#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjb n VAL 0 N 0.00 3.97 0.00 2.46 0.24 -1.26 -4.80 118.33 118.95 1xjb n VAL 0 Ca 0.00 -5.62 0.00 0.00 -2.04 0.00 0.00 64.34 56.68 1xjb n VAL 0 Cb 0.00 -1.91 0.00 0.00 -1.47 0.00 0.00 33.84 30.46 1xjb n VAL 0 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1xjb n ASP 1 N 0.70 0.00 -2.77 -1.34 5.75 -1.26 -4.54 116.55 113.09 1xjb n ASP 1 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1xjb n ASP 1 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1xjb n ASP 1 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1xjb n ASP 2 N 0.03 -0.24 -0.81 -1.12 4.64 -1.26 -4.76 116.55 113.03 1xjb n ASP 2 Ca 0.00 0.00 0.02 0.00 -1.38 0.00 0.00 54.79 53.43 1xjb n ASP 2 Cb 0.00 0.00 0.11 0.00 -1.04 0.00 0.00 41.12 40.19 1xjb n ASP 2 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 1xjb n SER 3 N -0.36 2.15 -4.69 1.67 2.88 -1.26 -4.82 113.62 109.17 1xjb n SER 3 Ca 0.00 -2.22 -0.35 0.00 -1.33 0.00 0.00 58.87 54.97 1xjb n SER 3 Cb 0.00 -0.48 -0.09 0.00 -0.75 0.00 0.00 64.21 62.89 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 -1.55 3.13 0.07 -1.46 1.02 -1.26 -5.10 119.74 114.59 1xjb s LYS 4 Ca 0.15 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.50 1xjb s LYS 4 Cb 0.11 -2.87 0.08 0.00 -0.52 0.00 0.00 37.83 34.64 1xjb s LYS 4 CO 0.06 0.66 0.97 1.52 -0.92 0.00 0.00 175.35 177.64 1xjb s TYR 5 N -0.76 -0.20 -0.09 3.18 -0.85 -1.26 -4.90 117.35 112.47 1xjb s TYR 5 Ca 0.12 -0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.35 1xjb s TYR 5 Cb -0.12 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.80 1xjb s TYR 5 CO 0.02 -0.66 1.07 -0.65 -1.52 0.00 0.00 175.55 173.80 1xjb s GLN 6 N -3.13 4.40 0.15 -3.49 -0.21 -1.26 -5.02 119.66 111.09 1xjb s GLN 6 Ca 0.10 1.47 0.01 0.00 0.02 0.00 0.00 55.36 56.97 1xjb s GLN 6 Cb -0.01 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.41 1xjb s GLN 6 CO -0.02 -0.36 -0.01 0.00 -2.12 0.00 0.00 175.29 172.77 1xjb s VAL 8 N -3.70 1.75 -0.03 0.00 -7.23 -0.14 -4.87 120.40 106.19 1xjb s VAL 8 Ca 0.20 -1.51 -0.28 0.00 -1.81 0.00 0.00 61.98 58.58 1xjb s VAL 8 Cb 0.06 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 1xjb s VAL 8 CO 0.01 -0.01 0.91 -0.75 -0.31 0.00 0.00 175.10 174.95 1xjb s LYS 9 N -1.81 4.52 0.48 4.82 2.20 -1.26 -0.56 119.74 128.12 1xjb s LYS 9 Ca 0.07 1.27 -0.02 0.00 -0.36 0.00 0.00 55.97 56.93 1xjb s LYS 9 Cb -0.10 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1xjb s LYS 9 CO 0.04 -0.04 0.73 -0.51 -0.36 0.00 0.00 175.35 175.21 1xjb s LEU 10 N 1.03 3.58 0.00 5.43 1.43 0.25 -4.95 118.68 125.44 1xjb s LEU 10 Ca 0.48 0.49 0.13 0.00 -1.03 0.00 0.00 54.13 54.20 1xjb s LEU 10 Cb -0.20 -3.36 0.66 0.00 0.03 0.00 0.00 46.19 43.32 1xjb s LEU 10 CO 0.25 -0.74 1.36 -0.46 0.23 0.00 0.00 176.35 176.98 1xjb n ASN 11 N -2.20 0.00 -1.10 2.29 0.23 -1.26 -1.22 115.26 112.00 1xjb n ASN 11 Ca 0.01 0.14 0.11 0.00 -0.53 0.00 0.00 54.58 54.31 1xjb n ASN 11 Cb 0.57 -0.31 0.22 0.00 -2.08 0.00 0.00 39.78 38.19 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 -1.31 3.43 0.00 0.53 5.75 -1.26 -4.98 116.55 118.71 1xjb n ASP 12 Ca 0.06 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1xjb n ASP 12 Cb 0.11 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1xjb n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xjb n GLY 13 N 1.36 0.23 3.96 6.12 0.00 -0.35 -5.06 105.19 111.45 1xjb n GLY 13 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.07 2.85 0.00 1.61 3.76 -1.26 -4.79 115.29 115.40 1xjb s HIS 14 Ca 0.00 0.08 0.08 0.00 -0.15 0.00 0.00 55.06 55.07 1xjb s HIS 14 Cb 0.00 -2.85 -0.02 0.00 1.11 0.00 0.00 32.58 30.82 1xjb s HIS 14 CO 0.00 -1.00 -0.26 -0.06 -0.85 0.00 0.00 174.74 172.58 1xjb s PHE 15 N -2.87 2.34 -0.12 1.40 0.40 -1.26 0.84 117.98 118.70 1xjb s PHE 15 Ca 0.58 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 56.51 1xjb s PHE 15 Cb -0.10 -1.47 0.01 0.00 0.51 0.00 0.00 43.02 41.97 1xjb s PHE 15 CO 0.40 0.02 -0.21 1.41 0.70 0.00 0.00 175.22 177.53 1xjb s MET 16 N -0.82 2.86 0.34 0.44 -2.45 0.27 -4.90 119.30 115.04 1xjb s MET 16 Ca 0.11 -0.80 -0.29 0.00 -1.25 0.00 0.00 55.69 53.46 1xjb s MET 16 Cb -0.10 -2.28 -0.11 0.00 1.25 0.00 0.00 34.83 33.60 1xjb s MET 16 CO 0.00 0.03 1.46 -2.14 1.05 0.00 0.00 175.02 175.43 1xjb s PRO 17 N 0.71 4.18 0.00 4.11 0.02 -1.26 -0.96 135.00 141.79 1xjb s PRO 17 Ca -0.11 2.47 0.29 0.00 0.02 0.00 0.00 61.00 63.68 1xjb s PRO 17 Cb -0.16 -3.01 1.22 0.00 0.02 0.00 0.00 34.50 32.57 1xjb s PRO 17 CO 0.01 -0.47 1.92 1.33 -0.33 0.00 0.00 177.00 179.46 1xjb n VAL 18 N 1.00 0.00 -4.16 3.83 0.24 -0.41 -4.58 118.33 114.25 1xjb n VAL 18 Ca 0.03 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.99 1xjb n VAL 18 Cb 0.40 -0.47 -0.16 0.00 -1.47 0.00 0.00 33.84 32.13 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 -2.99 2.27 0.06 1.34 2.96 -1.26 -1.49 118.68 119.57 1xjb s LEU 19 Ca 0.14 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1xjb s LEU 19 Cb 0.19 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1xjb s LEU 19 CO 0.53 0.01 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.71 1xjb s GLY 20 N 1.25 1.85 -0.24 7.98 0.00 -0.31 -3.98 107.32 113.87 1xjb s GLY 20 Ca 0.03 -1.10 -0.12 0.00 0.00 0.00 0.00 44.72 43.53 1xjb s GLY 20 CO -0.10 -1.04 0.24 -0.12 0.00 0.00 0.00 173.10 172.09 1xjb s PHE 21 N -1.19 3.31 0.27 1.90 5.36 0.80 -0.75 117.98 127.68 1xjb s PHE 21 Ca 0.22 0.32 -0.24 0.00 -0.96 0.00 0.00 56.93 56.28 1xjb s PHE 21 Cb -0.11 -2.37 -0.09 0.00 -0.34 0.00 0.00 43.02 40.11 1xjb s PHE 21 CO 0.14 -0.01 0.84 0.20 -1.46 0.00 0.00 175.22 174.93 1xjb s GLY 22 N 1.19 2.75 0.00 13.12 0.00 -0.53 -0.77 107.32 123.08 1xjb s GLY 22 Ca 0.11 0.37 0.01 0.00 0.00 0.00 0.00 44.72 45.20 1xjb s GLY 22 CO 0.07 0.78 0.66 -1.30 0.00 0.00 0.00 173.10 173.31 1xjb n THR 23 N 0.74 0.26 -2.65 0.90 -2.24 -1.01 -4.33 114.28 105.95 1xjb n THR 23 Ca -0.01 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.74 1xjb n THR 23 Cb 0.50 0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.32 3.81 0.01 4.78 5.04 -1.26 -4.98 117.35 124.43 1xjb s TYR 24 Ca 0.01 1.80 0.01 0.00 -2.44 0.00 0.00 57.07 56.46 1xjb s TYR 24 Cb 0.01 -3.10 -0.01 0.00 0.35 0.00 0.00 41.96 39.20 1xjb s TYR 24 CO 0.01 0.04 -0.05 0.00 -1.34 0.00 0.00 175.55 174.21 1xjb s ALA 25 N -0.83 0.39 0.87 3.97 0.00 -1.26 -4.99 121.76 119.91 1xjb s ALA 25 Ca 0.44 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 1xjb s ALA 25 Cb -0.27 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 22.89 1xjb s ALA 25 CO 0.34 0.02 0.78 -2.30 0.00 0.00 0.00 175.76 174.60 1xjb n PRO 26 N 2.34 -0.09 -0.20 0.00 -0.02 -1.26 -4.82 135.00 130.95 1xjb n PRO 26 Ca -0.17 0.03 0.14 0.00 -2.02 0.00 0.00 63.50 61.48 1xjb n PRO 26 Cb 0.57 -2.11 0.46 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.24 2.02 0.00 3.55 0.00 -2.00 0.03 119.26 121.62 1xjb h ALA 27 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xjb h ALA 27 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xjb h ALA 27 CO 0.40 -0.24 0.00 1.05 0.00 0.00 0.00 179.25 180.46 1xjb h GLU 28 N 0.51 0.00 -5.78 0.00 9.09 -2.03 -3.41 114.58 112.96 1xjb h GLU 28 Ca 0.39 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 59.22 1xjb h GLU 28 Cb 0.81 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.82 1xjb h GLU 28 CO -0.15 0.00 0.12 0.08 0.05 0.00 0.00 179.01 179.11 1xjb s VAL 29 N -3.46 5.03 0.37 -1.06 1.01 -0.00 -5.03 120.40 117.26 1xjb s VAL 29 Ca 0.01 1.