 3.38 -1.75 -0.59 115.31 119.98 1uj1 h LEU 253 Ca 0.36 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1uj1 h LEU 253 Cb 0.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1uj1 h LEU 253 CO -0.20 1.10 0.30 -1.28 0.09 0.00 0.00 178.44 178.44 1uj1 h SER 254 N 0.84 0.58 -0.29 -0.43 0.87 -0.16 -1.84 113.55 113.12 1uj1 h SER 254 Ca 0.13 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1uj1 h SER 254 Cb 0.70 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1uj1 h SER 254 CO 0.05 0.45 -0.07 0.00 -0.53 0.00 0.00 176.83 176.73 1uj1 h ALA 255 N 1.15 0.40 -0.99 6.23 0.00 -0.83 0.37 119.26 125.59 1uj1 h ALA 255 Ca 0.18 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1uj1 h ALA 255 Cb -0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1uj1 h ALA 255 CO -0.03 0.22 0.64 0.37 0.00 0.00 0.00 179.25 180.45 1uj1 h GLN 256 N 0.32 1.12 0.00 0.00 4.15 -0.90 -2.84 115.11 116.96 1uj1 h GLN 256 Ca 0.07 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1uj1 h GLN 256 Cb 0.56 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1uj1 h GLN 256 CO 0.03 0.74 -1.02 0.25 -1.93 0.00 0.00 178.83 176.91 1uj1 n THR 257 N -4.50 0.07 -1.17 2.39 -2.24 -0.71 -4.96 114.28 103.17 1uj1 n THR 257 Ca 0.15 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 1uj1 n THR 257 Cb 0.19 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.43 0.82 3.19 3.38 0.00 0.12 -4.99 105.19 109.13 1uj1 n GLY 258 Ca 0.03 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.18 2.94 0.50 -0.61 1.01 -0.79 -5.02 121.20 117.07 1uj1 s ILE 259 Ca 0.00 -1.22 -0.23 0.00 0.00 0.00 0.00 60.65 59.20 1uj1 s ILE 259 Cb 0.00 -2.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.79 1uj1 s ILE 259 CO 0.00 0.03 1.30 0.00 0.00 0.00 0.00 174.94 176.27 1uj1 n ALA 260 N 4.64 1.42 -0.24 9.38 0.00 -1.26 -4.47 120.51 129.98 1uj1 n ALA 260 Ca -0.15 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 1uj1 n ALA 260 Cb 0.45 -2.31 0.09 0.00 0.00 0.00 0.00 19.45 17.68 1uj1 n ALA 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uj1 h VAL 261 N 1.64 1.01 0.00 0.00 2.07 -1.93 -0.72 116.25 118.33 1uj1 h VAL 261 Ca -0.50 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1uj1 h VAL 261 Cb 1.30 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1uj1 h VAL 261 CO 0.58 0.14 -0.19 -0.07 0.02 0.00 0.00 177.57 178.04 1uj1 h LEU 262 N 0.76 0.00 -0.20 2.57 3.38 -1.90 0.20 115.31 120.11 1uj1 h LEU 262 Ca 0.30 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.05 1uj1 h LEU 262 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1uj1 h LEU 262 CO -0.16 0.19 -0.74 0.44 0.09 0.00 0.00 178.44 178.27 1uj1 h ASP 263 N 0.00 0.92 -0.14 -0.43 3.32 -1.45 -1.76 116.42 116.89 1uj1 h ASP 263 Ca -0.00 -0.59 -0.07 0.00 0.02 0.00 0.00 57.03 56.40 1uj1 h ASP 263 Cb 0.50 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1uj1 h ASP 263 CO 0.03 1.38 -0.11 -0.03 -1.72 0.00 0.00 179.24 178.79 1uj1 h MET 264 N 0.55 0.48 -0.58 3.56 4.05 -0.03 -2.18 114.93 120.77 1uj1 h MET 264 Ca -0.04 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 1uj1 h MET 264 Cb 1.36 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 32.08 1uj1 h MET 264 CO 0.15 0.58 0.25 0.00 0.23 0.00 0.00 176.91 178.13 1uj1 h ALA 