#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjb n SER 3 N 0.00 0.00 -4.33 -1.12 2.88 -1.26 -4.90 113.62 104.88 1xjb n SER 3 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1xjb n SER 3 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1xjb n SER 3 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1xjb s LYS 4 N 0.00 2.03 0.26 -1.46 1.02 -1.26 -5.13 119.74 115.20 1xjb s LYS 4 Ca 0.00 -0.98 -0.19 0.00 0.02 0.00 0.00 55.97 54.82 1xjb s LYS 4 Cb 0.00 -2.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1xjb s LYS 4 CO 0.00 0.55 0.65 1.52 -0.92 0.00 0.00 175.35 177.15 1xjb s TYR 5 N -0.68 -0.08 -0.16 3.18 -0.85 -1.26 -5.15 117.35 112.34 1xjb s TYR 5 Ca 0.11 -0.34 -0.28 0.00 -0.52 0.00 0.00 57.07 56.04 1xjb s TYR 5 Cb -0.10 0.57 -0.01 0.00 0.38 0.00 0.00 41.96 42.81 1xjb s TYR 5 CO 0.00 -1.15 0.94 -0.65 -1.52 0.00 0.00 175.55 173.17 1xjb s GLN 6 N -3.93 4.33 0.19 -3.49 -0.21 -1.26 -5.02 119.66 110.26 1xjb s GLN 6 Ca 0.13 1.22 0.01 0.00 0.02 0.00 0.00 55.36 56.73 1xjb s GLN 6 Cb -0.04 -3.58 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 1xjb s GLN 6 CO 0.06 -0.40 0.05 0.00 -2.12 0.00 0.00 175.29 172.88 1xjb s VAL 8 N -3.82 1.80 -0.16 0.00 0.11 0.15 -4.86 120.40 113.63 1xjb s VAL 8 Ca 0.29 -1.68 -0.26 0.00 -2.93 0.00 0.00 61.98 57.40 1xjb s VAL 8 Cb 0.07 -1.68 -0.01 0.00 -1.53 0.00 0.00 36.38 33.22 1xjb s VAL 8 CO 0.07 -0.13 0.87 -0.75 -3.33 0.00 0.00 175.10 171.83 1xjb s LYS 9 N -2.20 4.32 0.66 1.54 2.20 -1.26 -0.32 119.74 124.68 1xjb s LYS 9 Ca 0.10 1.10 -0.09 0.00 -0.36 0.00 0.00 55.97 56.72 1xjb s LYS 9 Cb -0.09 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1xjb s LYS 9 CO 0.05 -0.34 1.02 -0.51 -0.36 0.00 0.00 175.35 175.21 1xjb s LEU 10 N 2.18 3.03 0.00 5.43 1.43 0.18 -4.95 118.68 125.98 1xjb s LEU 10 Ca 0.40 0.97 0.13 0.00 -1.03 0.00 0.00 54.13 54.61 1xjb s LEU 10 Cb -0.17 -3.78 0.70 0.00 0.03 0.00 0.00 46.19 42.97 1xjb s LEU 10 CO 0.13 -1.23 1.28 -0.46 0.23 0.00 0.00 176.35 176.30 1xjb n ASN 11 N -2.84 0.00 -0.92 2.29 0.23 -1.26 -1.20 115.26 111.56 1xjb n ASN 11 Ca 0.06 -0.10 0.07 0.00 -0.53 0.00 0.00 54.58 54.08 1xjb n ASN 11 Cb 0.57 -0.17 0.23 0.00 -2.08 0.00 0.00 39.78 38.33 1xjb n ASN 11 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1xjb n ASP 12 N -1.17 3.57 0.00 0.53 5.68 -1.26 -4.97 116.55 118.93 1xjb n ASP 12 Ca 0.08 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 1xjb n ASP 12 Cb 0.08 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1xjb n ASP 12 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xjb n GLY 13 N 0.46 2.29 3.88 6.12 0.00 -0.34 -5.06 105.19 112.53 1xjb n GLY 13 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1xjb n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xjb s HIS 14 N -2.37 3.45 -0.07 1.61 3.76 -1.26 -4.74 115.29 115.68 1xjb s HIS 14 Ca 0.00 1.10 0.03 0.00 -0.15 0.00 0.00 55.06 56.05 1xjb s HIS 14 Cb 0.00 -2.87 -0.02 0.00 1.11 0.00 0.00 32.58 30.80 1xjb s HIS 14 CO 0.00 -0.91 -0.16 -0.06 -0.85 0.00 0.00 174.74 172.76 1xjb s PHE 15 N -3.23 2.68 -0.15 1.40 0.40 -1.26 0.49 117.98 118.31 1xjb s PHE 15 Ca 0.56 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 56.53 1xjb s PHE 15 Cb -0.11 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 1xjb s PHE 15 CO 0.52 0.03 -0.13 1.41 0.70 0.00 0.00 175.22 177.75 1xjb s MET 16 N -0.39 3.33 0.32 0.44 -2.45 0.56 -4.89 119.30 116.22 1xjb s MET 16 Ca 0.04 -0.70 -0.29 0.00 -1.25 0.00 0.00 55.69 53.49 1xjb s MET 16 Cb -0.12 -2.67 -0.11 0.00 1.25 0.00 0.00 34.83 33.18 1xjb s MET 16 CO 0.02 0.11 1.45 -2.14 1.05 0.00 0.00 175.02 175.51 1xjb s PRO 17 N 0.61 4.21 0.17 4.11 0.02 -1.26 -0.67 135.00 142.19 1xjb s PRO 17 Ca -0.07 2.43 0.26 0.00 0.02 0.00 0.00 61.00 63.64 1xjb s PRO 17 Cb -0.16 -3.03 0.89 0.00 0.02 0.00 0.00 34.50 32.22 1xjb s PRO 17 CO 0.03 -0.44 1.80 1.33 -0.33 0.00 0.00 177.00 179.39 1xjb n VAL 18 N 1.24 0.50 -4.12 3.83 0.24 -0.48 -4.53 118.33 115.02 1xjb n VAL 18 Ca 0.03 -0.21 -0.35 0.00 -2.04 0.00 0.00 64.34 61.78 1xjb n VAL 18 Cb 0.40 -0.60 -0.14 0.00 -1.47 0.00 0.00 33.84 32.03 1xjb n VAL 18 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xjb s LEU 19 N -4.24 2.95 0.11 1.34 2.96 -1.26 -1.48 118.68 119.05 1xjb s LEU 19 Ca 0.11 -0.33 0.09 0.00 -0.22 0.00 0.00 54.13 53.77 1xjb s LEU 19 Cb 0.13 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1xjb s LEU 19 CO 0.57 0.04 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.65 1xjb s GLY 20 N 1.12 1.71 -0.26 7.98 0.00 0.21 -4.03 107.32 114.05 1xjb s GLY 20 Ca 0.02 -1.33 -0.09 0.00 0.00 0.00 0.00 44.72 43.31 1xjb s GLY 20 CO -0.01 -1.31 0.13 -0.12 0.00 0.00 0.00 173.10 171.80 1xjb s PHE 21 N -1.15 3.17 0.29 1.90 5.36 0.14 -0.45 117.98 127.23 1xjb s PHE 21 Ca 0.18 -0.11 -0.26 0.00 -0.96 0.00 0.00 56.93 55.78 1xjb s PHE 21 Cb -0.11 -2.31 -0.10 0.00 -0.34 0.00 0.00 43.02 40.17 1xjb s PHE 21 CO 0.11 -0.23 0.93 0.20 -1.46 0.00 0.00 175.22 174.76 1xjb s GLY 22 N 1.64 2.86 0.00 13.12 0.00 -0.55 -0.50 107.32 123.89 1xjb s GLY 22 Ca 0.07 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.31 1xjb s GLY 22 CO 0.07 0.98 0.59 -1.30 0.00 0.00 0.00 173.10 173.44 1xjb n THR 23 N 0.79 0.13 -2.36 0.90 -2.24 -1.01 -4.37 114.28 106.12 1xjb n THR 23 Ca 0.01 -0.56 -0.39 0.00 -2.27 0.00 0.00 64.05 60.84 1xjb n THR 23 Cb 0.49 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 1xjb n THR 23 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xjb s TYR 24 N -0.18 3.22 -0.10 4.78 5.04 -1.26 -4.94 117.35 123.90 1xjb s TYR 24 Ca 0.01 1.59 -0.09 0.00 -2.44 0.00 0.00 57.07 56.14 1xjb s TYR 24 Cb 0.01 -3.35 0.03 0.00 0.35 0.00 0.00 41.96 38.99 1xjb s TYR 24 CO 0.01 -1.07 0.27 0.00 -1.34 0.00 0.00 175.55 173.42 1xjb s ALA 25 N -1.37 -0.67 0.96 3.97 0.00 -1.26 -5.01 121.76 118.37 1xjb s ALA 25 Ca 0.53 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 53.16 1xjb s ALA 25 Cb -0.30 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1xjb s ALA 25 CO 0.39 -0.14 -0.02 -2.30 0.00 0.00 0.00 175.76 173.69 1xjb n PRO 26 N 3.08 -0.17 -0.32 0.00 -0.02 -1.26 -4.79 135.00 131.52 1xjb n PRO 26 Ca -0.14 -0.02 0.09 0.00 -2.02 0.00 0.00 63.50 61.40 1xjb n PRO 26 Cb 0.58 -1.55 0.25 0.00 -0.02 0.00 0.00 33.50 32.76 1xjb n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xjb h ALA 27 N -1.32 1.43 0.00 3.55 0.00 -2.00 -1.39 119.26 119.53 1xjb h ALA 27 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xjb h ALA 27 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xjb h ALA 27 CO 0.31 -0.02 0.00 1.05 0.00 0.00 0.00 179.25 180.59 1xjb h GLU 28 N 0.73 0.00 -6.06 0.00 9.09 -2.03 -3.42 114.58 112.89 1xjb h GLU 28 Ca 0.50 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 59.35 1xjb h GLU 28 Cb 0.69 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.74 1xjb h GLU 28 CO -0.35 0.00 0.05 0.08 0.05 0.00 0.00 179.01 178.84 1xjb s VAL 29 N -3.53 4.98 0.23 -1.06 1.01 -0.53 -5.00 120.40 116.50 1xjb s VAL 29 Ca 0.00 1.37 -0.31 0.00 0.00 0.00 0.00 61.98 63.05 1xjb s VAL 29 Cb 0.08 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1xjb s VAL 29 CO 0.33 0.32 1.53 -2.84 0.00 0.00 0.00 175.10 174.45 1xjb s PRO 30 N 0.38 4.21 0.45 2.72 0.02 -1.26 -4.85 135.00 136.66 1xjb s PRO 30 Ca 0.35 2.41 0.21 0.00 0.02 0.00 0.00 61.00 63.99 1xjb s PRO 30 Cb -0.18 -3.10 1.17 0.00 0.02 0.00 0.00 34.50 32.41 1xjb s PRO 30 CO 0.18 -0.55 1.61 0.87 -0.33 0.00 0.00 177.00 178.78 1xjb h LYS 31 N 5.59 0.00 0.00 5.54 1.79 -1.94 0.36 116.57 127.91 1xjb h LYS 31 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1xjb h LYS 31 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1xjb h LYS 31 CO 0.83 0.00 0.00 0.77 -1.08 0.00 0.00 179.45 179.97 1xjb h SER 32 N 0.00 0.00 1.26 0.86 0.02 -2.00 -2.80 113.55 110.88 1xjb h SER 32 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1xjb h SER 32 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1xjb h SER 32 CO 0.00 0.00 -0.30 0.11 -1.14 0.00 0.00 176.83 175.50 1xjb h LYS 33 N 0.00 0.00 -0.34 3.45 1.57 -1.28 -2.90 116.57 117.06 1xjb h LYS 33 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1xjb h LYS 33 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1xjb h LYS 33 CO 0.00 0.30 -0.35 0.00 -0.57 0.00 0.00 179.45 178.83 1xjb h ALA 34 N 1.70 0.74 -0.03 3.86 0.00 -1.66 -2.02 119.26 121.85 1xjb h ALA 34 Ca -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1xjb h ALA 34 Cb 1.01 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1xjb h ALA 34 CO 0.04 0.66 -0.24 1.25 0.00 0.00 0.00 179.25 180.96 1xjb h LEU 35 N 0.65 -0.71 -0.72 0.00 5.85 -1.60 -1.24 115.31 117.54 1xjb h LEU 35 Ca 0.06 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 1xjb h LEU 35 Cb 0.89 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1xjb h LEU 35 CO 0.08 -0.30 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.15 1xjb h GLU 36 N -0.36 0.52 -0.52 1.25 3.07 -1.54 -2.68 114.58 114.31 1xjb h GLU 36 Ca 0.07 -0.26 -0.06 0.00 -0.50 0.00 0.00 59.36 58.61 1xjb h GLU 36 Cb 0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1xjb h GLU 36 CO -0.23 0.83 0.08 0.00 -1.40 0.00 0.00 179.01 178.29 1xjb h ALA 37 N 1.14 0.70 -0.60 3.43 0.00 -1.07 -0.56 119.26 122.29 1xjb h ALA 37 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1xjb h ALA 37 Cb 0.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1xjb h ALA 37 CO 0.08 0.44 0.14 0.28 0.00 0.00 0.00 179.25 180.18 1xjb h VAL 38 N 0.75 1.25 -0.62 0.00 2.07 -1.21 0.14 116.25 118.64 1xjb h VAL 38 Ca 0.16 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1xjb h VAL 38 Cb 0.41 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1xjb h VAL 38 CO 0.01 0.34 0.41 0.11 0.02 0.00 0.00 177.57 178.46 1xjb h LYS 39 N 0.88 0.81 0.09 1.57 1.57 -1.09 -1.19 116.57 119.22 1xjb h LYS 39 Ca 0.19 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xjb h LYS 39 Cb 0.37 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xjb h LYS 39 CO 0.00 0.53 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.31 1xjb h LEU 40 N 0.83 -0.10 -0.74 2.94 3.38 -0.79 -0.88 115.31 119.95 1xjb h LEU 40 Ca 0.23 -0.24 0.17 0.00 0.09 0.00 0.00 57.88 58.12 1xjb h LEU 40 Cb -0.09 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.56 1xjb h LEU 40 CO -0.05 0.19 0.11 0.00 0.09 0.00 0.00 178.44 178.77 1xjb h ALA 41 N 0.49 0.88 0.23 1.53 0.00 -0.58 0.31 119.26 122.13 1xjb h ALA 41 Ca -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xjb h ALA 41 Cb 0.33 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xjb h ALA 41 CO 0.02 -0.39 -0.11 0.82 0.00 0.00 0.00 179.25 179.59 1xjb h ILE 42 N 0.19 0.80 -0.84 0.00 2.04 -0.97 0.30 117.51 119.02 1xjb h ILE 42 Ca 0.41 -0.16 0.18 0.00 1.00 0.00 0.00 64.86 66.30 1xjb h ILE 42 Cb 0.73 0.89 -0.11 0.00 -0.74 0.00 0.00 36.82 37.59 1xjb h ILE 42 CO -0.57 0.04 0.36 -0.33 0.00 0.00 0.00 178.15 177.65 1xjb h GLU 43 N -0.39 0.43 0.00 2.37 4.39 0.44 -0.61 114.58 121.21 1xjb h GLU 43 Ca -0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1xjb h GLU 43 Cb 0.30 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1xjb h GLU 43 CO 0.05 0.29 0.00 0.00 -1.16 