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.97 1xjb s VAL 29 Cb 0.08 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 1xjb s VAL 29 CO 0.31 0.15 1.48 -2.65 0.00 0.00 0.00 175.10 174.39 1xjb n PRO 30 N 4.68 2.66 0.00 2.72 -0.02 -1.26 -4.87 135.00 138.90 1xjb n PRO 30 Ca -0.01 0.93 0.15 0.00 -2.02 0.00 0.00 63.50 62.55 1xjb n PRO 30 Cb 0.50 -2.66 0.60 0.00 -0.02 0.00 0.00 33.50 31.92 1xjb n PRO 30 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1xjb h LYS 31 N 2.96 0.18 -0.77 -0.52 1.79 -1.93 -2.25 116.57 116.03 1xjb h LYS 31 Ca -0.50 -0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.08 1xjb h LYS 31 Cb 1.24 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 1xjb h LYS 31 CO 0.64 0.12 0.51 0.66 -1.08 0.00 0.00 179.45 180.29 1xjb h SER 32 N 0.18 0.53 -0.11 0.86 4.64 -1.99 -1.91 113.55 115.75 1xjb h SER 32 Ca 0.23 0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.60 1xjb h SER 32 Cb 0.65 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1xjb h SER 32 CO -0.04 0.29 0.11 0.11 -0.87 0.00 0.00 176.83 176.44 1xjb h LYS 33 N 0.57 0.00 -0.29 4.77 1.79 -1.77 -1.67 116.57 119.97 1xjb h LYS 33 Ca 0.37 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.74 1xjb h LYS 33 Cb 0.64 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1xjb h LYS 33 CO -0.14 0.00 -0.22 0.00 -1.08 0.00 0.00 179.45 178.02 1xjb h ALA 34 N 1.88 1.08 0.53 3.86 0.00 -1.53 -1.87 119.26 123.21 1xjb h ALA 34 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1xjb h ALA 34 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xjb h ALA 34 CO -0.00 0.56 -0.28 1.25 0.00 0.00 0.00 179.25 180.78 1xjb h LEU 35 N 0.49 -0.69 -0.82 0.00 5.85 -1.44 -1.27 115.31 117.43 1xjb h LEU 35 Ca 0.08 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1xjb h LEU 35 Cb 0.64 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1xjb h LEU 35 CO 0.05 -0.47 -0.21 -0.08 -0.34 0.00 0.00 178.44 177.39 1xjb h GLU 36 N -0.75 0.65 0.17 1.25 4.57 -1.62 -2.36 114.58 116.49 1xjb h GLU 36 Ca -0.07 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1xjb h GLU 36 Cb 0.60 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1xjb h GLU 36 CO 0.09 0.81 -0.08 0.00 -1.18 0.00 0.00 179.01 178.66 1xjb h ALA 37 N 1.19 -0.23 -0.72 2.92 0.00 -1.17 -1.28 119.26 119.98 1xjb h ALA 37 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xjb h ALA 37 Cb 0.67 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1xjb h ALA 37 CO 0.05 -0.60 0.31 0.28 0.00 0.00 0.00 179.25 179.28 1xjb h VAL 38 N -0.28 1.24 -0.97 0.00 2.07 -1.14 0.92 116.25 118.09 1xjb h VAL 38 Ca -0.02 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1xjb h VAL 38 Cb 0.22 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1xjb h VAL 38 CO 0.04 0.30 0.64 0.11 0.02 0.00 0.00 177.57 178.68 1xjb h LYS 39 N 1.03 1.25 -0.15 1.57 1.57 -1.27 -0.51 116.57 120.06 1xjb h LYS 39 Ca 0.24 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.78 1xjb h LYS 39 Cb 0.17 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1xjb h LYS 39 CO -0.02 0.83 -0.61 -0.07 -0.57 0.00 0.00 179.45 179.00 1xjb h LEU 40 N 1.29 0.60 -0.59 2.94 3.38 -0.19 -1.59 115.31 121.14 1xjb h LEU 40 Ca 0.36 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xjb h LEU 40 Cb -0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1xjb h LEU 40 CO -0.09 1.06 0.32 0.00 0.09 0.00 0.00 178.44 179.82 1xjb h ALA 41 N 0.94 0.75 -0.45 1.53 0.00 -0.43 0.27 119.26 121.88 1xjb h ALA 41 Ca -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1xjb h ALA 41 Cb 1.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1xjb h ALA 41 CO 0.11 0.28 0.08 0.82 0.00 0.00 0.00 179.25 180.54 1xjb h ILE 42 N 0.80 1.24 -0.72 0.00 2.04 -0.91 -0.71 117.51 119.24 1xjb h ILE 42 Ca 0.21 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1xjb h ILE 42 Cb 0.06 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1xjb h ILE 42 CO -0.03 0.31 0.45 -0.33 0.00 0.00 0.00 178.15 178.55 1xjb h GLU 43 N 0.60 0.97 0.00 2.37 5.08 -0.84 -1.60 114.58 121.16 1xjb h GLU 43 Ca 0.14 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xjb h GLU 43 Cb 0.37 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xjb h GLU 43 CO 0.01 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 1xjb h ALA 44 N 1.24 1.00 0.00 3.43 0.00 -0.11 -3.47 119.26 121.36 1xjb h ALA 44 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1xjb h ALA 44 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xjb h ALA 44 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1xjb n GLY 45 N -0.28 1.22 3.75 0.00 0.00 -0.60 -4.93 105.19 104.35 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 3.56 0.00 1.61 0.40 -0.32 -4.89 117.98 116.34 1xjb s PHE 46 Ca 0.00 1.63 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 1xjb s PHE 46 Cb 0.00 -3.30 0.00 0.00 0.51 0.00 0.00 43.02 40.23 1xjb s PHE 46 CO 0.00 -0.65 0.20 0.72 0.70 0.00 0.00 175.22 176.19 1xjb n HIS 47 N 1.75 0.00 -5.08 0.36 8.25 -1.26 -4.34 115.22 114.88 1xjb n HIS 47 Ca 0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.15 1xjb n HIS 47 Cb 0.45 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.48 2.62 -0.09 4.41 5.65 -1.26 -0.06 115.29 126.08 1xjb s HIS 48 Ca 0.00 -0.99 0.01 0.00 0.25 0.00 0.00 55.06 54.33 1xjb s HIS 48 Cb 0.00 -1.75 0.02 0.00 -1.18 0.00 0.00 32.58 29.67 1xjb s HIS 48 CO 0.00 -0.39 -0.10 0.42 -0.65 0.00 0.00 174.74 174.02 1xjb s ILE 49 N 0.38 1.08 -0.24 0.89 -1.09 0.89 -0.14 121.20 122.97 1xjb s ILE 49 Ca -0.16 -0.37 -0.06 0.00 -2.23 0.00 0.00 60.65 57.82 1xjb s ILE 49 Cb -0.17 -1.05 -0.02 0.00 -1.58 0.00 0.00 42.46 39.64 1xjb s ILE 49 CO 0.08 0.36 0.03 -0.62 -1.23 0.00 0.00 174.94 173.56 1xjb s ASP 50 N 1.27 4.84 0.00 3.58 -1.08 0.05 -0.90 116.67 124.44 1xjb s ASP 50 Ca -0.03 -0.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 1xjb s ASP 50 Cb -0.14 -1.86 0.00 0.00 -1.46 0.00 0.00 42.92 39.46 1xjb s ASP 50 CO -0.04 -0.04 0.00 -0.24 0.52 0.00 0.00 175.17 175.38 1xjb n SER 51 N 4.88 0.28 -3.57 -0.34 2.88 0.22 -2.42 113.62 115.55 1xjb n SER 51 Ca -0.17 -0.64 -0.08 0.00 -1.33 0.00 0.00 58.87 56.65 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 -1.95 0.26 -1.46 0.00 -1.26 -3.90 121.76 111.45 1xjb s ALA 52 Ca 0.00 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.41 1xjb s ALA 52 Cb 0.00 -0.36 0.47 0.00 0.00 0.00 0.00 23.12 23.23 1xjb s ALA 52 CO 0.00 -0.46 1.82 1.25 0.00 0.00 0.00 175.76 178.36 1xjb h HIS 53 N 2.25 0.96 0.00 0.00 -0.00 -1.93 -2.28 115.15 114.15 1xjb h HIS 53 Ca -0.16 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1xjb h HIS 53 Cb 1.19 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 28.30 1xjb h HIS 53 CO 0.27 0.37 0.00 1.55 -0.00 0.00 0.00 177.93 180.12 1xjb n VAL 54 N -4.71 0.73 1.01 5.26 3.14 -1.26 -1.97 118.33 120.53 1xjb n VAL 54 Ca 0.16 0.16 0.13 0.00 -2.96 0.00 0.00 64.34 61.84 1xjb n VAL 54 Cb 0.32 -0.88 0.52 0.00 -1.06 0.00 0.00 33.84 32.74 1xjb n VAL 54 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1xjb n TYR 55 N -1.64 0.00 -3.68 1.45 4.01 -0.86 -4.93 117.16 111.51 1xjb n TYR 55 Ca 0.04 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.54 1xjb n TYR 55 Cb 0.23 -0.43 0.06 0.00 -0.31 0.00 0.00 39.34 38.89 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 -1.49 -4.60 0.00 7.72 5.15 -0.83 -4.83 115.26 116.37 1xjb n ASN 56 Ca 0.07 -0.66 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 1xjb n ASN 56 Cb 0.34 -4.59 0.00 0.00 -0.53 0.00 0.00 39.78 35.00 1xjb n ASN 56 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1xjb n ASN 57 N -2.99 0.00 0.06 1.20 0.23 -1.26 -4.89 115.26 107.61 1xjb n ASN 57 Ca -0.07 -1.00 0.10 0.00 -0.53 0.00 0.00 54.58 53.08 1xjb n ASN 57 Cb 0.58 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.83 