266 N 1.45 1.01 -0.50 0.00 0.00 -0.69 -0.33 119.26 120.21 1uj1 h ALA 266 Ca 0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1uj1 h ALA 266 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1uj1 h ALA 266 CO -0.02 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.01 1uj1 h ALA 267 N 1.15 0.66 -0.48 0.00 0.00 -1.10 -2.33 119.26 117.16 1uj1 h ALA 267 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1uj1 h ALA 267 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1uj1 h ALA 267 CO 0.00 0.33 0.24 1.25 0.00 0.00 0.00 179.25 181.07 1uj1 h LEU 268 N 0.69 0.62 -0.57 0.00 6.46 -0.79 -1.49 115.31 120.22 1uj1 h LEU 268 Ca 0.16 -0.12 0.08 0.00 -0.12 0.00 0.00 57.88 57.89 1uj1 h LEU 268 Cb 0.29 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 39.99 1uj1 h LEU 268 CO -0.00 0.56 0.21 0.50 -0.62 0.00 0.00 178.44 179.09 1uj1 h LYS 269 N 0.64 0.38 -0.72 1.25 3.64 -0.89 -0.01 116.57 120.85 1uj1 h LYS 269 Ca 0.17 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1uj1 h LYS 269 Cb 0.10 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1uj1 h LYS 269 CO -0.02 0.25 0.27 1.49 -2.27 0.00 0.00 179.45 179.17 1uj1 h GLU 270 N 0.39 1.09 -0.70 1.90 4.81 -1.07 -0.16 114.58 120.84 1uj1 h GLU 270 Ca 0.28 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1uj1 h GLU 270 Cb 0.33 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1uj1 h GLU 270 CO -0.28 0.91 0.28 -0.07 -0.73 0.00 0.00 179.01 179.12 1uj1 h LEU 271 N 1.04 0.95 -0.20 1.64 3.38 -0.50 0.21 115.31 121.83 1uj1 h LEU 271 Ca 0.24 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 1uj1 h LEU 271 Cb 0.24 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1uj1 h LEU 271 CO -0.02 0.84 -0.70 -0.07 0.09 0.00 0.00 178.44 178.59 1uj1 h LEU 272 N 1.01 0.97 -0.29 1.67 3.38 -0.51 0.68 115.31 122.23 1uj1 h LEU 272 Ca 0.24 -0.59 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 1uj1 h LEU 272 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1uj1 h LEU 272 CO -0.02 1.40 -0.68 1.56 0.09 0.00 0.00 178.44 180.79 1uj1 h GLN 273 N 0.59 0.00 -0.00 1.13 4.20 -0.89 -3.36 115.11 116.79 1uj1 h GLN 273 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1uj1 h GLN 273 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1uj1 h GLN 273 CO 0.15 0.68 -0.03 0.09 -0.67 0.00 0.00 178.83 179.05 1uj1 n ASN 274 N -3.41 0.40 -0.33 1.46 3.02 0.72 -5.08 115.26 112.03 1uj1 n ASN 274 Ca 0.00 -0.70 0.01 0.00 -0.03 0.00 0.00 54.58 53.87 1uj1 n ASN 274 Cb 0.75 0.66 -0.00 0.00 -0.61 0.00 0.00 39.78 40.57 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 0.69 -1.84 0.06 7.41 0.00 0.24 -4.46 105.19 107.28 1uj1 n GLY 275 Ca 0.00 -1.33 0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.92 0.53 -3.07 1.61 2.81 -1.26 -4.62 117.12 112.20 1uj1 n MET 276 Ca 0.00 -0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.75 1uj1 n MET 276 Cb 0.05 -1.68 0.06 0.00 -0.71 0.00 0.00 33.22 30.94 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 -2.36 -5.25 0.00 7.83 5.03 -1.26 -2.72 115.26 116.53 1uj1 n ASN 277 Ca -0.01 -0.60 0.00 0.00 0.87 0.00 0.00 54.58 54.84 1uj1 n ASN 277 Cb 0.52 -4.61 0.00 0.00 -1.02 0.00 0.00 39.78 34.68 1uj1 n ASN 277 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uj1 