0.00 0.00 179.01 178.19 1xjb h ALA 44 N 1.64 1.00 0.00 3.43 0.00 -0.26 -3.46 119.26 121.60 1xjb h ALA 44 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1xjb h ALA 44 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xjb h ALA 44 CO -0.47 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.19 1xjb n GLY 45 N -0.14 1.35 3.75 0.00 0.00 -0.24 -4.91 105.19 105.00 1xjb n GLY 45 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xjb n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xjb s PHE 46 N -2.00 3.13 0.00 1.61 0.40 0.10 -4.88 117.98 116.34 1xjb s PHE 46 Ca 0.00 1.22 0.00 0.00 -0.60 0.00 0.00 56.93 57.55 1xjb s PHE 46 Cb 0.00 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.84 1xjb s PHE 46 CO 0.00 -2.10 0.59 0.72 0.70 0.00 0.00 175.22 175.12 1xjb n HIS 47 N 1.98 0.00 -4.11 0.36 8.25 -1.26 -4.37 115.22 116.07 1xjb n HIS 47 Ca 0.04 -0.10 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 1xjb n HIS 47 Cb 0.42 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.35 1xjb n HIS 47 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1xjb s HIS 48 N -0.19 1.06 -0.09 4.41 5.65 -1.26 -0.38 115.29 124.49 1xjb s HIS 48 Ca 0.00 -0.40 0.01 0.00 0.25 0.00 0.00 55.06 54.93 1xjb s HIS 48 Cb 0.00 -0.91 0.02 0.00 -1.18 0.00 0.00 32.58 30.50 1xjb s HIS 48 CO 0.00 -0.31 -0.12 0.42 -0.65 0.00 0.00 174.74 174.07 1xjb s ILE 49 N 1.26 1.23 -0.24 0.89 -1.09 -0.05 0.25 121.20 123.45 1xjb s ILE 49 Ca -0.05 -0.49 -0.06 0.00 -2.23 0.00 0.00 60.65 57.82 1xjb s ILE 49 Cb -0.14 -1.15 -0.02 0.00 -1.58 0.00 0.00 42.46 39.57 1xjb s ILE 49 CO -0.02 0.39 0.03 -0.62 -1.23 0.00 0.00 174.94 173.48 1xjb s ASP 50 N 1.01 4.83 0.00 3.58 -1.08 0.35 -1.00 116.67 124.36 1xjb s ASP 50 Ca -0.07 -0.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 1xjb s ASP 50 Cb -0.15 -1.86 0.00 0.00 -1.46 0.00 0.00 42.92 39.46 1xjb s ASP 50 CO -0.01 -0.03 0.00 -0.24 0.52 0.00 0.00 175.17 175.41 1xjb n SER 51 N 4.88 0.13 -3.62 -0.34 2.88 -0.20 -2.41 113.62 114.94 1xjb n SER 51 Ca -0.17 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.33 1xjb n SER 51 Cb 0.51 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 1xjb n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xjb s ALA 52 N -2.00 -2.07 0.26 -1.46 0.00 -1.26 -3.81 121.76 111.43 1xjb s ALA 52 Ca 0.00 1.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 1xjb s ALA 52 Cb 0.00 -1.04 0.47 0.00 0.00 0.00 0.00 23.12 22.56 1xjb s ALA 52 CO 0.00 -0.33 1.83 1.25 0.00 0.00 0.00 175.76 178.51 1xjb h HIS 53 N 2.16 1.03 0.00 0.00 -0.00 -1.94 -2.48 115.15 113.92 1xjb h HIS 53 Ca -0.10 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1xjb h HIS 53 Cb 1.18 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.26 1xjb h HIS 53 CO 0.24 0.43 0.00 -0.24 -0.00 0.00 0.00 177.93 178.35 1xjb h VAL 54 N 0.93 0.00 0.00 5.26 3.04 -1.96 -1.76 116.25 121.76 1xjb h VAL 54 Ca 0.45 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1xjb h VAL 54 Cb 0.41 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1xjb h VAL 54 CO -0.25 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.09 1xjb n TYR 55 N -2.58 0.00 -3.58 3.17 4.01 -0.93 -4.92 117.16 112.32 1xjb n TYR 55 Ca 0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 1xjb n TYR 55 Cb 0.28 -0.47 0.02 0.00 -0.31 0.00 0.00 39.34 38.86 1xjb n TYR 55 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xjb n ASN 56 N -1.47 -4.92 -0.12 7.72 4.05 -0.66 -4.84 115.26 115.02 1xjb n ASN 56 Ca 0.06 -0.57 0.01 0.00 0.45 0.00 0.00 54.58 54.53 1xjb n ASN 56 Cb 0.25 -3.96 0.01 0.00 1.23 0.00 0.00 39.78 37.31 1xjb n ASN 56 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1xjb n ASN 57 N -2.65 0.68 0.11 1.20 0.23 -1.26 -4.86 115.26 108.72 1xjb n ASN 57 Ca -0.00 -1.65 0.02 0.00 -0.53 0.00 0.00 54.58 52.42 1xjb n ASN 57 Cb 0.55 -0.09 0.39 0.00 -2.08 0.00 0.00 39.78 38.55 1xjb n ASN 57 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xjb h GLU 58 N 0.00 0.25 -0.58 -3.83 5.08 -1.88 0.12 114.58 113.73 1xjb h GLU 58 Ca 0.00 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1xjb h GLU 58 Cb 0.98 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 1xjb h GLU 58 CO 0.00 0.38 0.29 0.93 -1.00 0.00 0.00 179.01 179.60 1xjb h GLU 59 N 0.24 0.52 0.01 2.33 5.08 -1.89 0.42 114.58 121.28 1xjb h GLU 59 Ca 0.05 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1xjb h GLU 59 Cb 0.36 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1xjb h GLU 59 CO 0.02 0.34 -0.37 1.96 -1.00 0.00 0.00 179.01 179.97 1xjb h GLN 60 N 0.54 0.23 -0.68 2.33 7.50 -1.63 -1.35 115.11 122.05 1xjb h GLN 60 Ca 0.27 -0.26 0.01 0.00 0.50 0.00 0.00 58.65 59.17 1xjb h GLN 60 Cb 0.21 0.08 -0.04 0.00 0.05 0.00 0.00 27.48 27.79 1xjb h GLN 60 CO -0.20 1.00 0.45 0.28 -1.50 0.00 0.00 178.83 178.85 1xjb h VAL 61 N -0.42 1.16 -0.14 -0.54 2.07 -0.75 0.13 116.25 117.75 1xjb h VAL 61 Ca -0.05 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1xjb h VAL 61 Cb 1.14 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1xjb h VAL 61 CO 0.07 0.17 0.04 1.23 0.02 0.00 0.00 177.57 179.10 1xjb h GLY 62 N 0.91 0.25 0.40 2.17 0.00 -0.92 -1.59 103.07 104.28 1xjb h GLY 62 Ca 0.26 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.50 1xjb h GLY 62 CO -0.06 0.14 -0.00 -2.00 0.00 0.00 0.00 176.54 174.61 1xjb h LEU 63 N 0.04 -0.16 -0.49 3.11 5.85 -0.36 0.77 115.31 124.07 1xjb h LEU 63 Ca 0.05 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1xjb h LEU 63 Cb 0.25 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 1xjb h LEU 63 CO -0.00 -0.04 -0.13 0.00 -0.34 0.00 0.00 178.44 177.93 1xjb h ALA 64 N 1.32 0.32 0.04 1.25 0.00 -0.69 0.29 119.26 121.80 1xjb h ALA 64 Ca 0.18 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xjb h ALA 64 Cb 0.25 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xjb h ALA 64 CO -0.31 -0.44 -0.02 0.82 0.00 0.00 0.00 179.25 179.30 1xjb h ILE 65 N -0.00 1.06 0.00 0.00 2.04 -0.85 -0.24 117.51 119.52 1xjb h ILE 65 Ca 0.24 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1xjb h ILE 65 Cb 0.36 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1xjb h ILE 65 CO -0.51 0.09 -0.09 0.03 0.00 0.00 0.00 178.15 177.67 1xjb h ARG 66 N -0.21 0.00 0.07 2.37 3.08 -0.57 -0.25 114.38 118.87 1xjb h ARG 66 Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 1xjb h ARG 66 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1xjb h ARG 66 CO 0.01 0.09 -1.25 1.03 -1.07 0.00 0.00 179.97 178.78 1xjb h SER 67 N 0.00 0.24 1.08 7.04 0.87 -0.05 -1.42 113.55 121.31 1xjb h SER 67 Ca -0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1xjb h SER 67 Cb 0.26 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1xjb h SER 67 CO 0.01 1.22 -0.34 0.29 -0.53 0.00 0.00 176.83 177.48 1xjb n LYS 68 N -3.41 0.24 0.00 2.24 4.76 -0.13 -3.09 118.16 118.77 1xjb n LYS 68 Ca -0.08 0.12 -0.01 0.00 -2.87 0.00 0.00 58.31 55.48 1xjb n LYS 68 Cb 1.00 -1.71 -0.01 0.00 -1.84 0.00 0.00 35.03 32.48 1xjb n LYS 68 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1xjb h ILE 69 N 0.00 0.00 0.00 -0.18 2.04 -0.97 -0.80 117.51 117.60 1xjb h ILE 69 Ca 0.00 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1xjb h ILE 69 Cb 0.71 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1xjb h ILE 69 CO 0.00 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.32 1xjb h ALA 70 N -1.44 1.16 -0.47 1.87 0.00 -1.38 0.75 119.26 119.76 1xjb h ALA 70 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xjb h ALA 70 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xjb h ALA 70 CO 0.01 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 178.70 1xjb n ASP 71 N -2.83 4.31 -0.77 0.00 5.75 -1.18 -4.93 116.55 116.90 1xjb n ASP 71 Ca -0.02 -2.57 -0.04 0.00 -0.01 0.00 0.00 54.79 52.15 1xjb n ASP 71 Cb 0.22 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 1xjb n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xjb n GLY 72 N 0.66 0.39 0.27 6.12 0.00 0.26 -4.80 105.19 108.09 1xjb n GLY 72 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1xjb n GLY 72 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xjb h SER 73 N 0.00 0.00 -5.02 1.61 0.87 -1.39 -3.46 113.55 106.16 1xjb h SER 73 Ca -0.08 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1xjb h SER 73 Cb 0.37 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.18 1xjb h SER 73 CO 0.12 0.03 0.09 0.54 -0.53 0.00 0.00 176.83 177.08 1xjb s VAL 74 N -4.72 0.02 0.22 2.23 0.11 -0.42 -5.00 120.40 112.84 1xjb s VAL 74 Ca -0.05 -0.20 0.06 0.00 -2.93 0.00 0.00 61.98 58.87 1xjb s VAL 74 Cb 0.16 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1xjb s VAL 74 CO 0.61 -0.11 0.19 -0.75 -3.33 0.00 0.00 175.10 171.70 1xjb s LYS 75 N -2.95 2.94 0.27 1.54 2.20 -1.26 -4.13 119.74 118.36 1xjb s LYS 75 Ca -0.03 -0.98 -0.04 0.00 -0.36 0.00 0.00 55.97 54.57 1xjb s LYS 75 Cb -0.00 -2.60 0.35 0.00 -1.51 0.00 0.00 37.83 34.06 1xjb s LYS 75 CO -0.06 0.43 1.89 -0.09 -0.36 0.00 0.00 175.35 177.16 1xjb h ARG 76 N 1.77 1.09 0.00 4.03 9.65 -1.96 0.20 114.38 129.15 1xjb h ARG 76 Ca -0.48 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1xjb h ARG 76 Cb 1.23 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1xjb h ARG 76 CO 0.62 0.80 -0.02 0.93 2.80 0.00 0.00 179.97 185.10 1xjb h GLU 77 N 1.09 0.00 -0.66 0.20 3.07 -2.03 -1.67 114.58 114.58 1xjb h GLU 77 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1xjb h GLU 77 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1xjb h GLU 77 CO -0.04 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.33 1xjb n ASP 78 N -3.15 4.71 -4.22 1.42 8.00 0.67 -4.82 116.55 119.15 1xjb n ASP 78 Ca -0.01 -2.43 -0.33 0.00 0.71 0.00 0.00 54.79 52.73 1xjb n ASP 78 Cb 0.22 -0.58 -0.16 0.00 -0.02 0.00 0.00 41.12 40.58 1xjb n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xjb s ILE 79 N -1.84 2.33 -0.46 0.53 -1.09 -0.63 -4.77 121.20 115.27 1xjb s ILE 79 Ca 0.51 -0.89 -0.12 0.00 -2.23 0.00 0.00 60.65 57.91 1xjb s ILE 79 Cb 0.32 -1.95 0.09 0.00 -1.58 0.00 0.00 42.46 39.35 1xjb s ILE 79 CO 0.25 0.54 0.35 0.12 -1.23 0.00 0.00 174.94 174.96 1xjb s PHE 80 N 0.73 3.30 -0.22 3.97 2.19 0.49 -4.92 117.98 123.52 1xjb s PHE 80 Ca -0.08 -1.31 -0.07 0.00 0.33 0.00 0.00 56.93 55.80 1xjb s PHE 80 Cb -0.16 -3.20 -0.03 0.00 -1.31 0.00 0.00 43.02 38.32 1xjb s PHE 80 CO 0.01 -0.87 0.05 -0.47 1.83 0.00 0.00 175.22 175.77 1xjb s TYR 81 N 1.52 3.11 -0.13 10.12 5.04 -1.26 -0.87 117.35 134.88 1xjb s TYR 81 Ca 0.04 -0.31 -0.04 0.00 -2.44 0.00 0.00 57.07 54.32 1xjb s TYR 81 Cb -0.25 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 1xjb s TYR 81 CO 0.04 -0.21 -0.00 0.99 -1.34 0.00 0.00 175.55 175.03 1xjb s THR 82 N 1.17 4.26 0.42 4.34 2.01 -0.17 -0.56 115.64 127.12 1xjb s THR 82 Ca 0.04 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.84 1xjb s THR 82 Cb -0.14 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1xjb s THR 82 CO 0.03 0.54 0.04 -0.55 -0.69 0.00 0.00 174.62 173.99 1xjb s SER 83 N -0.23 3.46 -0.02 3.53 0.15 -0.42 -1.04 113.70 119.13 1xjb s SER 83 Ca 0.05 -1.51 -0.02 0.00 0.70 0.00 0.00 55.95 55.18 1xjb s SER 83 