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 0.26 -0.13 -3.83 5.08 -1.88 0.17 114.58 114.25 1xjb h GLU 58 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1xjb h GLU 58 Cb 0.80 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1xjb h GLU 58 CO 0.00 0.17 0.01 1.49 -1.00 0.00 0.00 179.01 179.68 1xjb h GLU 59 N 0.27 0.05 -0.26 2.33 4.81 -1.91 0.15 114.58 120.03 1xjb h GLU 59 Ca 0.15 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1xjb h GLU 59 Cb 0.27 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1xjb h GLU 59 CO -0.03 0.03 -0.15 1.96 -0.73 0.00 0.00 179.01 180.10 1xjb h GLN 60 N 0.05 0.56 -0.52 1.92 7.50 -1.54 -1.77 115.11 121.30 1xjb h GLN 60 Ca 0.06 -0.25 -0.11 0.00 0.50 0.00 0.00 58.65 58.85 1xjb h GLN 60 Cb 0.07 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.57 1xjb h GLN 60 CO -0.10 0.82 -0.11 0.28 -1.50 0.00 0.00 178.83 178.23 1xjb h VAL 61 N 0.28 1.27 -0.51 -0.54 2.07 -0.69 -1.45 116.25 116.68 1xjb h VAL 61 Ca 0.05 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1xjb h VAL 61 Cb 0.67 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1xjb h VAL 61 CO 0.04 0.44 0.24 1.23 0.02 0.00 0.00 177.57 179.54 1xjb h GLY 62 N 0.95 0.79 0.95 2.17 0.00 -0.67 -2.02 103.07 105.25 1xjb h GLY 62 Ca 0.14 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1xjb h GLY 62 CO 0.05 0.38 0.44 1.41 0.00 0.00 0.00 176.54 178.81 1xjb h LEU 63 N 0.68 0.74 0.07 3.11 3.38 -1.06 0.20 115.31 122.44 1xjb h LEU 63 Ca 0.17 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1xjb h LEU 63 Cb 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1xjb h LEU 63 CO -0.02 0.53 -0.21 0.00 0.09 0.00 0.00 178.44 178.83 1xjb h ALA 64 N 1.26 -0.32 0.11 1.53 0.00 -0.93 0.34 119.26 121.26 1xjb h ALA 64 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xjb h ALA 64 Cb -0.06 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xjb h ALA 64 CO -0.07 -0.72 -0.08 0.82 0.00 0.00 0.00 179.25 179.19 1xjb h ILE 65 N -0.37 0.81 -0.86 0.00 2.04 -0.93 -1.52 117.51 116.69 1xjb h ILE 65 Ca 0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 1xjb h ILE 65 Cb 0.41 0.81 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 1xjb h ILE 65 CO -0.14 0.00 0.47 0.03 0.00 0.00 0.00 178.15 178.51 1xjb h ARG 66 N -0.20 0.70 -0.52 2.37 3.08 -0.78 -1.48 114.38 117.55 1xjb h ARG 66 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1xjb h ARG 66 Cb 0.18 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1xjb h ARG 66 CO -0.01 0.46 0.32 1.03 -1.07 0.00 0.00 179.97 180.71 1xjb h SER 67 N 0.72 0.61 1.40 7.04 0.87 0.18 0.16 113.55 124.54 1xjb h SER 67 Ca 0.45 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 1xjb h SER 67 Cb 0.54 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1xjb h SER 67 CO -0.31 0.48 -0.05 0.11 -0.53 0.00 0.00 176.83 176.52 1xjb h LYS 68 N 0.70 0.00 0.00 2.24 1.79 -0.79 -1.91 116.57 118.60 1xjb h LYS 68 Ca 0.19 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1xjb h LYS 68 Cb -0.03 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1xjb h LYS 68 CO -0.04 0.05 -0.05 0.82 -1.08 0.00 0.00 179.45 179.16 1xjb h ILE 69 N 0.00 1.77 0.00 1.86 2.04 -0.74 -1.39 117.51 121.05 1xjb h ILE 69 Ca -0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 1xjb h ILE 69 Cb 0.76 3.36 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1xjb h ILE 69 CO 0.01 0.60 0.00 0.00 0.00 0.00 0.00 178.15 178.76 1xjb h ALA 70 N -0.01 1.00 -0.05 1.87 0.00 -0.64 -0.81 119.26 120.62 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 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xjb h ALA 70 CO -0.00 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 178.85 1xjb n ASP 71 N -2.85 2.46 0.00 0.00 5.68 -0.72 -4.94 116.55 116.17 1xjb n ASP 71 Ca -0.01 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1xjb n ASP 71 Cb 0.16 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1xjb n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xjb n GLY 72 N 1.29 0.55 0.17 6.12 0.00 -0.31 -4.93 105.19 108.08 1xjb n GLY 72 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1xjb n GLY 72 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xjb h SER 73 N 0.00 0.40 -5.08 1.61 0.02 -1.53 -3.46 113.55 105.50 1xjb h SER 73 Ca 0.00 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 1xjb h SER 73 Cb 0.00 -0.12 -0.16 0.00 0.14 0.00 0.00 62.40 62.26 1xjb h SER 73 CO 0.00 0.96 -0.29 0.54 -1.14 0.00 0.00 176.83 176.90 1xjb s VAL 74 N -3.67 0.10 0.27 2.27 0.11 -0.61 -5.03 120.40 113.84 1xjb s VAL 74 Ca -0.05 -0.83 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1xjb s VAL 74 Cb 0.11 -1.04 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1xjb s VAL 74 CO 0.82 -0.46 0.44 -0.54 -3.33 0.00 0.00 175.10 172.03 1xjb s LYS 75 N -2.97 3.47 0.33 1.54 1.02 -1.26 -4.13 119.74 117.73 1xjb s LYS 75 Ca -0.02 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.45 1xjb s LYS 75 Cb 0.01 -2.80 0.56 0.00 -0.52 0.00 0.00 37.83 35.08 1xjb s LYS 75 CO -0.06 0.32 1.94 -0.09 -0.92 0.00 0.00 175.35 176.54 1xjb h ARG 76 N 1.16 0.80 0.00 1.68 9.65 -1.96 -1.01 114.38 124.70 1xjb h ARG 76 Ca -0.50 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.28 1xjb h ARG 76 Cb 1.22 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1xjb h ARG 76 CO 0.62 0.61 0.00 -0.85 2.80 0.00 0.00 179.97 183.15 1xjb n GLU 77 N -4.37 0.05 -0.43 0.20 0.00 -1.26 -1.59 120.64 113.24 1xjb n GLU 77 Ca 0.05 0.32 0.10 0.00 0.00 0.00 0.00 57.16 57.62 1xjb n GLU 77 Cb 0.12 -1.60 0.30 0.00 0.00 0.00 0.00 31.44 30.27 1xjb n GLU 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xjb n ASP 78 N -1.69 4.09 -4.20 -1.84 8.00 -0.39 -4.85 116.55 115.67 1xjb n ASP 78 Ca 0.03 -2.22 -0.32 0.00 0.71 0.00 0.00 54.79 52.99 1xjb n ASP 78 Cb 0.17 -0.48 -0.17 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.42 2.01 -0.44 0.53 -1.09 -0.62 -4.72 121.20 115.45 1xjb s ILE 79 Ca 0.45 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.84 1xjb s ILE 79 Cb 0.26 -1.74 0.12 0.00 -1.58 0.00 0.00 42.46 39.52 1xjb s ILE 79 CO 0.26 0.55 0.25 0.12 -1.23 0.00 0.00 174.94 174.89 1xjb s PHE 80 N 0.40 3.54 -0.19 3.97 2.19 0.91 -4.91 117.98 123.89 1xjb s PHE 80 Ca -0.18 -2.30 -0.10 0.00 0.33 0.00 0.00 56.93 54.69 1xjb s PHE 80 Cb -0.18 -3.30 -0.05 0.00 -1.31 0.00 0.00 43.02 38.19 1xjb s PHE 80 CO 0.08 -0.97 0.12 -0.47 1.83 0.00 0.00 175.22 175.81 1xjb s TYR 81 N 1.14 3.40 -0.12 10.12 5.04 -1.26 -0.07 117.35 135.59 1xjb s TYR 81 Ca 0.08 0.31 0.02 0.00 -2.44 0.00 0.00 57.07 55.04 1xjb s TYR 81 Cb -0.23 -2.14 -0.00 0.00 0.35 0.00 0.00 41.96 39.93 1xjb s TYR 81 CO -0.03 0.29 -0.19 0.99 -1.34 0.00 0.00 175.55 175.27 1xjb s THR 82 N 0.30 2.44 0.52 4.34 2.01 -0.07 -0.30 115.64 124.88 1xjb s THR 82 Ca 0.08 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1xjb s THR 82 Cb -0.11 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1xjb s THR 82 CO -0.02 0.54 0.14 -0.55 -0.69 0.00 0.00 174.62 174.05 1xjb s SER 83 N 0.49 4.31 -0.03 3.53 0.15 -0.28 -0.61 113.70 121.25 1xjb s SER 83 Ca -0.13 -1.50 -0.02 0.00 0.70 0.00 0.00 55.95 55.00 1xjb s SER 83 Cb -0.17 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1xjb s SER 83 CO 0.05 -0.93 0.07 -0.54 1.20 0.00 0.00 173.24 173.10 1xjb s LYS 84 N -4.01 0.08 -0.21 5.44 1.02 -1.25 -1.88 119.74 118.92 1xjb s LYS 84 Ca 0.16 0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.97 1xjb s LYS 84 Cb 0.00 0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.32 1xjb s LYS 84 CO 0.10 -0.02 1.35 -1.17 -0.92 0.00 0.00 175.35 174.68 1xjb s LEU 85 N 0.12 4.05 0.54 3.17 2.96 0.21 -3.19 118.68 126.54 1xjb s LEU 85 Ca -0.01 