n GLY 278 N -1.23 1.37 3.60 7.41 0.00 -1.26 -4.95 105.19 110.13 1uj1 n GLY 278 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -0.45 0.23 1.61 1.81 -1.10 -5.07 118.95 115.98 1uj1 s ARG 279 Ca 0.00 0.39 0.03 0.00 -1.72 0.00 0.00 55.73 54.43 1uj1 s ARG 279 Cb 0.00 -1.65 -0.05 0.00 -0.45 0.00 0.00 34.95 32.80 1uj1 s ARG 279 CO 0.00 -3.29 0.01 0.95 -0.68 0.00 0.00 175.30 172.29 1uj1 s THR 280 N -2.85 0.90 -0.07 0.02 -4.23 -1.26 -4.75 115.64 103.40 1uj1 s THR 280 Ca 0.67 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1uj1 s THR 280 Cb -0.18 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.33 1uj1 s THR 280 CO 0.59 -0.29 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.73 1uj1 s ILE 281 N -3.51 0.47 -1.48 2.99 1.01 0.11 -4.72 121.20 116.07 1uj1 s ILE 281 Ca 0.29 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 1uj1 s ILE 281 Cb 0.06 -0.58 0.07 0.00 0.01 0.00 0.00 42.46 42.02 1uj1 s ILE 281 CO 0.09 0.26 0.87 0.18 0.00 0.00 0.00 174.94 176.34 1uj1 n LEU 282 N 4.87 -2.47 0.00 2.97 4.77 -1.26 -0.17 117.00 125.71 1uj1 n LEU 282 Ca -0.12 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1uj1 n LEU 282 Cb 0.50 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 1uj1 n LEU 282 CO 0.14 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1uj1 n GLY 283 N -1.61 2.40 3.85 -0.72 0.00 -1.26 -4.26 105.19 103.58 1uj1 n GLY 283 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.09 6.79 0.00 1.61 0.15 0.77 -4.96 113.70 114.97 1uj1 s SER 284 Ca 0.00 1.12 0.24 0.00 0.70 0.00 0.00 55.95 58.01 1uj1 s SER 284 Cb 0.00 -2.30 0.32 0.00 -1.71 0.00 0.00 66.02 62.32 1uj1 s SER 284 CO 0.00 -0.01 1.31 0.35 1.20 0.00 0.00 173.24 176.09 1uj1 n THR 285 N 0.35 0.00 -4.31 6.45 -2.24 -1.26 0.06 114.28 113.32 1uj1 n THR 285 Ca -0.02 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.22 1uj1 n THR 285 Cb 0.52 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.75 1uj1 n THR 285 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1uj1 s ILE 286 N -2.25 1.74 -0.35 2.28 1.10 -1.26 -4.96 121.20 117.50 1uj1 s ILE 286 Ca 0.25 -1.80 -0.25 0.00 -0.51 0.00 0.00 60.65 58.34 1uj1 s ILE 286 Cb 0.19 -1.73 0.01 0.00 0.15 0.00 0.00 42.46 41.08 1uj1 s ILE 286 CO 0.44 -0.25 0.90 -0.76 -2.11 0.00 0.00 174.94 173.15 1uj1 s LEU 287 N -2.44 4.03 0.19 8.50 1.43 -1.26 -4.90 118.68 124.22 1uj1 s LEU 287 Ca 0.12 0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 53.54 1uj1 s LEU 287 Cb -0.07 -3.22 -0.08 0.00 0.03 0.00 0.00 46.19 42.85 1uj1 s LEU 287 CO 0.06 -0.80 1.24 -1.61 0.23 0.00 0.00 176.35 175.47 1uj1 s GLU 288 N 3.34 4.45 -0.04 1.70 0.41 -1.26 -4.97 118.70 122.34 1uj1 s GLU 288 Ca 0.37 1.94 0.05 0.00 -0.41 0.00 0.00 54.97 56.92 1uj1 s GLU 288 Cb -0.13 -3.22 0.08 0.00 -1.78 0.00 0.00 34.13 29.08 1uj1 s GLU 288 CO 0.17 -0.15 0.96 -0.40 -0.49 0.00 0.00 175.26 175.35 1uj1 n ASP 289 N 2.56 1.55 -1.29 -0.19 3.85 -1.26 -3.70 116.55 118.07 1uj1 n ASP 289 Ca 0.05 -2.14 -0.08 0.00 -0.71 0.00 0.00 54.79 51.91 1uj1 n ASP 289 Cb 0.44 -0.14 0.17 0.00 -1.35 0.00 0.00 41.12 40.23 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 -0.63 2.12 -4.02 0.11 1.02 -1.26 -4.64 120.64 113.34 1uj1 n GLU 290 Ca 0.05 -3.37 -0.30 0.00 -0.02 0.00 0.00 57.16 53.51 