Cb -0.12 0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.30 1xjb s SER 83 CO 0.02 -0.69 0.05 -0.54 1.20 0.00 0.00 173.24 173.28 1xjb s LYS 84 N -3.80 0.06 -0.20 5.44 1.02 -1.25 -1.71 119.74 119.30 1xjb s LYS 84 Ca 0.24 0.09 -0.29 0.00 0.02 0.00 0.00 55.97 56.03 1xjb s LYS 84 Cb 0.06 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1xjb s LYS 84 CO 0.12 -0.02 1.09 -1.17 -0.92 0.00 0.00 175.35 174.46 1xjb s LEU 85 N 0.11 4.14 0.70 3.17 2.96 0.28 -3.27 118.68 126.78 1xjb s LEU 85 Ca -0.01 1.48 -0.11 0.00 -0.22 0.00 0.00 54.13 55.28 1xjb s LEU 85 Cb -0.01 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.14 1xjb s LEU 85 CO -0.00 -0.66 1.06 0.86 -1.32 0.00 0.00 176.35 176.29 1xjb s TRP 86 N 3.10 3.19 -1.01 5.38 -0.11 -1.26 -1.66 118.94 126.58 1xjb s TRP 86 Ca 0.47 1.32 0.13 0.00 1.22 0.00 0.00 56.10 59.25 1xjb s TRP 86 Cb -0.17 -2.90 0.58 0.00 -1.50 0.00 0.00 33.47 29.48 1xjb s TRP 86 CO 0.10 -1.20 1.43 0.43 -4.62 0.00 0.00 176.95 173.09 1xjb n SER 87 N -3.09 0.00 -0.36 5.86 7.64 -1.26 -1.56 113.62 120.85 1xjb n SER 87 Ca 0.07 0.49 0.13 0.00 1.01 0.00 0.00 58.87 60.58 1xjb n SER 87 Cb 0.54 -0.50 0.58 0.00 -1.01 0.00 0.00 64.21 63.82 1xjb n SER 87 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1xjb n ASN 88 N -1.50 1.11 -1.16 6.43 6.94 -1.26 -1.63 115.26 124.19 1xjb n ASN 88 Ca 0.03 -1.44 0.01 0.00 -0.02 0.00 0.00 54.58 53.16 1xjb n ASN 88 Cb 0.16 -0.02 0.13 0.00 -2.36 0.00 0.00 39.78 37.68 1xjb n ASN 88 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1xjb n SER 89 N -0.11 2.02 0.21 0.53 7.64 -0.60 -4.10 113.62 119.21 1xjb n SER 89 Ca 0.19 -3.33 0.10 0.00 1.01 0.00 0.00 58.87 56.84 1xjb n SER 89 Cb 0.27 -0.45 0.29 0.00 -1.01 0.00 0.00 64.21 63.32 1xjb n SER 89 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1xjb h HIS 90 N 1.27 0.00 -3.63 1.43 3.86 -1.70 -3.30 115.15 113.08 1xjb h HIS 90 Ca -0.01 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.66 1xjb h HIS 90 Cb 1.30 0.00 0.10 0.00 1.06 0.00 0.00 27.41 29.88 1xjb h HIS 90 CO 0.62 0.19 0.76 0.54 0.86 0.00 0.00 177.93 180.90 1xjb n ARG 91 N -3.20 2.60 -0.24 2.45 1.74 -1.26 -4.31 116.66 114.43 1xjb n ARG 91 Ca 0.02 0.91 0.04 0.00 -0.77 0.00 0.00 57.85 58.06 1xjb n ARG 91 Cb 0.52 -2.64 0.16 0.00 -1.02 0.00 0.00 32.46 29.48 1xjb n ARG 91 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xjb h PRO 92 N 3.43 0.18 0.00 5.56 0.11 -1.87 0.14 132.00 139.54 1xjb h PRO 92 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xjb h PRO 92 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xjb h PRO 92 CO 0.68 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1xjb n GLU 93 N -5.24 0.41 -0.00 1.05 0.00 -1.26 -3.15 120.64 112.45 1xjb n GLU 93 Ca 0.13 0.06 0.07 0.00 0.00 0.00 0.00 57.16 57.42 1xjb n GLU 93 Cb 0.44 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.30 1xjb n GLU 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xjb n LEU 94 N -1.16 0.67 0.00 -1.84 4.77 0.46 -4.64 117.00 115.26 1xjb n LEU 94 Ca 0.11 -0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 55.49 1xjb n LEU 94 Cb 0.11 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1xjb n LEU 94 CO 0.12 0.17 0.58 0.58 -1.33 0.00 0.00 177.39 177.51 1xjb h VAL 95 N 0.00 1.29 -0.46 4.08 2.07 -1.47 -2.35 116.25 119.41 1xjb h VAL 95 Ca 0.00 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1xjb h VAL 95 Cb 0.36 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1xjb h VAL 95 CO 0.00 0.30 0.12 -0.09 0.02 0.00 0.00 177.57 177.91 1xjb h ARG 96 N -0.60 0.73 -0.59 1.57 2.43 -1.84 -1.73 114.38 114.35 1xjb h ARG 96 Ca -0.01 -0.17 0.08 0.00 -0.81 0.00 0.00 59.98 59.07 1xjb h ARG 96 Cb 0.54 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1xjb h ARG 96 CO 0.01 0.72 0.39 -1.35 -1.51 0.00 0.00 179.97 178.24 1xjb h PRO 97 N 0.61 0.45 -0.31 0.20 0.11 -1.82 0.16 132.00 131.39 1xjb h PRO 97 Ca 0.15 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.05 1xjb h PRO 97 Cb 0.32 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1xjb h PRO 97 CO 0.00 0.29 -0.51 0.00 -0.21 0.00 0.00 178.00 177.58 1xjb h ALA 98 N 1.70 0.50 -0.10 -0.75 0.00 -0.87 -0.82 119.26 118.91 1xjb h ALA 98 Ca 0.26 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1xjb h ALA 98 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xjb h ALA 98 CO -0.07 0.68 -0.02 1.25 0.00 0.00 0.00 179.25 181.09 1xjb h LEU 99 N 0.69 0.19 -1.65 0.00 5.85 -0.47 -1.81 115.31 118.11 1xjb h LEU 99 Ca 0.03 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1xjb h LEU 99 Cb 1.11 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1xjb h LEU 99 CO 0.11 0.49 0.30 -0.33 -0.34 0.00 0.00 178.44 178.67 1xjb h GLU 100 N -0.13 0.44 -0.31 1.25 5.08 -0.58 0.08 114.58 120.41 1xjb h GLU 100 Ca 0.03 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1xjb h GLU 100 Cb 0.41 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xjb h GLU 100 CO 0.01 0.29 -0.41 -0.09 -1.00 0.00 0.00 179.01 177.80 1xjb h ARG 101 N 0.45 0.83 -0.27 2.33 2.43 -1.00 -0.70 114.38 118.45 1xjb h ARG 101 Ca 0.18 -0.48 0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1xjb h ARG 101 Cb 0.17 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1xjb h ARG 101 CO -0.04 1.11 0.13 0.77 -1.51 0.00 0.00 179.97 180.43 1xjb h SER 102 N 0.61 0.19 -0.31 -3.80 0.02 -0.43 -1.70 113.55 108.12 1xjb h SER 102 Ca 0.04 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1xjb h SER 102 Cb 1.01 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1xjb h SER 102 CO 0.10 0.15 0.04 -0.07 -1.14 0.00 0.00 176.83 175.90 1xjb h LEU 103 N 0.28 0.59 -0.37 5.07 3.38 -0.87 0.19 115.31 123.57 1xjb h LEU 103 Ca 0.11 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1xjb h LEU 103 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1xjb h LEU 103 CO -0.08 0.63 -0.03 0.50 0.09 0.00 0.00 178.44 179.55 1xjb h LYS 104 N 0.60 0.68 -0.61 1.13 3.64 -0.90 0.11 116.57 121.22 1xjb h LYS 104 Ca 0.13 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1xjb h LYS 104 Cb 0.33 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1xjb h LYS 104 CO 0.01 0.80 0.35 -0.91 -2.27 0.00 0.00 179.45 177.43 1xjb h ASN 105 N 0.49 0.74 1.38 4.20 -0.26 -0.85 -2.13 115.58 119.16 1xjb h ASN 105 Ca 0.10 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1xjb h ASN 105 Cb 0.52 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1xjb h ASN 105 CO 0.03 0.60 0.00 -0.07 -1.06 0.00 0.00 177.43 176.93 1xjb h LEU 106 N 0.82 0.00 -1.64 1.61 3.38 -0.91 -3.36 115.31 115.21 1xjb h LEU 106 Ca 0.22 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.72 1xjb h LEU 106 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1xjb h LEU 106 CO -0.04 0.00 -0.84 0.00 0.09 0.00 0.00 178.44 177.65 1xjb n GLN 107 N -2.98 -4.31 -4.34 1.13 6.02 0.33 -4.57 117.38 108.66 1xjb n GLN 107 Ca 0.02 0.52 -0.22 0.00 -0.01 0.00 0.00 57.00 57.31 1xjb n GLN 107 Cb 0.39 -4.99 -0.11 0.00 1.02 0.00 0.00 30.24 26.54 1xjb n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xjb s LEU 108 N -6.92 2.44 0.26 1.08 1.43 -0.90 -5.04 118.68 111.02 1xjb s LEU 108 Ca 0.17 -0.86 0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1xjb s LEU 108 Cb -0.09 -0.85 0.04 0.00 0.03 0.00 0.00 46.19 45.32 1xjb s LEU 108 CO 0.85 -0.03 1.40 0.44 0.23 0.00 0.00 176.35 179.24 1xjb h ASP 109 N 3.24 0.00 -5.03 2.29 3.45 -1.95 -3.43 116.42 114.99 1xjb h ASP 109 Ca -0.42 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.03 1xjb h ASP 109 Cb 1.21 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.87 1xjb h ASP 109 CO 0.51 0.53 0.15 -0.72 -1.57 0.00 0.00 179.24 178.14 1xjb s TYR 110 N -2.94 -0.35 0.13 4.55 -0.85 -1.26 -4.76 117.35 111.87 1xjb s TYR 110 Ca 0.03 0.05 0.04 0.00 -0.52 0.00 0.00 57.07 56.68 1xjb s TYR 110 Cb 0.08 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 1xjb s TYR 110 CO 0.75 -0.92 0.11 0.14 -1.52 0.00 0.00 175.55 174.11 1xjb s VAL 111 N -3.81 4.51 0.12 -3.49 -7.23 -0.34 -5.00 120.40 105.16 1xjb s VAL 111 Ca 0.05 -0.94 0.14 0.00 -1.81 0.00 0.00 61.98 59.42 1xjb s VAL 111 Cb -0.02 -3.25 0.02 0.00 0.56 0.00 0.00 36.38 33.70 1xjb s VAL 111 CO -0.07 -0.00 1.56 0.44 -0.31 0.00 0.00 175.10 176.72 1xjb h ASP 112 N 2.80 0.00 -3.61 4.85 5.19 -1.15 -0.54 116.42 123.96 1xjb h ASP 112 Ca -0.47 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.79 1xjb h ASP 112 Cb 1.18 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.43 1xjb h ASP 112 CO 0.64 0.57 -0.35 -0.22 -3.12 0.00 0.00 179.24 176.77 1xjb s LEU 113 N -7.02 0.46 -0.14 1.55 2.96 -0.98 -1.15 118.68 114.37 1xjb s LEU 113 Ca 0.01 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1xjb s LEU 113 Cb 0.11 1.13 0.02 0.00 0.50 0.00 0.00 46.19 47.94 1xjb s LEU 113 CO 0.74 -0.14 -0.16 -0.47 -1.32 0.00 0.00 176.35 175.00 1xjb s TYR 114 N 0.67 2.22 0.15 5.38 5.04 -0.74 -1.31 117.35 128.76 1xjb s TYR 114 Ca -0.04 -1.17 0.08 0.00 -2.44 0.00 0.00 57.07 53.49 1xjb s TYR 114 Cb -0.05 -1.60 -0.04 0.00 0.35 0.00 0.00 41.96 40.62 1xjb s TYR 114 CO -0.04 -0.61 -0.07 -0.51 -1.34 0.00 0.00 175.55 172.98 1xjb s LEU 115 N 1.20 3.11 -0.40 6.97 1.43 -0.69 -1.63 118.68 128.67 1xjb s LEU 115 Ca -0.01 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.37 1xjb s LEU 115 Cb -0.14 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1xjb s LEU 115 CO -0.07 0.13 1.02 -0.63 0.23 0.00 0.00 176.35 177.03 1xjb s ILE 116 N -1.52 4.44 0.20 -0.59 1.01 -0.91 0.10 121.20 123.94 1xjb s ILE 116 Ca 0.24 1.25 -0.11 0.00 0.00 0.00 0.00 60.65 62.04 1xjb s ILE 116 Cb -0.10 -4.44 0.13 0.00 0.01 0.00 0.00 42.46 38.06 1xjb s ILE 116 CO 0.16 -0.70 1.84 -0.74 0.00 0.00 0.00 174.94 175.49 1xjb h HIS 117 N 8.70 0.93 -2.53 3.97 2.76 -1.59 -0.88 115.15 126.50 1xjb h HIS 117 Ca -0.23 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.85 1xjb h HIS 117 Cb 1.07 -0.31 -0.25 0.00 1.55 0.00 0.00 27.41 29.47 1xjb h HIS 117 CO 0.88 0.63 -0.23 0.12 -1.30 0.00 0.00 177.93 178.02 1xjb s PHE 118 N -5.99 -0.68 -0.60 5.26 5.36 -1.26 -4.30 117.98 115.77 1xjb s PHE 118 Ca -0.13 1.43 0.20 0.00 -0.96 0.00 0.00 56.93 57.47 1xjb s PHE 118 Cb 0.14 0.32 0.87 0.00 -0.34 0.00 0.00 43.02 44.01 1xjb s PHE 118 CO 0.78 -0.37 1.61 -0.35 -1.46 0.00 0.00 175.22 175.44 1xjb n PRO 119 N 4.15 0.13 -3.03 10.12 -0.04 -1.26 -4.71 135.00 140.37 1xjb n PRO 119 Ca -0.22 0.40 -0.39 0.00 -0.04 0.00 0.00 63.50 63.25 1xjb n PRO 119 Cb 0.56 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 1xjb n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xjb s VAL 120 N -3.25 4.52 -0.00 0.52 1.01 -1.26 -4.87 120.40 117.07 1xjb s VAL 120 Ca 0.04 1.61 -0.02 0.00 0.00 0.00 0.00 61.98 63.61 1xjb s VAL 120 Cb 0.09 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1xjb s VAL 120 CO 0.32 0.49 0.16 -0.44 0.00 0.00 0.00 175.10 175.63 1xjb s SER 121 N -0.86 6.18 0.21 3.32 0.01 -1.26 -4.70 113.70 116.60 1xjb s SER 121 Ca 0.35 0.28 0.08 0.00 1.31 0.00 0.00 55.95 57.98 1xjb s SER 121 Cb -0.22 -1.90 -0.05 0.00 0.21 0.00 0.00 66.02 64.07 1xjb s SER 121 CO 0.24 0.26 -0.15 0.68 0.41 0.00 0.00 173.24 174.68 1xjb s VAL 122 N -1.31 1.81 0.15 3.43 -7.23 -0.65 -1.56 120.40 115.03 1xjb s VAL 122 Ca 0.27 -2.23 -0.34 0.00 -1.81 0.00 0.00 61.98 57.87 1xjb s VAL 122 Cb -0.12 -2.09 -0.16 0.00 0.56 0.00 0.00 36.38 34.57 1xjb s VAL 122 CO 0.18 -0.57 1.21 1.17 -0.31 0.00 0.00 175.10 176.79 1xjb n LYS 123 N -0.41 1.16 -1.87 4.82 4.81 0.61 -4.19 118.16 123.09 1xjb n LYS 123 Ca -0.08 0.42 -0.36 0.00 -0.87 0.00 0.00 58.31 57.42 1xjb n LYS 123 Cb 0.60 -1.95 0.05 0.00 0.02 0.00 0.00 35.03 33.75 1xjb n LYS 123 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1xjb s PRO 124 N -0.14 2.76 0.00 1.64 0.02 -1.26 -4.73 135.00 133.29 1xjb s PRO 124 Ca 0.76 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1xjb s PRO 124 Cb -0.88 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 31.74 1xjb s PRO 124 CO 0.51 -1.