1.55 -0.16 0.00 -0.22 0.00 0.00 54.13 55.29 1xjb s LEU 85 Cb -0.01 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.07 1xjb s LEU 85 CO -0.00 -0.95 1.01 0.86 -1.32 0.00 0.00 176.35 175.95 1xjb s TRP 86 N 4.05 3.37 -0.47 5.38 -0.11 -1.26 -1.91 118.94 127.99 1xjb s TRP 86 Ca 0.59 1.46 0.14 0.00 1.22 0.00 0.00 56.10 59.50 1xjb s TRP 86 Cb -0.21 -2.83 0.75 0.00 -1.50 0.00 0.00 33.47 29.68 1xjb s TRP 86 CO 0.20 -0.57 1.41 0.43 -4.62 0.00 0.00 176.95 173.81 1xjb n SER 87 N -1.82 0.36 -0.11 5.86 7.64 -1.26 -1.09 113.62 123.20 1xjb n SER 87 Ca 0.07 0.66 0.15 0.00 1.01 0.00 0.00 58.87 60.76 1xjb n SER 87 Cb 0.54 -0.70 0.69 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.98 0.39 -1.00 6.43 6.94 -1.26 -1.70 115.26 123.08 1xjb n ASN 88 Ca -0.01 -0.65 0.01 0.00 -0.02 0.00 0.00 54.58 53.91 1xjb n ASN 88 Cb 0.03 -0.09 0.15 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.93 2.08 0.12 0.53 7.64 -0.25 -3.90 113.62 118.92 1xjb n SER 89 Ca 0.16 -3.57 -0.03 0.00 1.01 0.00 0.00 58.87 56.45 1xjb n SER 89 Cb 0.25 -0.47 0.14 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.22 0.09 -2.57 1.43 3.86 -1.69 -3.29 115.15 114.20 1xjb h HIS 90 Ca 0.02 -0.04 -0.59 0.00 -1.16 0.00 0.00 60.37 58.61 1xjb h HIS 90 Cb 1.21 -0.01 0.08 0.00 1.06 0.00 0.00 27.41 29.75 1xjb h HIS 90 CO 0.69 0.68 0.63 0.54 0.86 0.00 0.00 177.93 181.32 1xjb n ARG 91 N -3.80 2.00 -0.23 2.45 1.74 -1.26 -4.31 116.66 113.25 1xjb n ARG 91 Ca -0.02 0.72 0.03 0.00 -0.77 0.00 0.00 57.85 57.81 1xjb n ARG 91 Cb 0.63 -2.38 0.15 0.00 -1.02 0.00 0.00 32.46 29.83 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 4.45 0.22 0.00 5.56 0.11 -1.85 0.33 132.00 140.82 1xjb h PRO 92 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xjb h PRO 92 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xjb h PRO 92 CO 0.78 0.15 0.00 1.05 -0.21 0.00 0.00 178.00 179.76 1xjb h GLU 93 N 0.23 0.00 0.00 1.05 9.09 -1.93 -2.30 114.58 120.71 1xjb h GLU 93 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 1xjb h GLU 93 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 1xjb h GLU 93 CO -0.49 0.00 -0.83 1.28 0.05 0.00 0.00 179.01 179.01 1xjb n LEU 94 N -2.37 0.80 0.37 3.06 4.77 0.12 -4.55 117.00 119.20 1xjb n LEU 94 Ca 0.01 -0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 55.54 1xjb n LEU 94 Cb 0.19 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1xjb n LEU 94 CO 0.18 0.20 0.39 0.58 -1.33 0.00 0.00 177.39 177.41 1xjb h VAL 95 N 0.00 0.01 -0.77 4.08 2.07 -1.29 -1.95 116.25 118.40 1xjb h VAL 95 Ca 0.00 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1xjb h VAL 95 Cb 0.51 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1xjb h VAL 95 CO 0.00 0.00 0.48 -0.09 0.02 0.00 0.00 177.57 177.98 1xjb h ARG 96 N -1.26 0.88 -0.45 1.57 2.43 -1.82 -1.23 114.38 114.50 1xjb h ARG 96 Ca -0.10 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1xjb h ARG 96 Cb 0.75 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1xjb h ARG 96 CO 0.16 0.58 0.31 -1.35 -1.51 0.00 0.00 179.97 178.16 1xjb h PRO 97 N 0.91 0.20 -0.13 0.20 0.11 -1.79 0.11 132.00 131.60 1xjb h PRO 97 Ca 0.32 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.30 1xjb h PRO 97 Cb 0.07 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1xjb h PRO 97 CO -0.13 0.13 -0.39 0.00 -0.21 0.00 0.00 178.00 177.40 1xjb h ALA 98 N 1.77 0.22 -0.09 -0.75 0.00 -0.44 -1.75 119.26 118.22 1xjb h ALA 98 Ca 0.21 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xjb h ALA 98 Cb 0.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xjb h ALA 98 CO -0.04 0.32 0.06 1.25 0.00 0.00 0.00 179.25 180.84 1xjb h LEU 99 N 0.10 0.11 -1.43 0.00 5.85 -0.52 -1.87 115.31 117.56 1xjb h LEU 99 Ca -0.01 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1xjb h LEU 99 Cb 1.01 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1xjb h LEU 99 CO 0.08 0.13 0.43 -0.33 -0.34 0.00 0.00 178.44 178.42 1xjb h GLU 100 N 0.08 0.71 -0.26 1.25 5.08 -0.80 -0.05 114.58 120.59 1xjb h GLU 100 Ca 0.03 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1xjb h GLU 100 Cb 0.04 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1xjb h GLU 100 CO -0.01 0.47 0.01 -0.09 -1.00 0.00 0.00 179.01 178.39 1xjb h ARG 101 N 0.73 0.46 -0.51 2.33 2.43 -1.02 -0.83 114.38 117.97 1xjb h ARG 101 Ca 0.27 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1xjb h ARG 101 Cb 0.14 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1xjb h ARG 101 CO -0.08 0.62 0.27 0.77 -1.51 0.00 0.00 179.97 180.04 1xjb h SER 102 N 0.24 0.65 -0.29 -3.80 0.02 -0.83 -1.66 113.55 107.90 1xjb h SER 102 Ca 0.08 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1xjb h SER 102 Cb 0.40 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1xjb h SER 102 CO 0.01 0.57 0.13 -0.07 -1.14 0.00 0.00 176.83 176.34 1xjb h LEU 103 N 0.68 0.43 -0.14 5.07 3.38 -0.80 0.76 115.31 124.69 1xjb h LEU 103 Ca 0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xjb h LEU 103 Cb 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1xjb h LEU 103 CO -0.03 0.40 -0.02 0.50 0.09 0.00 0.00 178.44 179.38 1xjb h LYS 104 N 0.48 0.26 -0.51 1.13 3.64 -0.69 0.53 116.57 121.41 1xjb h LYS 104 Ca 0.12 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1xjb h LYS 104 Cb 0.11 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1xjb h LYS 104 CO -0.01 0.52 0.32 -0.91 -2.27 0.00 0.00 179.45 177.10 1xjb h ASN 105 N -0.02 0.53 0.63 4.20 -0.26 -0.77 -2.90 115.58 116.99 1xjb h ASN 105 Ca 0.04 -0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.63 1xjb h ASN 105 Cb 0.42 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.54 1xjb h ASN 105 CO 0.01 0.38 -0.67 -0.07 -1.06 0.00 0.00 177.43 176.02 1xjb h LEU 106 N 0.64 0.03 -1.52 1.61 3.38 -0.66 -3.36 115.31 115.43 1xjb h LEU 106 Ca 0.20 -0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.81 1xjb h LEU 106 Cb -0.01 -0.01 0.16 0.00 0.09 0.00 0.00 40.66 40.89 1xjb h LEU 106 CO -0.07 0.69 -0.75 0.00 0.09 0.00 0.00 178.44 178.39 1xjb n GLN 107 N -3.76 -6.84 -4.45 1.13 1.13 0.18 -4.37 117.38 100.41 1xjb n GLN 107 Ca -0.01 0.84 -0.24 0.00 -1.94 0.00 0.00 57.00 55.65 1xjb n GLN 107 Cb 0.66 -5.86 -0.10 0.00 0.11 0.00 0.00 30.24 25.04 1xjb n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xjb s LEU 108 N -6.50 2.56 0.05 1.08 1.43 -1.08 -4.98 118.68 111.25 1xjb s LEU 108 Ca 0.10 -1.00 0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1xjb s LEU 108 Cb -0.04 -1.06 -0.18 0.00 0.03 0.00 0.00 46.19 44.94 1xjb s LEU 108 CO 0.73 0.03 0.93 0.44 0.23 0.00 0.00 176.35 178.70 1xjb h ASP 109 N 2.46 0.00 -5.09 2.29 3.45 -1.96 -3.44 116.42 114.12 1xjb h ASP 109 Ca -0.41 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 56.98 1xjb h ASP 109 Cb 1.25 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.88 1xjb h ASP 109 CO 0.58 0.86 -0.19 -0.72 -1.57 0.00 0.00 179.24 178.20 1xjb s TYR 110 N -2.73 -0.09 -0.00 4.55 -0.85 -1.26 -4.75 117.35 112.20 1xjb s TYR 110 Ca -0.02 -0.20 -0.01 0.00 -0.52 0.00 0.00 57.07 56.32 1xjb s TYR 110 Cb 0.09 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 1xjb s TYR 110 CO 0.81 -0.61 0.12 0.14 -1.52 0.00 0.00 175.55 174.49 1xjb s VAL 111 N -3.50 5.02 0.10 -3.49 -7.23 -0.05 -5.00 120.40 106.25 1xjb s VAL 111 Ca 0.01 -0.31 0.23 0.00 -1.81 0.00 0.00 61.98 60.10 1xjb s VAL 111 Cb 0.02 -3.32 0.23 0.00 0.56 0.00 0.00 36.38 33.86 1xjb s VAL 111 CO -0.10 0.33 1.79 0.44 -0.31 0.00 0.00 175.10 177.26 1xjb h ASP 112 N 3.95 0.00 -3.50 4.85 5.19 -0.97 -1.31 116.42 124.63 1xjb h ASP 112 Ca -0.49 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.81 1xjb h ASP 112 Cb 1.18 