1uj1 n GLU 290 Cb 0.45 -1.89 -0.16 0.00 -0.02 0.00 0.00 31.44 29.82 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 -3.34 2.28 0.68 -0.32 0.40 -1.26 -4.83 117.98 111.58 1uj1 s PHE 291 Ca 0.46 -1.36 -0.07 0.00 -0.60 0.00 0.00 56.93 55.36 1uj1 s PHE 291 Cb 0.41 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 42.36 1uj1 s PHE 291 CO -0.01 -0.70 1.00 0.95 0.70 0.00 0.00 175.22 177.17 1uj1 s THR 292 N 1.45 2.75 0.44 0.64 -4.23 -1.26 -4.50 115.64 110.93 1uj1 s THR 292 Ca 0.03 -0.10 0.12 0.00 -1.18 0.00 0.00 61.69 60.57 1uj1 s THR 292 Cb -0.14 -3.17 0.31 0.00 1.34 0.00 0.00 72.50 70.84 1uj1 s THR 292 CO -0.10 -0.19 2.02 -0.65 -0.54 0.00 0.00 174.62 175.15 1uj1 h PRO 293 N -0.52 0.39 -0.12 3.99 0.11 -1.90 -0.87 132.00 133.08 1uj1 h PRO 293 Ca -0.45 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.47 1uj1 h PRO 293 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1uj1 h PRO 293 CO 0.61 0.26 -0.65 0.35 -0.21 0.00 0.00 178.00 178.36 1uj1 h PHE 294 N 0.40 0.59 -0.68 0.65 3.57 -1.94 -2.15 116.94 117.38 1uj1 h PHE 294 Ca 0.22 -0.24 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1uj1 h PHE 294 Cb 0.34 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1uj1 h PHE 294 CO -0.00 0.98 0.22 -0.44 -2.23 0.00 0.00 178.31 176.83 1uj1 h ASP 295 N 0.33 0.97 -0.04 0.41 3.32 -1.54 0.15 116.42 120.02 1uj1 h ASP 295 Ca -0.01 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1uj1 h ASP 295 Cb 1.21 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1uj1 h ASP 295 CO 0.11 0.90 0.01 0.58 -1.72 0.00 0.00 179.24 179.13 1uj1 h VAL 296 N 1.01 1.20 0.01 -1.35 2.07 -1.19 0.15 116.25 118.16 1uj1 h VAL 296 Ca 0.22 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1uj1 h VAL 296 Cb 0.28 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1uj1 h VAL 296 CO -0.01 0.17 -0.09 0.58 0.02 0.00 0.00 177.57 178.24 1uj1 h VAL 297 N -0.18 0.78 -0.46 2.57 2.07 -1.19 0.57 116.25 120.42 1uj1 h VAL 297 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1uj1 h VAL 297 Cb 0.26 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1uj1 h VAL 297 CO 0.00 0.00 0.16 -0.09 0.02 0.00 0.00 177.57 177.66 1uj1 h ARG 298 N -0.15 0.32 0.00 1.57 2.43 -0.58 0.30 114.38 118.26 1uj1 h ARG 298 Ca 0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1uj1 h ARG 298 Cb 0.19 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1uj1 h ARG 298 CO -0.08 0.21 -0.24 1.96 -1.51 0.00 0.00 179.97 180.30 1uj1 h GLN 299 N 0.33 0.00 0.00 0.20 4.20 -0.19 -2.01 115.11 117.63 1uj1 h GLN 299 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1uj1 h GLN 299 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1uj1 h GLN 299 CO -0.22 0.15 -1.87 0.00 -0.67 0.00 0.00 178.83 176.22 1uj1 n SER 301 N -2.16 2.98 0.00 0.00 7.64 0.10 -4.97 113.62 117.21 1uj1 n SER 301 Ca -0.03 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 57.97 1uj1 n SER 301 Cb 0.54 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1uj1 n SER 301 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uj1 n GLY 302 N 0.94 0.02 0.00 0.23 0.00 -0.76 -4.99 105.19 100.63 1uj1 n GLY 302 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1uj1 n GLY 302 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70