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.21 1xjb n GLY 125 N 0.56 1.05 0.26 0.52 0.00 -1.26 -4.97 105.19 101.35 1xjb n GLY 125 Ca 0.14 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 1xjb n GLY 125 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xjb h GLU 126 N 0.00 0.78 -6.53 1.61 4.57 -1.98 -3.43 114.58 109.59 1xjb h GLU 126 Ca 0.00 -0.35 -0.53 0.00 -1.18 0.00 0.00 59.36 57.30 1xjb h GLU 126 Cb 0.00 -0.02 0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1xjb h GLU 126 CO 0.00 0.97 0.82 -2.00 -1.18 0.00 0.00 179.01 177.62 1xjb s GLU 127 N -4.50 4.27 0.20 1.92 2.56 -1.26 -4.90 118.70 116.99 1xjb s GLU 127 Ca -0.09 2.19 0.12 0.00 0.00 0.00 0.00 54.97 57.19 1xjb s GLU 127 Cb 0.13 -3.30 -0.05 0.00 2.00 0.00 0.00 34.13 32.90 1xjb s GLU 127 CO 0.84 -0.55 1.34 -0.39 -0.56 0.00 0.00 175.26 175.94 1xjb h VAL 128 N 4.33 1.14 -2.51 3.70 -1.51 -1.95 -3.36 116.25 116.09 1xjb h VAL 128 Ca -0.42 -2.64 -0.60 0.00 -1.23 0.00 0.00 66.70 61.81 1xjb h VAL 128 Cb 1.20 2.55 -0.40 0.00 -2.13 0.00 0.00 31.29 32.51 1xjb h VAL 128 CO 0.89 0.65 -0.77 -0.38 -1.23 0.00 0.00 177.57 176.74 1xjb n ILE 129 N -3.25 0.70 -2.27 7.19 5.41 -1.26 -4.78 119.36 121.10 1xjb n ILE 129 Ca 0.00 -4.45 -0.41 0.00 1.00 0.00 0.00 62.75 58.90 1xjb n ILE 129 Cb 0.82 -1.99 -0.03 0.00 -0.71 0.00 0.00 39.64 37.73 1xjb n ILE 129 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xjb s PRO 130 N -1.28 4.48 0.10 0.38 0.04 -1.26 -4.95 135.00 132.51 1xjb s PRO 130 Ca 0.32 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.47 1xjb s PRO 130 Cb 0.06 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 1xjb s PRO 130 CO -0.13 -0.02 -0.17 0.15 0.04 0.00 0.00 177.00 176.87 1xjb s LYS 131 N -1.62 1.00 0.31 4.56 1.02 -1.26 -0.53 119.74 123.22 1xjb s LYS 131 Ca 0.47 -1.11 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 1xjb s LYS 131 Cb -0.36 -1.09 0.06 0.00 -0.52 0.00 0.00 37.83 35.92 1xjb s LYS 131 CO 0.48 0.24 0.42 -0.40 -0.92 0.00 0.00 175.35 175.17 1xjb n ASP 132 N 1.03 0.42 0.27 2.83 5.68 0.15 -4.83 116.55 122.10 1xjb n ASP 132 Ca -0.19 -1.39 0.11 0.00 -0.50 0.00 0.00 54.79 52.82 1xjb n ASP 132 Cb 0.54 -0.28 0.74 0.00 -1.14 0.00 0.00 41.12 40.98 1xjb n ASP 132 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1xjb h GLU 133 N 0.00 0.00 -0.22 0.11 4.11 -2.02 0.11 114.58 116.66 1xjb h GLU 133 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 1xjb h GLU 133 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1xjb h GLU 133 CO 0.13 0.05 0.00 0.09 0.07 0.00 0.00 179.01 179.35 1xjb n ASN 134 N -4.10 1.67 -0.03 3.06 3.02 -1.26 -4.89 115.26 112.72 1xjb n ASN 134 Ca -0.03 -1.80 -0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1xjb n ASN 134 Cb 0.13 -0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1xjb n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xjb n GLY 135 N 1.09 0.42 3.87 7.41 0.00 0.37 -5.03 105.19 113.33 1xjb n GLY 135 Ca 0.14 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1xjb n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjb s LYS 136 N -0.57 3.80 0.35 1.61 3.01 -1.26 -4.70 119.74 121.99 1xjb s LYS 136 Ca 0.00 0.29 -0.29 0.00 -1.01 0.00 0.00 55.97 54.96 1xjb s LYS 136 Cb 0.00 -2.62 -0.11 0.00 -1.01 0.00 0.00 37.83 34.09 1xjb s LYS 136 CO 0.00 0.28 1.53 -0.89 0.51 0.00 0.00 175.35 176.78 1xjb n ILE 137 N -0.27 1.68 -2.92 2.17 2.08 -1.26 0.34 119.36 121.18 1xjb n ILE 137 Ca 0.01 -0.42 -0.44 0.00 0.56 0.00 0.00 62.75 62.46 1xjb n ILE 137 Cb 0.53 -1.99 -0.01 0.00 -0.75 0.00 0.00 39.64 37.42 1xjb n ILE 137 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1xjb s LEU 138 N -1.56 4.96 0.76 1.39 1.43 0.31 -4.77 118.68 121.20 1xjb s LEU 138 Ca 0.57 -2.69 -0.11 0.00 -1.03 0.00 0.00 54.13 50.86 1xjb s LEU 138 Cb -0.48 -2.41 0.05 0.00 0.03 0.00 0.00 46.19 43.38 1xjb s LEU 138 CO 0.59 -0.86 1.10 -0.36 0.23 0.00 0.00 176.35 177.04 1xjb s PHE 139 N 2.06 2.53 0.24 0.29 0.08 -1.26 -0.29 117.98 121.63 1xjb s PHE 139 Ca 0.41 1.57 0.03 0.00 0.12 0.00 0.00 56.93 59.06 1xjb s PHE 139 Cb -0.03 -3.09 -0.05 0.00 -0.57 0.00 0.00 43.02 39.27 1xjb s PHE 139 CO -0.02 -1.84 0.01 0.34 -0.10 0.00 0.00 175.22 173.60 1xjb s ASP 140 N -3.17 1.84 -0.20 1.36 2.15 -0.60 -4.30 116.67 113.76 1xjb s ASP 140 Ca 0.63 -1.24 -0.01 0.00 0.43 0.00 0.00 52.55 52.36 1xjb s ASP 140 Cb -0.18 0.01 0.01 0.00 -0.30 0.00 0.00 42.92 42.46 1xjb s ASP 140 CO 0.53 -0.53 -0.14 -0.89 -0.17 0.00 0.00 175.17 173.97 1xjb s THR 141 N -3.43 2.53 -0.01 1.71 2.01 -1.26 -4.33 115.64 112.86 1xjb s THR 141 Ca 0.30 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.48 1xjb s THR 141 Cb 0.06 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.47 1xjb s THR 141 CO 0.10 0.47 0.02 -0.69 -0.69 0.00 0.00 174.62 173.83 1xjb s VAL 142 N 1.35 -0.04 -0.31 3.82 1.01 -1.26 -5.06 120.40 119.92 1xjb s VAL 142 Ca 0.05 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1xjb s VAL 142 Cb -0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 1xjb s VAL 142 CO -0.09 0.06 1.71 -0.62 0.00 0.00 0.00 175.10 176.15 1xjb s ASP 143 N 0.71 6.08 0.56 3.32 2.15 -1.26 -4.87 116.67 123.35 1xjb s ASP 143 Ca -0.06 1.35 0.24 0.00 0.43 0.00 0.00 52.55 54.50 1xjb s ASP 143 Cb -0.08 -2.53 1.56 0.00 -0.30 0.00 0.00 42.92 41.57 1xjb s ASP 143 CO -0.02 -1.55 2.20 -0.07 -0.17 0.00 0.00 175.17 175.56 1xjb h LEU 144 N 12.95 0.00 -1.07 -1.34 3.38 -1.94 -0.77 115.31 126.52 1xjb h LEU 144 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1xjb h LEU 144 Cb 1.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1xjb h LEU 144 CO 1.03 0.01 0.48 0.00 0.09 0.00 0.00 178.44 180.05 1xjb h ALA 146 N 1.39 0.68 -0.76 0.00 0.00 -1.55 -1.48 119.26 117.54 1xjb h ALA 146 Ca 0.30 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1xjb h ALA 146 Cb -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1xjb h ALA 146 CO -0.05 0.67 0.38 1.15 0.00 0.00 0.00 179.25 181.40 1xjb h THR 147 N 0.61 1.24 -0.45 0.00 2.02 -0.91 -2.07 112.91 113.35 1xjb h THR 147 Ca 0.04 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 1xjb h THR 147 Cb 0.98 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1xjb h THR 147 CO 0.09 0.27 -0.14 -0.25 0.37 0.00 0.00 175.52 175.86 1xjb h TRP 148 N 1.06 0.94 -0.45 3.16 2.91 -0.44 -0.54 115.95 122.59 1xjb h TRP 148 Ca 0.26 -0.19 -0.01 0.00 1.13 0.00 0.00 58.89 60.08 1xjb h TRP 148 Cb 0.09 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.48 1xjb h TRP 148 CO 0.01 0.93 0.25 0.93 -1.03 0.00 0.00 178.44 179.52 1xjb h GLU 149 N 0.75 0.61 -0.13 2.65 5.08 -0.94 0.01 114.58 122.61 1xjb h GLU 149 Ca 0.12 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1xjb h GLU 149 Cb 0.66 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1xjb h GLU 149 CO 0.05 0.45 -0.48 0.00 -1.00 0.00 0.00 179.01 178.03 1xjb h ALA 150 N 1.66 0.94 -0.38 3.43 0.00 -0.59 -2.56 119.26 121.75 1xjb h ALA 150 Ca 0.16 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1xjb h ALA 150 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xjb h ALA 150 CO -0.03 0.65 -0.32 0.52 0.00 0.00 0.00 179.25 180.07 1xjb h MET 151 N 0.27 0.90 -0.95 0.00 2.86 -0.00 -2.54 114.93 115.46 1xjb h MET 151 Ca 0.01 -0.45 0.08 0.00 -2.06 0.00 0.00 59.70 57.28 1xjb h MET 151 Cb 0.94 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.54 1xjb h MET 151 CO 0.08 1.10 0.61 0.93 1.06 0.00 0.00 176.91 180.69 1xjb h GLU 152 N 0.71 1.02 0.00 1.72 5.08 -0.91 -0.37 114.58 121.83 1xjb h GLU 152 Ca 0.07 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1xjb h GLU 152 Cb 0.91 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1xjb h GLU 152 CO 0.08 0.68 -0.34 0.87 -1.00 0.00 0.00 179.01 179.30 1xjb h LYS 153 N 1.05 0.00 -0.06 2.33 1.57 -1.20 -0.02 116.57 120.24 1xjb h LYS 153 Ca 0.42 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.02 1xjb h LYS 153 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1xjb h LYS 153 CO -0.17 0.34 -0.73 0.00 -0.57 0.00 0.00 179.45 178.31 1xjb h LYS 155 N 0.23 0.82 0.00 0.00 3.64 -0.87 -1.81 116.57 118.59 1xjb h LYS 155 Ca -0.03 -0.40 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 1xjb h LYS 155 Cb 1.30 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1xjb h LYS 155 CO 0.12 1.04 -0.20 -0.44 -2.27 0.00 0.00 179.45 177.70 1xjb h ASP 156 N 0.61 0.00 0.86 4.20 3.32 -0.76 -0.86 116.42 123.80 1xjb h ASP 156 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1xjb h ASP 156 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1xjb h ASP 156 CO 0.07 0.20 -0.02 0.00 -1.72 0.00 0.00 179.24 177.77 1xjb n ALA 157 N -2.34 2.43 -0.61 3.45 0.00 -0.12 -4.90 120.51 118.41 1xjb n ALA 157 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1xjb n ALA 157 Cb 0.30 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1xjb n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjb n GLY 158 N 1.44 0.78 0.21 0.00 0.00 -0.33 -4.91 105.19 102.40 1xjb n GLY 158 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1xjb n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xjb h LEU 159 N 0.00 0.00 -7.81 0.99 3.38 -1.56 -3.43 115.31 106.88 1xjb h LEU 159 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1xjb h LEU 159 Cb 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.42 1xjb h LEU 159 CO 0.00 0.15 -0.77 0.00 0.09 0.00 0.00 178.44 177.91 1xjb s ALA 160 N -3.32 0.67 0.08 1.53 0.00 -1.18 -1.20 121.76 118.34 1xjb s ALA 160 Ca 0.04 -0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 1xjb s ALA 160 Cb 0.07 -0.35 -0.13 0.00 0.00 0.00 0.00 23.12 22.70 1xjb s ALA 160 CO 0.66 0.04 1.33 0.87 0.00 0.00 0.00 175.76 178.65 1xjb h LYS 161 N 6.87 0.64 -4.88 0.00 1.79 -1.11 -3.38 116.57 116.50 1xjb h LYS 161 Ca -0.36 -0.42 -0.29 0.00 -2.18 0.00 0.00 60.65 57.39 1xjb h LYS 161 Cb 1.16 0.06 -0.17 0.00 -1.58 0.00 0.00 32.23 31.70 1xjb h LYS 161 CO 0.48 1.04 -0.72 -1.12 -1.08 0.00 0.00 179.45 178.05 1xjb s SER 162 N -6.66 1.39 0.13 0.86 0.01 -0.30 -5.00 113.70 104.12 1xjb s SER 162 Ca -0.12 -0.87 0.08 0.00 1.31 0.00 0.00 55.95 56.35 1xjb s SER 162 Cb 0.07 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 1xjb s SER 162 CO 0.84 -0.32 -0.20 0.27 0.41 0.00 0.00 173.24 174.24 1xjb s ILE 163 N -2.80 1.74 0.00 1.44 -4.36 -1.26 -1.79 121.20 114.16 1xjb s ILE 163 Ca 0.08 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1xjb