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.44 1xjb h ASP 112 CO 0.65 0.24 -0.26 -0.22 -3.12 0.00 0.00 179.24 176.53 1xjb s LEU 113 N -6.74 0.08 -0.10 1.55 2.96 -0.96 -1.34 118.68 114.14 1xjb s LEU 113 Ca 0.01 0.89 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 1xjb s LEU 113 Cb 0.10 1.42 0.01 0.00 0.50 0.00 0.00 46.19 48.22 1xjb s LEU 113 CO 0.64 -0.18 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.86 1xjb s TYR 114 N 0.90 2.03 0.16 5.38 5.04 -0.70 -1.13 117.35 129.03 1xjb s TYR 114 Ca -0.05 -0.87 0.09 0.00 -2.44 0.00 0.00 57.07 53.79 1xjb s TYR 114 Cb -0.06 -1.42 -0.04 0.00 0.35 0.00 0.00 41.96 40.79 1xjb s TYR 114 CO -0.07 -0.41 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.09 1xjb s LEU 115 N 0.70 2.87 -0.29 6.97 1.43 -0.79 -1.94 118.68 127.64 1xjb s LEU 115 Ca -0.12 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.11 1xjb s LEU 115 Cb -0.16 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1xjb s LEU 115 CO 0.03 0.13 1.11 -0.63 0.23 0.00 0.00 176.35 177.22 1xjb s ILE 116 N -1.50 4.49 0.07 -0.59 1.01 -0.78 0.63 121.20 124.54 1xjb s ILE 116 Ca 0.22 1.74 -0.17 0.00 0.00 0.00 0.00 60.65 62.44 1xjb s ILE 116 Cb -0.09 -4.33 -0.12 0.00 0.01 0.00 0.00 42.46 37.92 1xjb s ILE 116 CO 0.13 -0.39 1.36 -0.74 0.00 0.00 0.00 174.94 175.30 1xjb h HIS 117 N 8.09 0.71 -2.50 3.97 2.76 -1.65 -0.41 115.15 126.12 1xjb h HIS 117 Ca -0.21 -0.24 -0.09 0.00 -2.20 0.00 0.00 60.37 57.63 1xjb h HIS 117 Cb 1.07 -0.14 -0.24 0.00 1.55 0.00 0.00 27.41 29.65 1xjb h HIS 117 CO 0.82 0.96 -0.18 0.12 -1.30 0.00 0.00 177.93 178.34 1xjb s PHE 118 N -4.18 -0.65 -1.26 5.26 5.36 -1.26 -4.29 117.98 116.96 1xjb s PHE 118 Ca -0.13 1.44 0.19 0.00 -0.96 0.00 0.00 56.93 57.47 1xjb s PHE 118 Cb 0.07 0.29 0.92 0.00 -0.34 0.00 0.00 43.02 43.97 1xjb s PHE 118 CO 0.81 -0.34 1.61 -0.35 -1.46 0.00 0.00 175.22 175.49 1xjb n PRO 119 N 3.68 0.17 -3.43 10.12 -0.04 -1.26 -4.69 135.00 139.54 1xjb n PRO 119 Ca -0.19 0.13 -0.37 0.00 -0.04 0.00 0.00 63.50 63.03 1xjb n PRO 119 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.74 5.25 0.10 0.52 1.01 -1.26 -4.82 120.40 118.45 1xjb s VAL 120 Ca 0.15 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 1xjb s VAL 120 Cb 0.13 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1xjb s VAL 120 CO 0.32 0.34 0.39 -0.44 0.00 0.00 0.00 175.10 175.70 1xjb s SER 121 N 0.65 6.58 0.23 3.32 0.01 -1.26 -4.72 113.70 118.51 1xjb s SER 121 Ca 0.20 0.71 0.08 0.00 1.31 0.00 0.00 55.95 58.25 1xjb s SER 121 Cb -0.14 -2.14 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 1xjb s SER 121 CO 0.07 0.13 -0.12 0.68 0.41 0.00 0.00 173.24 174.41 1xjb s VAL 122 N -1.49 1.76 0.35 3.43 -7.23 -0.69 -1.46 120.40 115.07 1xjb s VAL 122 Ca 0.36 -2.20 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 1xjb s VAL 122 Cb -0.13 -2.17 -0.12 0.00 0.56 0.00 0.00 36.38 34.51 1xjb s VAL 122 CO 0.20 -0.50 1.33 0.29 -0.31 0.00 0.00 175.10 176.10 1xjb n LYS 123 N -0.45 2.23 -0.99 4.82 4.76 0.35 -4.17 118.16 124.70 1xjb n LYS 123 Ca -0.07 0.78 -0.33 0.00 -2.87 0.00 0.00 58.31 55.82 1xjb n LYS 123 Cb 0.61 -2.39 0.14 0.00 -1.84 0.00 0.00 35.03 31.55 1xjb n LYS 123 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1xjb n PRO 124 N 0.53 0.01 0.00 1.97 -0.02 -1.25 -4.73 135.00 131.51 1xjb n PRO 124 Ca 0.04 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1xjb n PRO 124 Cb 0.37 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1xjb n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xjb n GLY 125 N 0.48 1.24 0.28 -1.23 0.00 -1.26 -4.94 105.19 99.76 1xjb n GLY 125 Ca 0.13 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 1xjb n GLY 125 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xjb h GLU 126 N 0.00 0.93 -6.53 1.61 5.08 -1.97 -3.44 114.58 110.27 1xjb h GLU 126 Ca 0.00 -0.37 -0.53 0.00 -1.00 0.00 0.00 59.36 57.46 1xjb h GLU 126 Cb 0.00 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.23 1xjb h GLU 126 CO 0.00 1.02 0.86 -1.21 -1.00 0.00 0.00 179.01 178.69 1xjb s GLU 127 N -4.72 4.25 0.14 2.33 8.01 -1.26 -4.91 118.70 122.54 1xjb s GLU 127 Ca -0.11 2.23 -0.11 0.00 0.01 0.00 0.00 54.97 57.00 1xjb s GLU 127 Cb 0.13 -3.33 -0.05 0.00 -4.31 0.00 0.00 34.13 26.56 1xjb s GLU 127 CO 0.86 -0.59 1.44 -0.39 0.01 0.00 0.00 175.26 176.59 1xjb h VAL 128 N 4.37 1.27 -3.11 2.63 -1.51 -1.95 -3.35 116.25 114.61 1xjb h VAL 128 Ca -0.42 -1.66 -0.62 0.00 -1.23 0.00 0.00 66.70 62.77 1xjb h VAL 128 Cb 1.20 1.53 -0.42 0.00 -2.13 0.00 0.00 31.29 31.48 1xjb h VAL 128 CO 0.90 0.55 -0.58 -0.63 -1.23 0.00 0.00 177.57 176.58 1xjb s ILE 129 N -4.23 2.82 0.11 7.19 1.01 -1.26 -4.65 121.20 122.19 1xjb s ILE 129 Ca -0.11 -4.15 -0.31 0.00 0.00 0.00 0.00 60.65 56.09 1xjb s ILE 129 Cb 0.11 -2.87 -0.08 0.00 0.01 0.00 0.00 42.46 39.63 1xjb s ILE 129 CO 0.88 -0.99 1.43 -2.16 0.00 0.00 0.00 174.94 174.11 1xjb s PRO 130 N -1.30 4.29 0.08 2.79 0.04 -1.26 -4.95 135.00 134.69 1xjb s PRO 130 Ca 0.24 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.47 1xjb s PRO 130 Cb -0.07 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1xjb s PRO 130 CO -0.15 -0.49 -0.19 0.15 0.04 0.00 0.00 177.00 176.36 1xjb s LYS 131 N 1.32 1.12 0.21 4.56 1.02 -1.26 0.02 119.74 126.72 1xjb s LYS 131 Ca 0.66 -1.04 -0.03 0.00 0.02 0.00 0.00 55.97 55.57 1xjb s LYS 131 Cb -0.37 -1.29 0.05 0.00 -0.52 0.00 0.00 37.83 35.69 1xjb s LYS 131 CO 0.30 0.31 0.28 -0.40 -0.92 0.00 0.00 175.35 174.92 1xjb n ASP 132 N 1.37 0.04 0.21 2.83 5.68 0.40 -4.85 116.55 122.22 1xjb n ASP 132 Ca -0.19 -1.11 0.15 0.00 -0.50 0.00 0.00 54.79 53.14 1xjb n ASP 132 Cb 0.54 -0.22 0.62 0.00 -1.14 0.00 0.00 41.12 40.92 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 -0.67 0.11 4.11 -2.02 -1.80 114.58 114.32 1xjb h GLU 133 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1xjb h GLU 133 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xjb h GLU 133 CO 0.07 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.24 1xjb n ASN 134 N -2.68 4.37 0.00 3.06 5.03 -1.26 -4.97 115.26 118.82 1xjb n ASN 134 Ca 0.01 -2.32 0.00 0.00 0.87 0.00 0.00 54.58 53.14 1xjb n ASN 134 Cb 0.25 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 1xjb n ASN 134 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xjb n GLY 135 N 1.23 0.45 3.72 7.41 0.00 -0.68 -5.01 105.19 112.31 1xjb n GLY 135 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.29 4.55 0.31 1.61 1.02 -1.26 -4.75 119.74 120.94 1xjb s LYS 136 Ca 0.00 1.27 -0.29 0.00 0.02 0.00 0.00 55.97 56.97 1xjb s LYS 136 Cb 0.00 -3.43 -0.11 0.00 -0.52 0.00 0.00 37.83 33.78 1xjb s LYS 136 CO 0.00 0.07 1.45 0.42 -0.92 0.00 0.00 175.35 176.37 1xjb s ILE 137 N 0.62 2.39 -0.84 2.17 1.01 -1.26 -0.45 121.20 124.84 1xjb s ILE 137 Ca 0.46 0.36 -0.16 0.00 0.00 0.00 0.00 60.65 61.31 1xjb s ILE 137 Cb -0.21 -3.23 0.17 0.00 0.01 0.00 0.00 42.46 39.21 1xjb s ILE 137 CO 0.26 0.07 0.89 -0.76 0.00 0.00 0.00 174.94 175.40 1xjb s LEU 138 N -1.21 6.00 0.52 2.97 1.43 0.10 -4.86 118.68 123.63 1xjb s LEU 138 Ca 0.56 -2.33 -0.20 0.00 -1.03 0.00 0.00 54.13 51.13 1xjb s LEU 138 Cb -0.44 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.43 1xjb s LEU 138 CO 0.52 -0.81 1.11 -0.36 0.23 0.00 0.00 176.35 177.04 1xjb s PHE 139 N 1.34 2.76 0.22 0.29 0.08 -1.26 -0.50 117.98 120.92 1xjb s PHE 139 Ca 0.23 1.55 0.11 0.00 0.12 0.00 0.00 56.93 58.93 1xjb s PHE 139 Cb -0.10 -3.25 -0.05 0.00 -0.57 0.00 0.00 43.02 39.06 1xjb s PHE 139 CO -0.08 -1.40 -0.20 0.34 -0.10 0.00 0.00 175.22 173.78 1xjb s ASP 140 N -1.78 3.26 -0.28 1.36 2.15 -0.54 -4.51 116.67 116.34 1xjb s ASP 140 Ca 0.71 -0.95 -0.05 0.00 0.43 0.00 0.00 52.55 52.69 1xjb s ASP 140 