s ILE 163 Cb -0.00 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 42.05 1xjb s ILE 163 CO -0.01 -0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.62 1xjb n GLY 164 N 0.78 2.57 3.36 6.27 0.00 -0.64 -1.31 105.19 116.22 1xjb n GLY 164 Ca -0.17 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 1xjb n GLY 164 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xjb s VAL 165 N -2.81 0.44 -0.09 1.61 -7.23 -0.57 -2.13 120.40 109.63 1xjb s VAL 165 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 1xjb s VAL 165 Cb 0.00 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1xjb s VAL 165 CO 0.00 0.00 0.22 -0.55 -0.31 0.00 0.00 175.10 174.46 1xjb s SER 166 N -3.40 -0.23 -1.14 4.85 0.15 -0.34 -1.02 113.70 112.57 1xjb s SER 166 Ca 0.35 0.46 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 1xjb s SER 166 Cb 0.05 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1xjb s SER 166 CO 0.17 -0.09 0.09 0.59 1.20 0.00 0.00 173.24 175.20 1xjb n ASN 167 N 3.12 -4.29 -4.87 5.45 4.13 -0.33 -4.00 115.26 114.47 1xjb n ASN 167 Ca -0.14 -0.05 -0.36 0.00 1.68 0.00 0.00 54.58 55.70 1xjb n ASN 167 Cb 0.58 -3.40 -0.06 0.00 -1.54 0.00 0.00 39.78 35.36 1xjb n ASN 167 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1xjb s PHE 168 N -2.74 3.63 0.45 3.10 0.40 -1.26 -4.53 117.98 117.03 1xjb s PHE 168 Ca 0.04 0.70 0.05 0.00 -0.60 0.00 0.00 56.93 57.13 1xjb s PHE 168 Cb -0.02 -2.08 0.08 0.00 0.51 0.00 0.00 43.02 41.51 1xjb s PHE 168 CO 0.05 0.65 0.63 0.27 0.70 0.00 0.00 175.22 177.52 1xjb n ASN 169 N 1.55 1.38 -0.10 1.36 0.23 -1.26 -4.91 115.26 113.52 1xjb n ASN 169 Ca -0.14 -2.04 -0.06 0.00 -0.53 0.00 0.00 54.58 51.81 1xjb n ASN 169 Cb 0.53 -0.36 0.01 0.00 -2.08 0.00 0.00 39.78 37.89 1xjb n ASN 169 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 1xjb h HIS 170 N -0.10 0.01 -0.51 -2.53 -0.00 -1.34 -1.11 115.15 109.56 1xjb h HIS 170 Ca -0.21 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.21 1xjb h HIS 170 Cb 0.91 0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 28.33 1xjb h HIS 170 CO 0.00 -0.04 0.30 -0.09 -0.00 0.00 0.00 177.93 178.10 1xjb h ARG 171 N 0.12 0.59 -0.27 5.26 2.43 -1.96 -0.96 114.38 119.59 1xjb h ARG 171 Ca 0.17 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 1xjb h ARG 171 Cb 0.22 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1xjb h ARG 171 CO -0.26 0.39 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.15 1xjb h LEU 172 N 0.61 0.63 -0.54 3.80 3.38 -1.88 -1.86 115.31 119.45 1xjb h LEU 172 Ca 0.20 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1xjb h LEU 172 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1xjb h LEU 172 CO -0.09 0.94 0.01 -0.07 0.09 0.00 0.00 178.44 179.32 1xjb h LEU 173 N 0.51 0.93 -1.02 1.67 3.38 -0.91 -2.60 115.31 117.26 1xjb h LEU 173 Ca 0.05 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1xjb h LEU 173 Cb 0.86 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1xjb h LEU 173 CO 0.07 1.00 0.09 -0.33 0.09 0.00 0.00 178.44 179.36 1xjb h GLU 174 N 0.83 0.79 -0.39 1.13 4.39 -0.98 0.47 114.58 120.82 1xjb h GLU 174 Ca 0.15 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 59.74 1xjb h GLU 174 Cb 0.52 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.00 1xjb h GLU 174 CO 0.03 0.74 0.05 1.98 -1.16 0.00 0.00 179.01 180.65 1xjb h MET 175 N 0.76 0.17 0.05 2.33 4.05 -0.98 0.23 114.93 121.54 1xjb h MET 175 Ca 0.16 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1xjb h MET 175 Cb 0.33 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1xjb h MET 175 CO 0.00 0.11 -0.03 0.82 0.23 0.00 0.00 176.91 178.05 1xjb h ILE 176 N 0.17 1.25 -0.42 1.77 1.08 -1.08 -2.85 117.51 117.43 1xjb h ILE 176 Ca 0.19 -1.11 0.05 0.00 -0.39 0.00 0.00 64.86 63.60 1xjb h ILE 176 Cb 0.24 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 1xjb h ILE 176 CO -0.27 0.27 0.28 -0.07 -0.69 0.00 0.00 178.15 177.68 1xjb h LEU 177 N -0.58 0.31 -1.74 1.44 3.38 -0.72 -1.44 115.31 115.97 1xjb h LEU 177 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xjb h LEU 177 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xjb h LEU 177 CO 0.01 0.21 0.00 0.59 0.09 0.00 0.00 178.44 179.34 1xjb n ASN 178 N -4.48 2.60 -4.72 -0.43 5.03 0.80 -4.96 115.26 109.11 1xjb n ASN 178 Ca 0.05 -1.87 -0.42 0.00 0.87 0.00 0.00 54.58 53.21 1xjb n ASN 178 Cb 0.23 -0.17 -0.03 0.00 -1.02 0.00 0.00 39.78 38.78 1xjb n ASN 178 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1xjb s LYS 179 N -1.65 4.19 0.19 3.52 2.20 -0.54 -4.91 119.74 122.74 1xjb s LYS 179 Ca 0.35 2.44 -0.33 0.00 -0.36 0.00 0.00 55.97 58.07 1xjb s LYS 179 Cb 0.20 -3.14 -0.13 0.00 -1.51 0.00 0.00 37.83 33.25 1xjb s LYS 179 CO 0.29 -0.66 1.66 -0.35 -0.36 0.00 0.00 175.35 175.93 1xjb n PRO 180 N 4.01 2.52 -1.05 4.03 -0.04 -1.26 -1.86 135.00 141.35 1xjb n PRO 180 Ca 0.15 0.91 -0.02 0.00 -0.04 0.00 0.00 63.50 64.50 1xjb n PRO 180 Cb 0.37 -2.72 -0.01 0.00 -0.04 0.00 0.00 33.50 31.11 1xjb n PRO 180 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xjb n GLY 181 N 3.67 0.53 3.58 0.55 0.00 -1.26 -4.97 105.19 107.29 1xjb n GLY 181 Ca 0.16 -0.45 -0.51 0.00 0.00 0.00 0.00 46.02 45.22 1xjb n GLY 181 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xjb n LEU 182 N -0.20 1.47 -0.12 0.99 7.94 -0.78 -4.89 117.00 121.41 1xjb n LEU 182 Ca -0.02 1.13 -0.18 0.00 -1.11 0.00 0.00 56.01 55.83 1xjb n LEU 182 Cb 0.10 -1.19 -0.11 0.00 0.53 0.00 0.00 43.42 42.76 1xjb n LEU 182 CO 0.03 -1.23 -1.29 1.17 -1.11 0.00 0.00 177.39 174.95 1xjb n LYS 183 N 2.09 0.59 -3.87 1.96 4.81 -1.26 -4.97 118.16 117.51 1xjb n LYS 183 Ca 0.17 0.15 -0.19 0.00 -0.87 0.00 0.00 58.31 57.57 1xjb n LYS 183 Cb 0.21 -1.47 -0.17 0.00 0.02 0.00 0.00 35.03 33.63 1xjb n LYS 183 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1xjb s TYR 184 N -2.48 0.36 0.78 5.64 2.02 -1.26 -5.14 117.35 117.27 1xjb s TYR 184 Ca -0.33 0.00 -0.11 0.00 -0.37 0.00 0.00 57.07 56.27 1xjb s TYR 184 Cb 0.09 -0.50 0.06 0.00 -0.40 0.00 0.00 41.96 41.21 1xjb s TYR 184 CO 0.54 -0.18 1.09 0.15 -1.57 0.00 0.00 175.55 175.58 1xjb s LYS 185 N 1.35 2.23 0.37 -0.62 1.02 -1.26 -4.99 119.74 117.84 1xjb s LYS 185 Ca -0.05 1.07 -0.27 0.00 0.02 0.00 0.00 55.97 56.75 1xjb s LYS 185 Cb -0.13 -1.90 -0.09 0.00 -0.52 0.00 0.00 37.83 35.19 1xjb s LYS 185 CO -0.02 -1.64 1.22 -2.14 -0.92 0.00 0.00 175.35 171.85 1xjb s PRO 186 N -4.94 4.18 0.27 -1.68 0.02 -1.26 -4.85 135.00 126.74 1xjb s PRO 186 Ca 0.61 1.99 0.19 0.00 0.02 0.00 0.00 61.00 63.81 1xjb s PRO 186 Cb -0.17 -2.85 0.09 0.00 0.02 0.00 0.00 34.50 31.59 1xjb s PRO 186 CO 0.56 -0.25 1.28 -0.39 -0.33 0.00 0.00 177.00 177.87 1xjb h VAL 187 N 2.62 0.36 -3.60 3.83 -1.51 -1.56 -3.45 116.25 112.94 1xjb h VAL 187 Ca -0.49 -1.56 -0.06 0.00 -1.23 0.00 0.00 66.70 63.37 1xjb h VAL 187 Cb 1.23 2.02 -0.10 0.00 -2.13 0.00 0.00 31.29 32.31 1xjb h VAL 187 CO 0.64 0.20 -0.13 0.00 -1.23 0.00 0.00 177.57 177.05 1xjb s ASN 189 N -2.95 3.12 -0.27 0.00 2.47 0.02 -1.51 114.94 115.81 1xjb s ASN 189 Ca 0.16 -0.98 -0.21 0.00 0.42 0.00 0.00 52.86 52.25 1xjb s ASN 189 Cb 0.00 -0.61 -0.01 0.00 -1.45 0.00 0.00 41.25 39.18 1xjb s ASN 189 CO 0.02 -0.34 0.64 -1.58 -3.72 0.00 0.00 177.10 172.13 1xjb s GLN 190 N 1.85 4.03 0.20 0.43 0.74 -0.19 -2.05 119.66 124.67 1xjb s GLN 190 Ca 0.02 0.47 -0.03 0.00 0.05 0.00 0.00 55.36 55.87 1xjb s GLN 190 Cb -0.17 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 1xjb s GLN 190 CO -0.13 -0.49 0.20 0.14 -0.55 0.00 0.00 175.29 174.46 1xjb s VAL 191 N 2.58 0.01 0.14 1.34 -7.23 0.26 -1.19 120.40 116.30 1xjb s VAL 191 Ca 0.26 -1.87 -0.31 0.00 -1.81 0.00 0.00 61.98 58.26 1xjb s VAL 191 Cb -0.15 -2.40 -0.08 0.00 0.56 0.00 0.00 36.38 34.30 1xjb s VAL 191 CO 0.10 -0.03 1.40 -0.70 -0.31 0.00 0.00 175.10 175.56 1xjb s GLU 192 N -4.12 4.31 -0.27 4.82 2.12 -1.26 -1.04 118.70 123.25 1xjb s GLU 192 Ca 0.35 2.12 -0.19 0.00 0.36 0.00 0.00 54.97 57.61 1xjb s GLU 192 Cb 0.05 -3.22 0.08 0.00 0.26 0.00 0.00 34.13 31.30 1xjb s GLU 192 CO 0.11 -0.43 0.70 0.00 -0.54 0.00 0.00 175.26 175.09 1xjb s HIS 194 N 1.17 -0.06 0.60 0.00 -3.43 -0.68 -3.97 115.29 108.92 1xjb s HIS 194 Ca -0.06 -0.07 0.29 0.00 -0.80 0.00 0.00 55.06 54.41 1xjb s HIS 194 Cb -0.05 0.56 1.48 0.00 -1.43 0.00 0.00 32.58 33.14 1xjb s HIS 194 CO -0.12 -0.36 1.89 -1.35 -2.00 0.00 0.00 174.74 172.80 1xjb h PRO 195 N 2.00 0.00 -0.00 -0.38 0.11 -1.89 0.45 132.00 132.29 1xjb h PRO 195 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1xjb h PRO 195 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xjb h PRO 195 CO 0.28 0.00 -0.33 0.66 -0.21 0.00 0.00 178.00 178.40 1xjb n TYR 196 N -3.55 0.00 -2.82 0.65 4.01 -1.26 -1.70 117.16 112.49 1xjb n TYR 196 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.73 1xjb n TYR 196 Cb 0.62 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.41 1xjb n TYR 196 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1xjb n PHE 197 N -1.26 -3.35 0.98 -0.72 -0.00 0.06 -1.40 117.46 111.77 1xjb n PHE 197 Ca 0.08 -1.71 0.07 0.00 -0.00 0.00 0.00 57.45 55.90 1xjb n PHE 197 Cb 0.33 1.35 0.24 0.00 -0.00 0.00 0.00 39.48 41.39 1xjb n PHE 197 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1xjb n ASN 198 N 2.50 1.84 -2.28 -2.13 0.23 -0.64 -1.69 115.26 113.09 1xjb n ASN 198 Ca 0.16 -1.90 -0.11 0.00 -0.53 0.00 0.00 54.58 52.21 1xjb n ASN 198 Cb 0.57 -0.19 -0.01 0.00 -2.08 0.00 0.00 39.78 38.07 1xjb n ASN 198 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xjb n GLN 199 N 0.48 -2.17 -0.17 -3.83 1.13 -1.26 -4.83 117.38 106.73 1xjb n GLN 199 Ca 0.14 0.53 -0.03 0.00 -1.94 0.00 0.00 57.00 55.70 1xjb n GLN 199 Cb 0.31 -5.06 0.04 0.00 0.11 0.00 0.00 30.24 25.64 1xjb n GLN 199 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1xjb h ARG 200 N 0.00 -0.00 0.19 -1.09 1.12 -1.98 0.23 114.38 112.85 1xjb h ARG 200 Ca -0.25 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.62 1xjb h ARG 200 Cb 1.11 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 1xjb h ARG 200 CO 0.30 -0.00 -0.16 0.87 -3.11 0.00 0.00 179.97 177.87 1xjb h LYS 201 N -0.00 -0.36 -0.67 0.20 1.57 -2.00 0.26 116.57 115.58 1xjb h LYS 201 Ca 0.25 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1xjb h LYS 201 Cb 0.38 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1xjb h LYS 201 CO -0.53 -0.24 0.20 1.25 -0.57 0.00 0.00 179.45 179.56 1xjb h LEU 202 N -0.37 0.95 0.13 2.94 5.85 -1.77 -1.38 115.31 121.67 1xjb h LEU 202 Ca -0.01 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1xjb h LEU 202 Cb 0.33 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1xjb h LEU 202 CO -0.02 0.90 -0.24 0.25 -0.34 0.00 0.00 178.44 178.98 1xjb h LEU 203 N 0.99 -0.68 -0.90 2.25 5.85 -0.30 0.15 115.31 122.67 1xjb h LEU 203 Ca 0.22 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.06 1xjb h LEU 203 Cb 0.29 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1xjb h LEU 203 CO -0.01 -0.33 0.57 0.44 -0.34 0.00 0.00 178.44 178.77 1xjb h ASP 204 N -0.45 0.93 -0.40 1.25 3.32 -0.72 0.16 116.42 120.51 1xjb h ASP 204 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1xjb h ASP 204 