Cb -0.23 -0.24 0.01 0.00 -0.30 0.00 0.00 42.92 42.17 1xjb s ASP 140 CO 0.26 0.03 0.04 -0.89 -0.17 0.00 0.00 175.17 174.44 1xjb s THR 141 N -2.21 3.67 -0.01 1.71 2.01 -1.26 -4.40 115.64 115.15 1xjb s THR 141 Ca 0.24 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1xjb s THR 141 Cb -0.06 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.57 1xjb s THR 141 CO 0.11 0.11 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.44 1xjb s VAL 142 N 1.45 0.24 -0.55 3.82 1.01 -1.26 -5.07 120.40 120.05 1xjb s VAL 142 Ca 0.02 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.64 1xjb s VAL 142 Cb -0.17 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1xjb s VAL 142 CO 0.01 0.09 1.39 -0.62 0.00 0.00 0.00 175.10 175.97 1xjb s ASP 143 N 0.21 6.18 0.58 3.32 2.15 -1.26 -4.88 116.67 122.97 1xjb s ASP 143 Ca -0.02 0.32 0.28 0.00 0.43 0.00 0.00 52.55 53.57 1xjb s ASP 143 Cb -0.05 -2.55 1.76 0.00 -0.30 0.00 0.00 42.92 41.78 1xjb s ASP 143 CO -0.00 -1.66 2.22 -0.07 -0.17 0.00 0.00 175.17 175.48 1xjb h LEU 144 N 12.91 0.00 -1.00 -1.34 3.38 -1.95 0.25 115.31 127.55 1xjb h LEU 144 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xjb h LEU 144 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1xjb h LEU 144 CO 1.17 0.00 0.57 0.00 0.09 0.00 0.00 178.44 180.27 1xjb h ALA 146 N 1.35 0.37 -0.57 0.00 0.00 -0.94 -1.76 119.26 117.71 1xjb h ALA 146 Ca 0.33 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1xjb h ALA 146 Cb -0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 1xjb h ALA 146 CO -0.06 0.26 0.15 1.15 0.00 0.00 0.00 179.25 180.75 1xjb h THR 147 N 0.29 0.70 -0.52 0.00 2.02 -0.92 -1.37 112.91 113.12 1xjb h THR 147 Ca 0.06 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1xjb h THR 147 Cb 0.67 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1xjb h THR 147 CO 0.04 0.05 0.26 -0.25 0.37 0.00 0.00 175.52 175.99 1xjb h TRP 148 N 0.30 0.75 -0.77 3.16 2.91 -0.57 -1.12 115.95 120.61 1xjb h TRP 148 Ca 0.29 -0.03 0.14 0.00 1.13 0.00 0.00 58.89 60.42 1xjb h TRP 148 Cb 0.40 -0.23 -0.10 0.00 -0.51 0.00 0.00 29.16 28.72 1xjb h TRP 148 CO -0.22 0.58 0.32 0.93 -1.03 0.00 0.00 178.44 179.02 1xjb h GLU 149 N 0.70 0.45 -0.40 2.65 5.08 -0.74 0.28 114.58 122.59 1xjb h GLU 149 Ca 0.18 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1xjb h GLU 149 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1xjb h GLU 149 CO -0.02 0.30 0.14 0.00 -1.00 0.00 0.00 179.01 178.43 1xjb h ALA 150 N 1.55 1.49 -0.15 3.43 0.00 -0.66 -1.71 119.26 123.21 1xjb h ALA 150 Ca 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1xjb h ALA 150 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xjb h ALA 150 CO -0.40 0.39 0.02 0.52 0.00 0.00 0.00 179.25 179.77 1xjb h MET 151 N 0.57 0.25 -0.78 0.00 2.86 0.23 -2.46 114.93 115.61 1xjb h MET 151 Ca 0.14 -0.07 0.12 0.00 -2.06 0.00 0.00 59.70 57.82 1xjb h MET 151 Cb 0.15 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.70 1xjb h MET 151 CO -0.01 0.45 0.39 0.93 1.06 0.00 0.00 176.91 179.73 1xjb h GLU 152 N 0.02 0.60 -0.31 1.72 5.08 -0.12 0.11 114.58 121.68 1xjb h GLU 152 Ca 0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1xjb h GLU 152 Cb 0.32 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1xjb h GLU 152 CO 0.00 0.40 0.02 0.87 -1.00 0.00 0.00 179.01 179.30 1xjb h LYS 153 N 0.62 0.46 -0.13 2.33 1.57 -1.25 -1.09 116.57 119.08 1xjb h LYS 153 Ca 0.40 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 1xjb h LYS 153 Cb 0.49 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1xjb h LYS 153 CO -0.31 0.48 -0.18 0.00 -0.57 0.00 0.00 179.45 178.87 1xjb h LYS 155 N 0.21 0.15 -0.58 0.00 3.64 -0.78 -2.42 116.57 116.79 1xjb h LYS 155 Ca 0.04 -0.17 0.17 0.00 -1.27 0.00 0.00 60.65 59.42 1xjb h LYS 155 Cb 0.44 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1xjb h LYS 155 CO 0.03 0.92 0.42 -0.44 -2.27 0.00 0.00 179.45 178.11 1xjb h ASP 156 N -0.55 0.00 0.65 4.20 3.32 -1.10 0.35 116.42 123.29 1xjb h ASP 156 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1xjb h ASP 156 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1xjb h ASP 156 CO 0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1xjb n ALA 157 N -2.65 2.42 -0.57 3.45 0.00 -0.42 -4.92 120.51 117.82 1xjb n ALA 157 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xjb n ALA 157 Cb 0.65 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.28 1.70 0.27 0.00 0.00 0.12 -4.91 105.19 103.65 1xjb n GLY 158 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 0.58 -8.06 0.99 3.38 -1.64 -3.42 115.31 107.14 1xjb h LEU 159 Ca 0.00 -0.15 -0.59 0.00 0.09 0.00 0.00 57.88 57.24 1xjb h LEU 159 Cb 0.00 -0.15 -0.34 0.00 0.09 0.00 0.00 40.66 40.26 1xjb h LEU 159 CO 0.00 0.70 -0.84 0.00 0.09 0.00 0.00 178.44 178.40 1xjb s ALA 160 N -4.82 1.68 0.12 1.53 0.00 -1.14 -0.87 121.76 118.26 1xjb s ALA 160 Ca -0.08 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.05 1xjb s ALA 160 Cb 0.15 -0.76 -0.07 0.00 0.00 0.00 0.00 23.12 22.43 1xjb s ALA 160 CO 0.79 0.04 1.44 0.87 0.00 0.00 0.00 175.76 178.90 1xjb h LYS 161 N 7.18 0.81 -5.08 0.00 1.79 -1.29 -3.37 116.57 116.60 1xjb h LYS 161 Ca -0.29 -0.43 -0.33 0.00 -2.18 0.00 0.00 60.65 57.42 1xjb h LYS 161 Cb 1.19 0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 31.70 1xjb h LYS 161 CO 0.48 1.06 -0.72 -1.12 -1.08 0.00 0.00 179.45 178.08 1xjb s SER 162 N -6.68 1.78 0.04 0.86 0.01 -0.45 -5.00 113.70 104.25 1xjb s SER 162 Ca -0.12 -0.98 0.03 0.00 1.31 0.00 0.00 55.95 56.18 1xjb s SER 162 Cb 0.10 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 1xjb s SER 162 CO 0.85 -0.31 -0.08 0.27 0.41 0.00 0.00 173.24 174.38 1xjb s ILE 163 N -3.18 0.60 0.00 1.44 -4.36 -1.26 -1.73 121.20 112.71 1xjb s ILE 163 Ca 0.15 -0.95 0.00 0.00 -0.26 0.00 0.00 60.65 59.59 1xjb s ILE 163 Cb 0.02 -0.63 0.00 0.00 1.25 0.00 0.00 42.46 43.10 1xjb s ILE 163 CO 0.01 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.54 1xjb n GLY 164 N 1.73 2.90 3.37 6.27 0.00 -0.82 -1.23 105.19 117.41 1xjb n GLY 164 Ca -0.21 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.63 0.52 -0.06 1.61 -7.23 -0.83 -1.86 120.40 109.92 1xjb s VAL 165 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1xjb s VAL 165 Cb 0.00 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1xjb s VAL 165 CO 0.00 0.00 0.23 -0.55 -0.31 0.00 0.00 175.10 174.47 1xjb s SER 166 N -3.41 -0.19 -1.82 4.85 0.15 -0.16 -1.31 113.70 111.80 1xjb s SER 166 Ca 0.34 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1xjb s SER 166 Cb 0.06 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1xjb s SER 166 CO 0.16 -0.19 0.00 0.59 1.20 0.00 0.00 173.24 175.00 1xjb n ASN 167 N 2.43 -5.90 -4.87 5.45 5.03 0.00 -4.05 115.26 113.37 1xjb n ASN 167 Ca -0.16 0.02 -0.35 0.00 0.87 0.00 0.00 54.58 54.96 1xjb n ASN 167 Cb 0.57 -4.93 -0.05 0.00 -1.02 0.00 0.00 39.78 34.35 1xjb n ASN 167 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1xjb s PHE 168 N -3.02 3.59 0.51 3.10 0.40 -1.26 -4.49 117.98 116.80 1xjb s PHE 168 Ca 0.00 0.79 0.07 0.00 -0.60 0.00 0.00 56.93 57.19 1xjb s PHE 168 Cb 0.00 -2.16 0.07 0.00 0.51 0.00 0.00 43.02 41.44 1xjb s PHE 168 CO 0.00 0.52 0.58 0.27 0.70 0.00 0.00 175.22 177.29 1xjb n ASN 169 N 0.94 2.17 -0.21 1.36 0.23 -1.26 -4.90 115.26 113.59 1xjb n ASN 169 Ca -0.08 -2.51 -0.00 0.00 -0.53 0.00 0.00 54.58 51.45 1xjb n ASN 169 Cb 0.52 -0.24 0.07 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.32 -0.30 -0.38 -2.53 -0.00 -0.99 -0.55 115.15 110.72 1xjb h HIS 170 Ca -0.27 0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.10 1xjb h HIS 170 Cb 1.13 0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.76 