Cb 0.47 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1xjb h ASP 204 CO -0.13 0.62 0.21 0.15 -1.72 0.00 0.00 179.24 178.37 1xjb h PHE 205 N 1.08 0.56 -0.26 4.55 3.57 -0.81 -0.31 116.94 125.32 1xjb h PHE 205 Ca 0.38 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.88 1xjb h PHE 205 Cb 0.09 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1xjb h PHE 205 CO -0.02 0.45 0.11 0.00 -2.23 0.00 0.00 178.31 176.62 1xjb h LYS 207 N 0.24 0.79 0.00 0.00 1.57 -0.41 0.13 116.57 118.89 1xjb h LYS 207 Ca 0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1xjb h LYS 207 Cb 0.05 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1xjb h LYS 207 CO -0.09 0.52 0.00 0.66 -0.57 0.00 0.00 179.45 179.97 1xjb h SER 208 N 0.82 0.00 -0.04 0.86 4.64 0.04 -0.47 113.55 119.40 1xjb h SER 208 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1xjb h SER 208 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1xjb h SER 208 CO -0.24 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.01 1xjb n LYS 209 N -2.54 2.65 -3.71 4.77 4.76 -0.26 -4.99 118.16 118.83 1xjb n LYS 209 Ca -0.01 -1.80 -0.25 0.00 -2.87 0.00 0.00 58.31 53.38 1xjb n LYS 209 Cb 0.09 -1.14 0.05 0.00 -1.84 0.00 0.00 35.03 32.19 1xjb n LYS 209 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1xjb n ASP 210 N -0.59 -4.01 -4.53 4.39 2.03 -0.19 -4.98 116.55 108.67 1xjb n ASP 210 Ca 0.05 -0.70 -0.34 0.00 0.52 0.00 0.00 54.79 54.31 1xjb n ASP 210 Cb 0.36 -4.42 -0.11 0.00 -0.72 0.00 0.00 41.12 36.23 1xjb n ASP 210 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1xjb s ILE 211 N -3.40 4.18 0.02 5.18 1.01 -0.13 -4.34 121.20 123.71 1xjb s ILE 211 Ca 0.40 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 1xjb s ILE 211 Cb -0.19 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1xjb s ILE 211 CO 0.78 0.47 0.98 -0.69 0.00 0.00 0.00 174.94 176.49 1xjb s VAL 212 N 0.48 4.79 -0.21 2.92 1.01 -0.40 -3.90 120.40 125.08 1xjb s VAL 212 Ca -0.01 2.04 -0.17 0.00 0.00 0.00 0.00 61.98 63.84 1xjb s VAL 212 Cb -0.14 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1xjb s VAL 212 CO 0.02 0.18 0.47 -0.22 0.00 0.00 0.00 175.10 175.55 1xjb s LEU 213 N 0.86 4.13 -0.22 3.92 0.20 -1.26 -0.80 118.68 125.50 1xjb s LEU 213 Ca 0.51 0.57 -0.08 0.00 0.69 0.00 0.00 54.13 55.83 1xjb s LEU 213 Cb -0.22 -2.62 -0.04 0.00 -0.43 0.00 0.00 46.19 42.89 1xjb s LEU 213 CO 0.28 -0.16 0.09 -0.69 -0.29 0.00 0.00 176.35 175.59 1xjb s VAL 214 N 1.65 4.77 -0.24 1.68 1.01 -0.87 -2.13 120.40 126.27 1xjb s VAL 214 Ca 0.21 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1xjb s VAL 214 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1xjb s VAL 214 CO 0.09 0.38 0.43 0.00 0.00 0.00 0.00 175.10 176.00 1xjb s ALA 215 N 1.05 3.57 0.42 5.51 0.00 0.40 -0.58 121.76 132.13 1xjb s ALA 215 Ca 0.05 -0.64 0.08 0.00 0.00 0.00 0.00 51.96 51.45 1xjb s ALA 215 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 1xjb s ALA 215 CO 0.04 -0.57 0.41 1.52 0.00 0.00 0.00 175.76 177.16 1xjb s TYR 216 N 1.90 2.73 -1.66 0.00 -0.85 -0.21 -1.43 117.35 117.83 1xjb s TYR 216 Ca 0.19 -0.47 -0.18 0.00 -0.52 0.00 0.00 57.07 56.08 1xjb s TYR 216 Cb -0.15 -2.21 0.16 0.00 0.38 0.00 0.00 41.96 40.13 1xjb s TYR 216 CO 0.09 -0.17 0.75 0.43 -1.52 0.00 0.00 175.55 175.12 1xjb n SER 217 N -1.60 -3.27 0.26 -0.18 7.64 -1.26 -2.24 113.62 112.97 1xjb n SER 217 Ca 0.04 -0.95 0.16 0.00 1.01 0.00 0.00 58.87 59.14 1xjb n SER 217 Cb 0.61 -2.69 0.62 0.00 -1.01 0.00 0.00 64.21 61.74 1xjb n SER 217 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xjb h ALA 218 N 0.92 1.00 -0.69 -0.43 0.00 -1.79 -2.38 119.26 115.89 1xjb h ALA 218 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1xjb h ALA 218 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xjb h ALA 218 CO 0.76 0.00 0.00 1.28 0.00 0.00 0.00 179.25 181.29 1xjb n LEU 219 N -3.04 4.20 0.00 0.00 4.77 -1.26 -4.73 117.00 116.94 1xjb n LEU 219 Ca 0.01 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 1xjb n LEU 219 Cb 0.33 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1xjb n LEU 219 CO 0.28 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 1xjb n GLY 220 N 1.43 0.80 0.15 -0.72 0.00 -0.90 -4.37 105.19 101.58 1xjb n GLY 220 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.28 1xjb n GLY 220 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xjb n SER 221 N 0.00 -0.89 0.03 1.61 3.41 -1.22 -4.52 113.62 112.05 1xjb n SER 221 Ca 0.00 0.13 0.05 0.00 -0.26 0.00 0.00 58.87 58.79 1xjb n SER 221 Cb 0.00 -0.51 0.24 0.00 -0.26 0.00 0.00 64.21 63.68 1xjb n SER 221 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjb n HIS 222 N -2.51 0.18 -2.26 7.33 1.44 -1.26 -4.89 115.22 113.25 1xjb n HIS 222 Ca -0.01 0.08 -0.08 0.00 -2.01 0.00 0.00 57.72 55.71 1xjb n HIS 222 Cb 0.07 -0.63 -0.01 0.00 0.12 0.00 0.00 29.99 29.54 1xjb n HIS 222 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xjb n ARG 223 N -1.67 -2.28 -2.31 -1.40 1.74 -1.26 -4.92 116.66 104.55 1xjb n ARG 223 Ca 0.01 0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 57.08 1xjb n ARG 223 Cb 0.10 -4.90 -0.03 0.00 -1.02 0.00 0.00 32.46 26.61 1xjb n ARG 223 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1xjb s GLU 224 N -4.64 4.41 -0.15 5.56 2.12 -1.26 -4.76 118.70 119.98 1xjb s GLU 224 Ca 0.00 1.92 -0.12 0.00 0.36 0.00 0.00 54.97 57.13 1xjb s GLU 224 Cb 0.00 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 1xjb s GLU 224 CO 0.00 -0.26 0.24 -1.21 -0.54 0.00 0.00 175.26 173.49 1xjb s GLU 225 N 0.56 4.07 -0.13 4.30 2.02 -1.26 -0.97 118.70 127.29 1xjb s GLU 225 Ca 0.58 0.01 0.15 0.00 0.02 0.00 0.00 54.97 55.73 1xjb s GLU 225 Cb -0.33 -3.37 0.39 0.00 0.10 0.00 0.00 34.13 30.92 1xjb s GLU 225 CO 0.33 0.39 1.29 -0.35 0.02 0.00 0.00 175.26 176.93 1xjb n PRO 226 N 3.13 2.46 -0.23 0.39 -0.04 -1.26 -4.92 135.00 134.52 1xjb n PRO 226 Ca -0.14 -2.55 -0.07 0.00 -0.04 0.00 0.00 63.50 60.70 1xjb n PRO 226 Cb 0.52 -1.60 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1xjb n PRO 226 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1xjb h TRP 227 N 1.17 0.97 -3.59 0.54 4.06 -1.64 -3.43 115.95 114.04 1xjb h TRP 227 Ca 0.00 -0.07 -0.65 0.00 2.06 0.00 0.00 58.89 60.23 1xjb h TRP 227 Cb 1.14 -0.29 -0.32 0.00 -1.00 0.00 0.00 29.16 28.68 1xjb h TRP 227 CO 0.28 0.75 -0.87 0.08 -3.56 0.00 0.00 178.44 175.12 1xjb s VAL 228 N -5.60 1.88 0.01 1.49 1.01 -0.14 -4.45 120.40 114.61 1xjb s VAL 228 Ca -0.13 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 1xjb s VAL 228 Cb 0.14 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 1xjb s VAL 228 CO 0.80 0.52 1.84 -0.62 0.00 0.00 0.00 175.10 177.65 1xjb s ASP 229 N 0.21 6.53 0.53 3.32 -1.08 -1.26 -4.43 116.67 120.49 1xjb s ASP 229 Ca -0.13 2.53 0.28 0.00 -0.52 0.00 0.00 52.55 54.71 1xjb s ASP 229 Cb -0.16 -2.54 1.51 0.00 -1.46 0.00 0.00 42.92 40.28 1xjb s ASP 229 CO 0.06 -1.00 2.10 1.55 0.52 0.00 0.00 175.17 178.40 1xjb h PRO 230 N 10.01 0.00 0.00 4.34 0.13 -1.96 -0.02 132.00 144.50 1xjb h PRO 230 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xjb h PRO 230 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xjb h PRO 230 CO 0.94 0.10 0.00 -0.91 -0.23 0.00 0.00 178.00 177.90 1xjb h ASN 231 N 0.00 0.00 -3.99 1.44 2.35 -2.01 -3.45 115.58 109.92 1xjb h ASN 231 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1xjb h ASN 231 Cb 0.30 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.76 1xjb h ASN 231 CO 0.01 0.00 0.58 -0.94 -1.65 0.00 0.00 177.43 175.43 1xjb s SER 232 N -4.36 5.99 0.26 5.81 1.04 -0.03 -4.93 113.70 117.49 1xjb s SER 232 Ca 0.02 2.59 -0.31 0.00 0.48 0.00 0.00 55.95 58.73 1xjb s SER 232 Cb 0.09 -2.63 -0.13 0.00 0.10 0.00 0.00 66.02 63.45 1xjb s SER 232 CO 0.37 -1.06 1.40 -2.65 0.98 0.00 0.00 173.24 172.27 1xjb n PRO 233 N -0.36 2.08 -2.21 4.02 -0.02 -1.26 -4.93 135.00 132.32 1xjb n PRO 233 Ca 0.06 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 1xjb n PRO 233 Cb 0.45 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1xjb n PRO 233 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xjb s VAL 234 N -0.22 3.75 0.13 -1.45 1.01 -1.26 -4.93 120.40 117.43 1xjb s VAL 234 Ca 0.66 0.78 -0.26 0.00 0.00 0.00 0.00 61.98 63.16 1xjb s VAL 234 Cb -0.63 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 1xjb s VAL 234 CO 0.52 -0.58 1.63 0.25 0.00 0.00 0.00 175.10 176.91 1xjb h LEU 235 N 12.56 -0.85 -0.61 3.92 5.85 -1.87 -2.05 115.31 132.26 1xjb h LEU 235 Ca -0.30 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1xjb h LEU 235 Cb 1.13 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1xjb h LEU 235 CO 1.06 -0.35 0.00 0.18 -0.34 0.00 0.00 178.44 178.99 1xjb n LEU 236 N -5.39 0.35 -0.22 2.25 4.77 -1.26 -0.51 117.00 116.99 1xjb n LEU 236 Ca -0.04 0.62 0.15 0.00 -0.03 0.00 0.00 56.01 56.71 1xjb n LEU 236 Cb 0.31 -0.62 0.69 0.00 -2.33 0.00 0.00 43.42 41.47 1xjb n LEU 236 CO 0.20 -0.60 0.95 -0.62 -1.33 0.00 0.00 177.39 175.99 1xjb n GLU 237 N -1.93 1.18 -1.69 3.23 1.02 -0.78 -4.74 120.64 116.94 1xjb n GLU 237 Ca 0.01 -0.44 -0.44 0.00 -0.02 0.00 0.00 57.16 56.27 1xjb n GLU 237 Cb 0.11 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 1xjb n GLU 237 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xjb n ASP 238 N -0.53 2.95 0.06 1.62 -0.08 0.34 -4.84 116.55 116.06 1xjb n ASP 238 Ca 0.19 1.15 -0.12 0.00 -1.51 0.00 0.00 54.79 54.50 1xjb n ASP 238 Cb 0.25 -1.46 -0.07 0.00 2.34 0.00 0.00 41.12 42.18 1xjb n ASP 238 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xjb h PRO 239 N 4.23 -0.05 -0.14 -0.67 0.13 -1.93 -0.46 132.00 133.09 1xjb h PRO 239 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xjb h PRO 239 Cb 1.27 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1xjb h PRO 239 CO 0.76 0.01 0.09 0.28 -0.23 0.00 0.00 178.00 178.91 1xjb h VAL 240 N -0.11 1.03 -0.46 1.56 2.07 -1.99 0.05 116.25 118.41 1xjb h VAL 240 Ca -0.01 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1xjb h VAL 240 Cb 0.09 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1xjb h VAL 240 CO 0.01 0.03 0.14 -0.07 0.02 0.00 0.00 177.57 177.71 1xjb h LEU 241 N 0.19 0.12 -0.75 2.57 3.38 -1.90 -0.72 115.31 118.21 1xjb h LEU 241 Ca 0.05 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1xjb h LEU 241 Cb -0.02 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1xjb h LEU 241 CO -0.01 0.10 0.40 0.00 0.09 0.00 0.00 178.44 179.01 1xjb h ALA 243 N 1.20 -0.99 -0.97 0.00 0.00 -0.63 -1.06 119.26 116.82 1xjb h ALA 243 Ca 0.26 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1xjb h ALA 243 Cb 0.06 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1xjb h ALA 243 CO -0.04 -1.04 0.61 -0.07 0.00 0.00 0.00 179.25 178.71 1xjb h LEU 244 N -1.01 0.76 -0.76 0.00 3.38 -1.03 -0.68 115.31 115.98 1xjb h LEU 244 Ca -0.10 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xjb h LEU 244 Cb 0.76 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1xjb h LEU 244 CO 0.17 0.35 0.43 0.00 0.09 0.00 0.00 178.44 179.47 1xjb h ALA 245 N 1.60 0.97 -0.20 1.53 0.00 0.09 -2.00 119.26 121.25 1xjb h ALA 245 Ca 