1xjb h HIS 170 CO 0.00 -0.26 0.03 -0.09 -0.00 0.00 0.00 177.93 177.60 1xjb h ARG 171 N 0.01 0.65 -0.56 5.26 2.43 -1.96 0.25 114.38 120.47 1xjb h ARG 171 Ca 0.31 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1xjb h ARG 171 Cb 0.48 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1xjb h ARG 171 CO -0.64 0.73 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.42 1xjb h LEU 172 N 0.48 1.02 -0.09 3.80 3.38 -1.83 -0.32 115.31 121.74 1xjb h LEU 172 Ca 0.11 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1xjb h LEU 172 Cb 0.42 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1xjb h LEU 172 CO 0.01 1.12 -0.09 -0.07 0.09 0.00 0.00 178.44 179.50 1xjb h LEU 173 N 0.91 -0.27 -1.03 1.67 3.38 -0.86 -2.04 115.31 117.07 1xjb h LEU 173 Ca 0.15 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1xjb h LEU 173 Cb 0.63 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1xjb h LEU 173 CO 0.04 -0.12 0.65 -0.33 0.09 0.00 0.00 178.44 178.77 1xjb h GLU 174 N -0.11 1.25 -0.32 1.13 4.39 -0.74 -0.21 114.58 119.98 1xjb h GLU 174 Ca 0.07 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.76 1xjb h GLU 174 Cb 0.20 -0.28 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 1xjb h GLU 174 CO -0.16 0.83 -0.10 1.98 -1.16 0.00 0.00 179.01 180.40 1xjb h MET 175 N 1.29 -0.03 -0.14 2.33 4.05 -0.78 0.31 114.93 121.95 1xjb h MET 175 Ca 0.38 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.78 1xjb h MET 175 Cb -0.06 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1xjb h MET 175 CO -0.11 -0.02 -0.01 0.82 0.23 0.00 0.00 176.91 177.82 1xjb h ILE 176 N -0.03 1.27 -0.31 1.77 1.08 -0.64 -2.89 117.51 117.76 1xjb h ILE 176 Ca 0.16 -0.89 -0.06 0.00 -0.39 0.00 0.00 64.86 63.68 1xjb h ILE 176 Cb 0.27 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 1xjb h ILE 176 CO -0.34 0.26 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.22 1xjb h LEU 177 N -0.02 0.48 -1.84 1.44 3.38 -0.61 -2.61 115.31 115.53 1xjb h LEU 177 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xjb h LEU 177 Cb 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xjb h LEU 177 CO 0.01 0.61 0.00 0.59 0.09 0.00 0.00 178.44 179.74 1xjb n ASN 178 N -4.23 2.71 -4.72 -0.43 5.03 0.10 -4.94 115.26 108.79 1xjb n ASN 178 Ca 0.01 -1.94 -0.42 0.00 0.87 0.00 0.00 54.58 53.10 1xjb n ASN 178 Cb 0.30 -0.28 -0.03 0.00 -1.02 0.00 0.00 39.78 38.74 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 -1.43 4.22 0.27 3.52 2.20 -0.99 -4.97 119.74 122.56 1xjb s LYS 179 Ca 0.35 2.34 -0.30 0.00 -0.36 0.00 0.00 55.97 58.00 1xjb s LYS 179 Cb 0.19 -3.20 -0.11 0.00 -1.51 0.00 0.00 37.83 33.20 1xjb s LYS 179 CO 0.26 -0.61 1.63 -2.14 -0.36 0.00 0.00 175.35 174.13 1xjb s PRO 180 N 1.26 4.12 0.00 4.03 0.02 -1.26 -2.21 135.00 140.96 1xjb s PRO 180 Ca 0.70 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.31 1xjb s PRO 180 Cb -0.43 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1xjb s PRO 180 CO 0.31 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1xjb n GLY 181 N 2.66 0.72 3.67 0.52 0.00 -1.26 -4.96 105.19 106.53 1xjb n GLY 181 Ca 0.10 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.96 -0.13 0.99 7.94 -0.94 -4.90 117.00 122.93 1xjb n LEU 182 Ca 0.00 1.05 -0.27 0.00 -1.11 0.00 0.00 56.01 55.68 1xjb n LEU 182 Cb 0.00 -1.35 -0.11 0.00 0.53 0.00 0.00 43.42 42.49 1xjb n LEU 182 CO 0.00 -0.32 -1.22 1.17 -1.11 0.00 0.00 177.39 175.91 1xjb n LYS 183 N 4.54 0.60 -4.15 1.96 4.81 -1.26 -4.95 118.16 119.71 1xjb n LYS 183 Ca 0.20 0.32 -0.28 0.00 -0.87 0.00 0.00 58.31 57.68 1xjb n LYS 183 Cb 0.26 -1.56 -0.17 0.00 0.02 0.00 0.00 35.03 33.59 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 1.76 0.69 5.64 2.02 -1.26 -5.13 117.35 118.60 1xjb s TYR 184 Ca -0.36 -0.88 -0.15 0.00 -0.37 0.00 0.00 57.07 55.32 1xjb s TYR 184 Cb 0.12 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.35 1xjb s TYR 184 CO 0.53 -0.51 1.14 0.15 -1.57 0.00 0.00 175.55 175.29 1xjb s LYS 185 N 1.35 2.51 0.29 -0.62 1.02 -1.26 -4.98 119.74 118.05 1xjb s LYS 185 Ca -0.00 1.52 -0.29 0.00 0.02 0.00 0.00 55.97 57.21 1xjb s LYS 185 Cb -0.14 -1.90 -0.10 0.00 -0.52 0.00 0.00 37.83 35.17 1xjb s LYS 185 CO -0.06 -1.50 1.26 -1.25 -0.92 0.00 0.00 175.35 172.88 1xjb s PRO 186 N -4.06 4.42 0.19 -1.68 0.04 -1.26 -4.86 135.00 127.79 1xjb s PRO 186 Ca 0.69 2.10 0.25 0.00 0.04 0.00 0.00 61.00 64.08 1xjb s PRO 186 Cb -0.23 -3.12 0.66 0.00 0.04 0.00 0.00 34.50 31.85 1xjb s PRO 186 CO 0.43 -0.11 1.64 1.33 0.04 0.00 0.00 177.00 180.33 1xjb n VAL 187 N 1.27 0.54 -3.88 -0.36 0.24 -0.37 -4.78 118.33 111.00 1xjb n VAL 187 Ca 0.01 -0.29 -0.08 0.00 -2.04 0.00 0.00 64.34 61.94 1xjb n VAL 187 Cb 0.43 -0.45 -0.01 0.00 -1.47 0.00 0.00 33.84 32.33 1xjb n VAL 187 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xjb s ASN 189 N -2.99 2.39 -0.25 0.00 2.47 -0.52 -1.98 114.94 114.07 1xjb s ASN 189 Ca 0.15 -0.89 -0.27 0.00 0.42 0.00 0.00 52.86 52.27 1xjb s ASN 189 Cb -0.05 0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.88 1xjb s ASN 189 CO 0.09 -0.40 0.94 -1.58 -3.72 0.00 0.00 177.10 172.43 1xjb s GLN 190 N 2.25 4.18 0.10 0.43 0.74 -0.42 -2.14 119.66 124.79 1xjb s GLN 190 Ca 0.09 1.09 -0.05 0.00 0.05 0.00 0.00 55.36 56.54 1xjb s GLN 190 Cb -0.15 -3.66 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 1xjb s GLN 190 CO -0.31 -0.62 0.12 0.14 -0.55 0.00 0.00 175.29 174.07 1xjb s VAL 191 N 3.09 0.14 0.29 1.34 -7.23 -0.03 -0.82 120.40 117.18 1xjb s VAL 191 Ca 0.39 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1xjb s VAL 191 Cb -0.15 -1.65 -0.11 0.00 0.56 0.00 0.00 36.38 35.04 1xjb s VAL 191 CO 0.08 -0.63 1.51 -0.70 -0.31 0.00 0.00 175.10 175.05 1xjb s GLU 192 N -3.94 4.18 -0.28 4.82 2.12 -1.26 -1.06 118.70 123.28 1xjb s GLU 192 Ca 0.12 2.46 -0.17 0.00 0.36 0.00 0.00 54.97 57.75 1xjb s GLU 192 Cb 0.06 -3.05 0.11 0.00 0.26 0.00 0.00 34.13 31.51 1xjb s GLU 192 CO -0.06 -0.52 0.82 0.00 -0.54 0.00 0.00 175.26 174.96 1xjb s HIS 194 N 1.43 -0.11 -0.06 0.00 -3.43 -0.95 -3.89 115.29 108.27 1xjb s HIS 194 Ca -0.09 -0.00 0.20 0.00 -0.80 0.00 0.00 55.06 54.37 1xjb s HIS 194 Cb -0.04 0.55 1.07 0.00 -1.43 0.00 0.00 32.58 32.72 1xjb s HIS 194 CO -0.17 -0.34 1.57 -1.35 -2.00 0.00 0.00 174.74 172.45 1xjb h PRO 195 N 2.00 0.00 -0.01 -0.38 0.11 -1.90 0.21 132.00 132.04 1xjb h PRO 195 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1xjb h PRO 195 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xjb h PRO 195 CO 0.26 0.00 -0.45 0.66 -0.21 0.00 0.00 178.00 178.26 1xjb n TYR 196 N -2.23 0.00 -2.81 0.65 4.01 -1.26 -2.17 117.16 113.34 1xjb n TYR 196 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 1xjb n TYR 196 Cb 0.15 -0.08 0.02 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.66 -3.25 1.90 -0.72 -0.00 0.64 -1.77 117.46 113.60 1xjb n PHE 197 Ca 0.09 -1.79 0.15 0.00 -0.00 0.00 0.00 57.45 55.91 1xjb n PHE 197 Cb 0.38 1.36 0.83 0.00 -0.00 0.00 0.00 39.48 42.05 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 2.19 0.30 -2.35 -2.13 0.23 -0.53 -2.25 115.26 110.72 1xjb n ASN 198 Ca 0.14 -1.13 -0.14 0.00 -0.53 0.00 0.00 54.58 52.91 1xjb n ASN 198 Cb 0.59 -0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.28 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 -0.75 -2.03 -0.31 -3.83 1.13 -1.26 -4.80 117.38 105.53 1xjb n GLN 199 Ca 0.22 0.71 -0.00 0.00 -1.94 0.00 0.00 57.00 55.99 1xjb n GLN 199 Cb 0.15 -5.30 0.06 0.00 0.11 0.00 0.00 30.24 25.26 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 -0.04 -0.29 -1.09 1.12 -1.99 0.34 114.38 112.43 1xjb h ARG 200 Ca -0.34 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.51 