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1xjb h ALA 245 Cb 0.75 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xjb h ALA 245 CO -0.28 0.47 0.08 0.87 0.00 0.00 0.00 179.25 180.39 1xjb h LYS 246 N 1.04 0.29 -0.45 0.00 1.57 -0.08 0.28 116.57 119.22 1xjb h LYS 246 Ca 0.27 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.08 1xjb h LYS 246 Cb 0.01 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 1xjb h LYS 246 CO -0.05 0.35 0.05 -0.22 -0.57 0.00 0.00 179.45 179.01 1xjb h LYS 247 N 0.17 0.17 -0.01 3.15 3.64 -1.03 -0.57 116.57 122.09 1xjb h LYS 247 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xjb h LYS 247 Cb 0.16 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xjb h LYS 247 CO -0.01 0.11 -0.05 0.72 -2.27 0.00 0.00 179.45 177.96 1xjb n HIS 248 N -5.16 0.00 -3.90 1.91 8.25 -0.76 -4.93 115.22 110.63 1xjb n HIS 248 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 1xjb n HIS 248 Cb 0.23 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.31 1xjb n HIS 248 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xjb n LYS 249 N -0.35 -1.47 0.00 -0.41 5.02 -0.12 -5.00 118.16 115.83 1xjb n LYS 249 Ca 0.19 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1xjb n LYS 249 Cb 0.29 -3.77 0.00 0.00 -0.02 0.00 0.00 35.03 31.53 1xjb n LYS 249 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xjb n ARG 250 N -4.50 2.07 -4.29 1.97 5.12 0.79 -5.02 116.66 112.81 1xjb n ARG 250 Ca -0.17 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.59 1xjb n ARG 250 Cb 0.62 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.81 1xjb n ARG 250 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1xjb s THR 251 N 2.65 0.98 0.50 0.55 -4.23 -1.26 -4.64 115.64 110.19 1xjb s THR 251 Ca 0.00 -2.03 0.19 0.00 -1.18 0.00 0.00 61.69 58.67 1xjb s THR 251 Cb 0.00 -2.16 0.26 0.00 1.34 0.00 0.00 72.50 71.94 1xjb s THR 251 CO 0.00 -0.47 2.12 -0.65 -0.54 0.00 0.00 174.62 175.07 1xjb h PRO 252 N 2.61 0.00 0.23 3.99 0.11 -1.86 -1.81 132.00 135.27 1xjb h PRO 252 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1xjb h PRO 252 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xjb h PRO 252 CO 0.64 0.06 -0.11 0.00 -0.21 0.00 0.00 178.00 178.38 1xjb h ALA 253 N 1.94 -0.31 -0.83 -0.75 0.00 -1.94 -1.46 119.26 115.91 1xjb h ALA 253 Ca -0.00 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1xjb h ALA 253 Cb 0.12 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1xjb h ALA 253 CO 0.01 -0.53 0.37 -0.07 0.00 0.00 0.00 179.25 179.03 1xjb h LEU 254 N -0.60 0.37 -0.53 0.00 3.38 -1.79 0.64 115.31 116.78 1xjb h LEU 254 Ca -0.03 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xjb h LEU 254 Cb 0.44 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1xjb h LEU 254 CO 0.05 0.11 0.29 0.40 0.09 0.00 0.00 178.44 179.38 1xjb h ILE 255 N 0.49 1.18 -0.47 1.22 1.08 -1.18 -0.38 117.51 119.45 1xjb h ILE 255 Ca 0.47 -0.47 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1xjb h ILE 255 Cb 0.76 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1xjb h ILE 255 CO -0.43 0.20 0.15 0.00 -0.69 0.00 0.00 178.15 177.38 1xjb h ALA 256 N 1.12 0.61 -0.19 1.87 0.00 0.02 -1.53 119.26 121.16 1xjb h ALA 256 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xjb h ALA 256 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xjb h ALA 256 CO -0.03 0.26 0.10 -0.07 0.00 0.00 0.00 179.25 179.51 1xjb h LEU 257 N 0.62 0.24 -0.96 0.00 3.38 -0.85 -3.16 115.31 114.58 1xjb h LEU 257 Ca 0.15 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1xjb h LEU 257 Cb 0.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1xjb h LEU 257 CO -0.01 0.27 0.07 -0.09 0.09 0.00 0.00 178.44 178.77 1xjb h ARG 258 N 0.20 0.83 -0.56 1.13 9.65 -0.92 -2.35 114.38 122.35 1xjb h ARG 258 Ca 0.07 -0.20 0.11 0.00 -1.10 0.00 0.00 59.98 58.86 1xjb h ARG 258 Cb 0.08 -0.11 -0.11 0.00 -1.39 0.00 0.00 29.97 28.44 1xjb h ARG 258 CO -0.01 0.79 -0.18 -0.92 2.80 0.00 0.00 179.97 182.44 1xjb h TYR 259 N 0.78 -0.43 -0.28 2.20 3.20 -1.29 -2.10 116.97 119.05 1xjb h TYR 259 Ca 0.16 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1xjb h TYR 259 Cb 0.38 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1xjb h TYR 259 CO 0.02 -0.28 0.05 1.96 -1.64 0.00 0.00 178.16 178.27 1xjb h GLN 260 N -0.05 0.46 -0.95 1.82 1.08 -1.40 -2.89 115.11 113.19 1xjb h GLN 260 Ca 0.27 -0.12 0.15 0.00 -1.45 0.00 0.00 58.65 57.50 1xjb h GLN 260 Cb 0.46 -0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.74 1xjb h GLN 260 CO -0.60 0.56 0.56 -0.07 -0.95 0.00 0.00 178.83 178.32 1xjb h LEU 261 N 0.28 0.74 -0.00 1.46 3.38 -1.17 0.68 115.31 120.68 1xjb h LEU 261 Ca 0.09 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xjb h LEU 261 Cb 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xjb h LEU 261 CO 0.00 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1xjb n GLN 262 N -4.76 0.01 -0.44 1.13 6.02 -0.81 -2.60 117.38 115.92 1xjb n GLN 262 Ca 0.20 0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.28 1xjb n GLN 262 Cb 0.46 -1.51 0.27 0.00 1.02 0.00 0.00 30.24 30.49 1xjb n GLN 262 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1xjb n ARG 263 N -1.52 3.27 -0.83 -1.09 1.85 -0.67 -4.95 116.66 112.72 1xjb n ARG 263 Ca 0.07 -2.63 0.00 0.00 -1.00 0.00 0.00 57.85 54.29 1xjb n ARG 263 Cb 0.34 -1.69 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 1xjb n ARG 263 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xjb n GLY 264 N 0.58 0.48 3.64 2.89 0.00 -1.07 -5.05 105.19 106.66 1xjb n GLY 264 Ca 0.21 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1xjb n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjb s VAL 265 N -2.00 4.18 0.00 1.61 1.01 0.14 -4.68 120.40 120.67 1xjb s VAL 265 Ca 0.00 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 1xjb s VAL 265 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1xjb s VAL 265 CO 0.00 0.59 0.81 -0.69 0.00 0.00 0.00 175.10 175.81 1xjb s VAL 266 N -0.67 4.85 -0.07 2.92 1.01 -0.91 -3.50 120.40 124.04 1xjb s VAL 266 Ca 0.11 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.85 1xjb s VAL 266 Cb -0.12 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1xjb s VAL 266 CO 0.02 0.27 -0.24 0.54 0.00 0.00 0.00 175.10 175.70 1xjb s VAL 267 N 0.49 2.15 0.38 2.92 0.11 -0.55 -0.45 120.40 125.44 1xjb s VAL 267 Ca 0.42 -1.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.44 1xjb s VAL 267 Cb -0.20 -1.79 -0.03 0.00 -1.53 0.00 0.00 36.38 32.82 1xjb s VAL 267 CO 0.23 0.57 0.60 -0.76 -3.33 0.00 0.00 175.10 172.41 1xjb s LEU 268 N -0.06 3.93 -0.27 2.54 1.43 -0.51 -0.62 118.68 125.12 1xjb s LEU 268 Ca -0.07 0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1xjb s LEU 268 Cb -0.15 -3.42 0.13 0.00 0.03 0.00 0.00 46.19 42.79 1xjb s LEU 268 CO 0.05 -0.36 0.56 0.00 0.23 0.00 0.00 176.35 176.82 1xjb s ALA 269 N -2.41 -1.75 -0.19 4.21 0.00 0.40 -4.49 121.76 117.54 1xjb s ALA 269 Ca 0.42 1.92 -0.12 0.00 0.00 0.00 0.00 51.96 54.18 1xjb s ALA 269 Cb -0.10 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 1xjb s ALA 269 CO 0.38 -0.96 0.22 0.21 0.00 0.00 0.00 175.76 175.60 1xjb s LYS 270 N 2.78 4.20 -0.12 0.00 2.36 -1.26 -1.48 119.74 126.22 1xjb s LYS 270 Ca 0.01 -0.07 -0.13 0.00 -2.55 0.00 0.00 55.97 53.22 1xjb s LYS 270 Cb -0.13 -3.45 0.03 0.00 -1.05 0.00 0.00 37.83 33.24 1xjb s LYS 270 CO -0.17 0.22 0.37 0.45 1.55 0.00 0.00 175.35 177.76 1xjb s SER 271 N 0.56 -0.37 -0.09 1.43 0.15 -1.26 -4.94 113.70 109.18 1xjb s SER 271 Ca 0.12 0.67 0.18 0.00 0.70 0.00 0.00 55.95 57.63 1xjb s SER 271 Cb -0.12 0.70 0.66 0.00 -1.71 0.00 0.00 66.02 65.55 1xjb s SER 271 CO 0.02 -0.17 1.57 -1.22 1.20 0.00 0.00 173.24 174.64 1xjb n TYR 272 N 2.69 1.28 -3.58 3.44 4.02 -1.26 -4.78 117.16 118.97 1xjb n TYR 272 Ca -0.14 -0.60 -0.39 0.00 -0.01 0.00 0.00 57.90 56.76 1xjb n TYR 272 Cb 0.57 -0.19 -0.11 0.00 -0.02 0.00 0.00 39.34 39.59 1xjb n TYR 272 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1xjb s ASN 273 N -1.00 5.92 0.25 7.72 3.04 -1.26 -4.90 114.94 124.71 1xjb s ASN 273 Ca 0.48 -0.28 -0.05 0.00 0.04 0.00 0.00 52.86 53.05 1xjb s ASN 273 Cb 0.30 -2.10 0.47 0.00 -1.54 0.00 0.00 41.25 38.38 1xjb s ASN 273 CO 0.24 -0.15 1.67 -0.08 -3.04 0.00 0.00 177.10 175.74 1xjb h GLU 274 N 8.42 0.22 -0.37 0.43 4.81 -1.98 0.43 114.58 126.53 1xjb h GLU 274 Ca -0.33 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.76 1xjb h GLU 274 Cb 1.17 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1xjb h GLU 274 CO 0.60 0.15 -0.28 1.96 -0.73 0.00 0.00 179.01 180.71 1xjb h GLN 275 N 0.23 0.79 -0.08 1.92 7.50 -2.00 -2.90 115.11 120.57 1xjb h GLN 275 Ca 0.42 -0.35 -0.23 0.00 0.50 0.00 0.00 58.65 59.00 1xjb h GLN 275 Cb 0.74 -0.02 0.01 0.00 0.05 0.00 0.00 27.48 28.26 1xjb h GLN 275 CO -0.55 0.97 -0.86 0.00 -1.50 0.00 0.00 178.83 176.89 1xjb h ARG 276 N 0.67 0.62 -0.89 1.46 3.08 -1.51 -0.82 114.38 117.00 1xjb h ARG 276 Ca 0.08 -0.57 0.23 0.00 0.07 0.00 0.00 59.98 59.80 1xjb h ARG 276 Cb 0.81 0.14 -0.13 0.00 0.08 0.00 0.00 29.97 30.86 1xjb h ARG 276 CO 0.07 1.18 0.32 0.82 -1.07 0.00 0.00 179.97 181.30 1xjb h ILE 277 N 0.40 0.39 -0.18 2.04 2.04 -0.28 -0.64 117.51 121.26 1xjb h ILE 277 Ca -0.07 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 1xjb h ILE 277 Cb 1.48 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1xjb h ILE 277 CO 0.16 0.05 -0.40 0.03 0.00 0.00 0.00 178.15 178.00 1xjb h ARG 278 N 0.30 0.60 -0.36 2.37 -0.00 -1.21 -3.29 114.38 112.78 1xjb h ARG 278 Ca 0.56 -0.40 0.08 0.00 -0.50 0.00 0.00 59.98 59.73 1xjb h ARG 278 Cb 1.12 0.05 -0.08 0.00 0.00 0.00 0.00 29.97 31.06 1xjb h ARG 278 CO -0.59 1.01 -0.26 0.37 0.00 0.00 0.00 179.97 180.50 1xjb h GLN 279 N 0.26 -0.20 -0.75 0.04 4.15 0.01 -3.01 115.11 115.62 1xjb h GLN 279 Ca 0.00 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.51 1xjb h GLN 279 Cb 1.01 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.69 1xjb h GLN 279 CO 0.09 -0.13 0.49 -0.91 -1.93 0.00 0.00 178.83 176.44 1xjb h ASN 280 N -0.21 0.65 0.29 -0.69 2.35 -1.24 0.30 115.58 117.04 1xjb h ASN 280 Ca 0.17 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1xjb h ASN 280 Cb 0.48 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1xjb h ASN 280 CO -0.48 0.41 0.00 0.52 -1.65 0.00 0.00 177.43 176.23 1xjb n VAL 281 N -4.49 1.30 1.79 2.81 0.31 -1.14 -1.83 118.33 117.08 1xjb n VAL 281 Ca 0.12 0.42 0.15 0.00 -0.01 0.00 0.00 64.34 65.02 1xjb n VAL 281 Cb 0.27 -1.33 0.85 0.00 -0.91 0.00 0.00 33.84 32.72 1xjb n VAL 281 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xjb n GLN 282 N -1.78 0.89 0.27 5.55 6.02 0.11 -3.29 117.38 125.15 1xjb n GLN 282 Ca 0.01 -0.09 0.18 0.00 -0.01 0.00 0.00 57.00 57.09 1xjb n GLN 282 Cb 0.10 -1.50 0.87 0.00 1.02 0.00 0.00 30.24 30.73 1xjb n GLN 282 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1xjb h VAL 283 N 0.22 0.15 -0.35 5.09 3.04 -1.50 -1.53 116.25 121.37 1xjb h VAL 283 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1xjb h VAL 283 Cb 0.13 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1xjb h VAL 283 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 1xjb n PHE 284 N -3.23 0.50 0.67 3.17 3.72 -1.21 -4.13 117.46 116.96 1xjb n PHE 284 Ca 0.00 -0.24 0.07 0.00 -0.05 0.00 0.00 57.45 57.23 1xjb n PHE 284 Cb 0.37 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.81 1xjb n PHE 284 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1xjb n GLU 285 N 0.53 2.13 -4.05 -1.08 4.71 -0.57 -5.01 120.64 117.29 1xjb n GLU 285 Ca 0.12 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.17 1xjb n GLU 285 Cb 0.32 -1.19 -0.07 0.00 -1.01 0.00 0.00 31.44 29.48 1xjb n GLU 285 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1xjb s PHE 286 N -2.40 0.61 0.15 -0.32 -0.71 -1.26 -5.18 117.98 108.87 1xjb s PHE 286 Ca 0.05 -0.93 0.07 0.00 -1.04 0.00 0.00 56.93 55.08 1xjb s PHE 286 Cb 0.11 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1xjb s PHE 286 CO 0.60 -0.82 -0.15 -0.65 -1.34 0.00 0.00 175.22 172.86 1xjb s GLN 287 N -4.05 1.13 -0.04 1.99 -0.21 -1.26 -5.02 119.66 112.20 1xjb s GLN 287 Ca 0.26 -1.35 -0.02 0.00 0.02 0.00 0.00 55.36 54.28 1xjb s GLN 287 Cb 0.03 -1.01 -0.04 0.00 1.00 0.00 0.00 33.01 32.99 1xjb s GLN 287 CO 0.08 0.19 0.09 -0.51 -2.12 0.00 0.00 175.29 173.02 1xjb s LEU 288 N -2.69 3.99 0.82 2.90 1.43 -1.26 -5.12 118.68 118.75 1xjb s LEU 288 Ca 0.13 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1xjb s LEU 288 Cb -0.04 -2.20 0.10 0.00 0.03 0.00 0.00 46.19 44.08 1xjb s LEU 288 CO 0.04 0.31 1.18 0.42 0.23 0.00 0.00 176.35 178.53 1xjb s THR 289 N -1.13 2.04 0.20 5.49 -4.23 -1.26 -4.88 115.64 111.87 1xjb s THR 289 Ca 0.20 -0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.64 1xjb s THR 289 Cb -0.12 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.68 1xjb s THR 289 CO 0.11 0.00 1.51 0.77 -0.54 0.00 0.00 174.62 176.47 1xjb h SER 290 N -1.09 0.58 -0.89 3.99 4.64 -1.99 -1.88 113.55 116.91 1xjb h SER 290 Ca -0.45 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 1xjb h SER 290 Cb 1.31 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1xjb h SER 290 CO 0.60 1.02 0.56 1.05 -0.87 0.00 0.00 176.83 179.19 1xjb h GLU 291 N 0.40 1.19 -0.30 4.77 4.11 -1.99 0.34 114.58 123.11 1xjb h GLU 291 Ca 0.01 -0.09 -0.14 0.00 0.07 0.00 0.00 59.36 59.20 1xjb h GLU 291 Cb 1.09 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1xjb h GLU 291 CO 0.10 0.81 -0.39 0.93 0.07 0.00 0.00 179.01 180.53 1xjb h GLU 292 N 1.22 0.72 -0.37 1.06 5.08 -1.82 -0.62 114.58 119.85 1xjb h GLU 292 Ca 0.32 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1xjb h GLU 292 Cb -0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1xjb h GLU 292 CO -0.07 0.99 0.20 0.52 -1.00 0.00 0.00 179.01 179.65 1xjb h MET 293 N 0.59 0.52 -0.85 2.33 2.86 -1.11 -0.60 114.93 118.67 1xjb h MET 293 Ca 0.05 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1xjb h MET 293 Cb 0.93 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.44 1xjb h MET 293 CO 0.09 0.42 0.55 0.87 1.06 0.00 0.00 176.91 179.90 1xjb h LYS 294 N 0.47 0.87 -0.44 1.72 1.57 -0.66 0.39 116.57 120.50 1xjb h LYS 294 Ca 0.13 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1xjb h LYS 294 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1xjb h LYS 294 CO -0.02 0.58 -0.17 0.00 -0.57 0.00 0.00 179.45 179.27 1xjb h ALA 295 N 1.55 0.61 -0.30 3.86 0.00 -0.35 -2.14 119.26 122.49 1xjb h ALA 295 Ca 0.38 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1xjb h ALA 295 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xjb h ALA 295 CO -0.14 0.55 -0.51 0.82 0.00 0.00 0.00 179.25 179.97 1xjb h ILE 296 N 0.71 1.28 -0.61 0.00 2.04 -0.58 -2.94 117.51 117.41 1xjb h ILE 296 Ca 0.10 -1.69 0.12 0.00 1.00 0.00 0.00 64.86 64.39 1xjb h ILE 296 Cb 0.72 1.58 -0.09 0.00 -0.74 0.00 0.00 36.82 38.29 1xjb h ILE 296 CO 0.06 0.55 0.12 0.44 0.00 0.00 0.00 178.15 179.31 1xjb h ASP 297 N 0.67 -0.03 -0.30 1.72 3.32 -0.81 -1.16 116.42 119.83 1xjb h ASP 297 Ca 0.03 0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.28 1xjb h ASP 297 Cb 1.10 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1xjb h ASP 297 CO 0.11 -0.01 0.60 1.23 -1.72 0.00 0.00 179.24 179.46 1xjb h GLY 298 N 0.24 0.00 1.89 2.75 0.00 -1.20 -2.82 103.07 103.94 1xjb h GLY 298 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1xjb h GLY 298 CO -0.42 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.16 1xjb n LEU 299 N -3.17 0.00 -4.70 3.11 4.77 -0.44 -4.87 117.00 111.70 1xjb n LEU 299 Ca 0.05 0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 1xjb n LEU 299 Cb 0.73 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1xjb n LEU 299 CO 0.18 -0.07 1.44 0.21 -1.33 0.00 0.00 177.39 177.81 1xjb s ASN 300 N -2.89 6.39 0.00 -1.43 2.47 -0.69 -4.31 114.94 114.48 1xjb s ASN 300 Ca 0.15 2.83 0.00 0.00 0.42 0.00 0.00 52.86 56.26 1xjb s ASN 300 Cb 0.16 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 1xjb s ASN 300 CO 0.43 -1.00 0.00 0.54 -3.72 0.00 0.00 177.10 173.35 1xjb n ARG 301 N 4.91 6.45 -2.27 0.43 1.74 -0.49 -4.98 116.66 122.44 1xjb n ARG 301 Ca 0.17 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.08 1xjb n ARG 301 Cb 0.37 -0.50 -0.01 0.00 -1.02 0.00 0.00 32.46 31.29 1xjb n ARG 301 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xjb n ASN 302 N -0.98 -5.04 -4.55 0.55 4.13 -0.73 -5.00 115.26 103.64 1xjb n ASN 302 Ca 0.00 0.01 -0.40 0.00 1.68 0.00 0.00 54.58 55.87 1xjb n ASN 302 Cb 0.00 -4.13 -0.10 0.00 -1.54 0.00 0.00 39.78 34.01 1xjb n ASN 302 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1xjb s VAL 303 N -2.84 5.19 -0.39 2.41 0.11 -1.14 -5.04 120.40 118.70 1xjb s VAL 303 Ca 0.00 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.99 1xjb s VAL 303 Cb 0.00 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.08 1xjb s VAL 303 CO 0.00 -0.03 0.31 -0.60 -3.33 0.00 0.00 175.10 171.44 1xjb s ARG 304 N 1.98 3.15 0.23 1.54 3.52 -1.26 -4.49 118.95 123.61 1xjb s ARG 304 Ca 0.11 -0.86 -0.06 0.00 -0.13 0.00 0.00 55.73 54.78 1xjb s ARG 304 Cb -0.16 -3.93 0.31 0.00 -1.56 0.00 0.00 34.95 29.61 1xjb s ARG 304 CO 0.11 -0.67 1.84 1.88 -0.81 0.00 0.00 175.30 177.65 1xjb h TYR 305 N 8.60 0.90 -3.52 5.12 0.05 -1.97 -3.38 116.97 122.77 1xjb h TYR 305 Ca -0.28 0.03 -0.70 0.00 0.05 0.00 0.00 58.73 57.83 1xjb h TYR 305 Cb 1.13 -0.29 -0.35 0.00 1.01 0.00 0.00 36.73 38.23 1xjb h TYR 305 CO 0.59 0.45 -0.40 -0.51 -1.05 0.00 0.00 178.16 177.24 1xjb s LEU 306 N -10.22 5.29 0.23 3.88 1.43 -1.26 -4.40 118.68 113.63 1xjb s LEU 306 Ca -0.13 -2.61 0.14 0.00 -1.03 0.00 0.00 54.13 50.50 1xjb s LEU 306 Cb 0.18 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 1xjb s LEU 306 CO 0.78 -0.43 1.35 0.71 0.23 0.00 0.00 176.35 178.99 1xjb h THR 307 N 5.57 0.95 -6.85 5.49 1.35 -1.78 -3.47 112.91 114.17 1xjb h THR 307 Ca -0.05 -2.38 -0.57 0.00 -0.55 0.00 0.00 66.41 62.87 1xjb h THR 307 Cb 0.98 2.45 -0.27 0.00 -1.73 0.00 0.00 68.15 69.58 1xjb h THR 307 CO 0.72 0.54 -0.84 0.18 -0.25 0.00 0.00 175.52 175.87 1xjb n LEU 308 N -3.21 -1.33 0.00 3.87 4.77 -1.26 -4.81 117.00 115.04 1xjb n LEU 308 Ca 0.00 -1.05 0.08 0.00 -0.03 0.00 0.00 56.01 55.01 1xjb n LEU 308 Cb 0.78 -1.88 0.39 0.00 -2.33 0.00 0.00 43.42 40.38 1xjb n LEU 308 CO 0.42 0.21 0.73 -0.90 -1.33 0.00 0.00 177.39 176.52 1xjb n ASP 309 N -2.54 0.00 0.25 -1.43 3.85 -1.26 -1.11 116.55 114.31 1xjb n ASP 309 Ca 0.09 0.15 0.17 0.00 -0.71 0.00 0.00 54.79 54.49 1xjb n ASP 309 Cb 0.48 -0.33 0.90 0.00 -1.35 0.00 0.00 41.12 40.81 1xjb n ASP 309 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.20 176.35 1xjb h ILE 310 N 0.00 0.00 -0.62 2.12 3.07 -2.00 -0.65 117.51 119.43 1xjb h ILE 310 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1xjb h ILE 310 Cb 0.18 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 37.46 1xjb h ILE 310 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1xjb n PHE 311 N -2.66 1.04 -2.14 0.16 3.72 -0.27 -4.88 117.46 112.43 1xjb n PHE 311 Ca -0.02 -0.55 -0.34 0.00 -0.05 0.00 0.00 57.45 56.49 1xjb n PHE 311 Cb 0.07 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.52 1xjb n PHE 311 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xjb s ALA 312 N -1.33 2.68 0.00 4.37 0.00 -0.25 -4.25 121.76 122.97 1xjb s ALA 312 Ca 0.45 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1xjb s ALA 312 Cb 0.26 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1xjb s ALA 312 CO 0.27 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.61 1xjb n GLY 313 N -0.31 2.99 3.71 0.00 0.00 -1.26 -5.08 105.19 105.23 1xjb n GLY 313 Ca 0.10 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1xjb n GLY 313 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xjb s PRO 314 N 0.00 1.82 0.51 1.61 0.02 -1.26 -4.88 135.00 132.82 1xjb s PRO 314 Ca 0.00 1.75 0.21 0.00 0.02 0.00 0.00 61.00 62.98 1xjb s PRO 314 Cb 0.00 -1.80 1.30 0.00 0.02 0.00 0.00 34.50 34.02 1xjb s PRO 314 CO 0.00 -2.08 2.02 -1.35 -0.33 0.00 0.00 177.00 175.26 1xjb h PRO 315 N -0.70 0.09 -0.47 5.54 0.11 -1.99 -2.31 132.00 132.28 1xjb h PRO 315 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xjb h PRO 315 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xjb h PRO 315 CO 0.47 0.06 0.00 0.09 -0.21 0.00 0.00 178.00 178.41 1xjb n ASN 316 N -4.43 2.55 -4.67 -2.05 3.02 -1.26 -4.88 115.26 103.54 1xjb n ASN 316 Ca 0.08 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 1xjb n ASN 316 Cb 0.48 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 1xjb n ASN 316 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xjb s TYR 317 N -1.38 1.65 -0.50 3.10 5.04 -0.87 -4.39 117.35 120.00 1xjb s TYR 317 Ca 0.32 -0.28 0.24 0.00 -2.44 0.00 0.00 57.07 54.91 1xjb s TYR 317 Cb 0.17 -4.22 0.38 0.00 0.35 0.00 0.00 41.96 38.64 1xjb s TYR 317 CO 0.22 -5.27 1.48 -1.00 -1.34 0.00 0.00 175.55 169.64 1xjb h PRO 318 N 9.75 0.00 -0.68 4.97 0.13 -1.90 -3.39 132.00 140.88 1xjb h PRO 318 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xjb h PRO 318 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xjb h PRO 318 CO 0.94 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.90 1xjb n PHE 319 N -2.65 1.18 0.09 1.56 3.72 -1.26 -4.08 117.46 116.02 1xjb n PHE 319 Ca 0.03 -0.52 -0.12 0.00 -0.05 0.00 0.00 57.45 56.80 1xjb n PHE 319 Cb 0.50 -0.11 -0.10 0.00 -0.94 0.00 0.00 39.48 38.83 1xjb n PHE 319 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1xjb h SER 320 N 4.04 0.28 -4.17 4.37 0.02 -1.99 -3.47 113.55 112.63 1xjb h SER 320 Ca 0.00 -0.28 -0.50 0.00 -0.84 0.00 0.00 61.79 60.17 1xjb h SER 320 Cb 1.16 -0.09 0.14 0.00 0.14 0.00 0.00 62.40 63.75 1xjb h SER 320 CO 0.11 1.18 0.28 -1.81 -1.14 0.00 0.00 176.83 175.44 1xjb s ASP 321 N -6.98 3.88 0.17 3.07 1.01 -1.26 -4.93 116.67 111.63 1xjb s ASP 321 Ca -0.03 1.63 -0.14 0.00 0.71 0.00 0.00 52.55 54.72 1xjb s ASP 321 Cb 0.09 -2.31 0.13 0.00 1.01 0.00 0.00 42.92 41.83 1xjb s ASP 321 CO 0.85 -2.40 1.74 -0.08 0.21 0.00 0.00 175.17 175.49 1xjb h GLU 322 N -1.39 0.29 0.00 8.23 4.81 -1.93 -3.52 114.58 121.07 1xjb h GLU 322 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1xjb h GLU 322 Cb 1.26 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1xjb h GLU 322 CO 0.53 0.19 0.00 2.48 -0.73 0.00 0.00 179.01 181.48