1xjb h ARG 200 Cb 1.23 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.19 1xjb h ARG 200 CO 0.41 -0.03 0.08 0.87 -3.11 0.00 0.00 179.97 178.19 1xjb h LYS 201 N -0.04 0.45 -0.33 0.20 1.57 -1.99 -1.29 116.57 115.13 1xjb h LYS 201 Ca 0.34 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1xjb h LYS 201 Cb 0.60 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1xjb h LYS 201 CO -0.88 0.51 -0.33 1.25 -0.57 0.00 0.00 179.45 179.43 1xjb h LEU 202 N 0.30 0.76 0.16 2.94 5.85 -1.79 -1.70 115.31 121.83 1xjb h LEU 202 Ca 0.09 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1xjb h LEU 202 Cb 0.26 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1xjb h LEU 202 CO -0.00 1.02 -0.19 0.25 -0.34 0.00 0.00 178.44 179.18 1xjb h LEU 203 N 0.61 -0.52 -0.49 2.25 5.85 0.09 -1.07 115.31 122.03 1xjb h LEU 203 Ca 0.07 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1xjb h LEU 203 Cb 0.85 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1xjb h LEU 203 CO 0.07 -0.28 0.17 0.44 -0.34 0.00 0.00 178.44 178.50 1xjb h ASP 204 N -0.40 0.16 -0.08 1.25 3.32 -1.13 -1.03 116.42 118.52 1xjb h ASP 204 Ca 0.01 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1xjb h ASP 204 Cb 0.39 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 1xjb h ASP 204 CO -0.07 0.12 -0.22 0.15 -1.72 0.00 0.00 179.24 177.50 1xjb h PHE 205 N 0.34 -0.58 -0.40 4.55 3.57 -0.96 -0.80 116.94 122.66 1xjb h PHE 205 Ca 0.24 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.83 1xjb h PHE 205 Cb 0.25 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 1xjb h PHE 205 CO -0.17 -0.30 0.02 0.00 -2.23 0.00 0.00 178.31 175.63 1xjb h LYS 207 N 0.13 1.09 0.00 0.00 1.57 -0.77 0.84 116.57 119.42 1xjb h LYS 207 Ca 0.20 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1xjb h LYS 207 Cb 0.27 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1xjb h LYS 207 CO -0.31 0.72 0.00 -1.13 -0.57 0.00 0.00 179.45 178.16 1xjb n SER 208 N -4.54 0.28 -0.19 0.86 3.41 -0.34 -0.56 113.62 112.54 1xjb n SER 208 Ca 0.15 0.58 0.02 0.00 -0.26 0.00 0.00 58.87 59.35 1xjb n SER 208 Cb 0.19 -0.63 0.04 0.00 -0.26 0.00 0.00 64.21 63.55 1xjb n SER 208 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xjb n LYS 209 N -1.82 2.79 -3.85 4.33 4.76 -0.39 -4.99 118.16 119.00 1xjb n LYS 209 Ca 0.02 -1.62 -0.29 0.00 -2.87 0.00 0.00 58.31 53.55 1xjb n LYS 209 Cb 0.17 -1.08 0.03 0.00 -1.84 0.00 0.00 35.03 32.31 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 -0.17 -5.09 -4.71 4.39 2.03 0.28 -4.97 116.55 108.30 1xjb n ASP 210 Ca 0.03 -0.73 -0.35 0.00 0.52 0.00 0.00 54.79 54.26 1xjb n ASP 210 Cb 0.29 -4.05 -0.09 0.00 -0.72 0.00 0.00 41.12 36.56 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 -3.29 4.99 -0.05 5.18 1.01 0.27 -4.38 121.20 124.93 1xjb s ILE 211 Ca 0.65 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 61.06 1xjb s ILE 211 Cb -0.32 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1xjb s ILE 211 CO 0.80 0.52 0.87 -0.69 0.00 0.00 0.00 174.94 176.44 1xjb s VAL 212 N -0.14 4.93 -0.26 2.92 1.01 -0.75 -3.80 120.40 124.30 1xjb s VAL 212 Ca 0.08 1.79 -0.20 0.00 0.00 0.00 0.00 61.98 63.65 1xjb s VAL 212 Cb -0.12 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1xjb s VAL 212 CO 0.01 0.17 0.63 -0.22 0.00 0.00 0.00 175.10 175.69 1xjb s LEU 213 N 1.13 4.07 -0.25 3.92 0.20 -1.26 -1.44 118.68 125.05 1xjb s LEU 213 Ca 0.45 0.68 -0.11 0.00 0.69 0.00 0.00 54.13 55.85 1xjb s LEU 213 Cb -0.19 -2.85 -0.05 0.00 -0.43 0.00 0.00 46.19 42.66 1xjb s LEU 213 CO 0.22 -0.38 0.17 -0.69 -0.29 0.00 0.00 176.35 175.37 1xjb s VAL 214 N 2.52 5.33 -0.22 1.68 1.01 -0.91 -2.23 120.40 127.58 1xjb s VAL 214 Ca 0.26 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 1xjb s VAL 214 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1xjb s VAL 214 CO 0.09 0.32 0.63 0.00 0.00 0.00 0.00 175.10 176.13 1xjb s ALA 215 N 1.27 3.57 0.24 5.51 0.00 0.87 -0.85 121.76 132.37 1xjb s ALA 215 Ca 0.07 -0.33 0.08 0.00 0.00 0.00 0.00 51.96 51.78 1xjb s ALA 215 Cb -0.14 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1xjb s ALA 215 CO 0.06 -0.64 0.10 1.52 0.00 0.00 0.00 175.76 176.81 1xjb s TYR 216 N 2.11 2.95 -1.44 0.00 -0.85 -0.22 -1.36 117.35 118.53 1xjb s TYR 216 Ca 0.28 -0.14 -0.11 0.00 -0.52 0.00 0.00 57.07 56.57 1xjb s TYR 216 Cb -0.16 -1.34 0.05 0.00 0.38 0.00 0.00 41.96 40.89 1xjb s TYR 216 CO 0.10 0.55 1.08 0.43 -1.52 0.00 0.00 175.55 176.19 1xjb n SER 217 N -0.91 -5.42 0.19 -0.18 7.64 -1.26 -2.18 113.62 111.51 1xjb n SER 217 Ca -0.08 -0.67 0.14 0.00 1.01 0.00 0.00 58.87 59.27 1xjb n SER 217 Cb 0.58 -4.45 0.42 0.00 -1.01 0.00 0.00 64.21 59.75 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 0.99 1.00 -0.69 -0.43 0.00 -1.77 -2.14 119.26 116.22 1xjb h ALA 218 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.33 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 0.61 0.00 0.00 1.28 0.00 0.00 0.00 179.25 181.14 1xjb n LEU 219 N -2.73 3.87 0.00 0.00 4.77 -1.26 -4.75 117.00 116.90 1xjb n LEU 219 Ca 0.03 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.11 1xjb n LEU 219 Cb 0.39 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1xjb n LEU 219 CO 0.29 0.95 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1xjb n GLY 220 N 1.65 1.10 0.24 -0.72 0.00 -0.81 -4.30 105.19 102.36 1xjb n GLY 220 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.47 0.16 1.61 3.41 -1.22 -4.49 113.62 111.62 1xjb n SER 221 Ca 0.00 0.17 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1xjb n SER 221 Cb 0.00 -0.78 0.46 0.00 -0.26 0.00 0.00 64.21 63.63 1xjb n SER 221 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1xjb h HIS 222 N -0.23 0.00 -2.37 7.33 2.07 -1.95 -3.46 115.15 116.53 1xjb h HIS 222 Ca -0.01 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.14 1xjb h HIS 222 Cb 0.23 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.14 1xjb h HIS 222 CO -0.06 0.00 -0.41 0.54 -3.07 0.00 0.00 177.93 174.93 1xjb n ARG 223 N -2.49 -1.66 -2.26 5.12 1.74 -1.26 -4.94 116.66 110.90 1xjb n ARG 223 Ca 0.03 0.96 -0.42 0.00 -0.77 0.00 0.00 57.85 57.65 1xjb n ARG 223 Cb 0.34 -5.48 -0.03 0.00 -1.02 0.00 0.00 32.46 26.27 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 -4.41 4.33 -0.01 5.56 2.12 -1.26 -4.71 118.70 120.31 1xjb s GLU 224 Ca 0.00 1.94 -0.18 0.00 0.36 0.00 0.00 54.97 57.09 1xjb s GLU 224 Cb 0.00 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 1xjb s GLU 224 CO 0.00 -0.45 0.51 -1.21 -0.54 0.00 0.00 175.26 173.57 1xjb s GLU 225 N 1.65 4.20 -0.16 4.30 2.02 -1.26 -0.48 118.70 128.96 1xjb s GLU 225 Ca 0.63 0.59 0.16 0.00 0.02 0.00 0.00 54.97 56.36 1xjb s GLU 225 Cb -0.32 -3.31 0.49 0.00 0.10 0.00 0.00 34.13 31.09 1xjb s GLU 225 CO 0.28 0.46 1.39 -0.35 0.02 0.00 0.00 175.26 177.06 1xjb n PRO 226 N 2.50 2.86 -0.18 0.39 -0.04 -1.26 -4.90 135.00 134.38 1xjb n PRO 226 Ca -0.09 -2.74 -0.09 0.00 -0.04 0.00 0.00 63.50 60.53 1xjb n PRO 226 Cb 0.51 -1.77 0.03 0.00 -0.04 0.00 0.00 33.50 32.24 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 1.75 1.12 -4.00 0.54 4.06 -1.62 -3.44 115.95 114.36 1xjb h TRP 227 Ca 0.00 -0.22 -0.61 0.00 2.06 0.00 0.00 58.89 60.12 1xjb h TRP 227 Cb 1.34 -0.28 -0.31 0.00 -1.00 0.00 0.00 29.16 28.91 1xjb h TRP 227 CO 0.45 1.03 -0.86 0.08 -3.56 0.00 0.00 178.44 175.58 1xjb s VAL 228 N -4.89 1.66 -0.15 1.49 1.01 0.36 -4.46 120.40 115.42 1xjb s VAL 228 Ca -0.11 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 1xjb s VAL 228 Cb 0.13 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1xjb s VAL 228 CO 0.86 0.47 1.61 -0.62 0.00 0.00 0.00 175.10 177.42 1xjb s ASP 229 N -0.09 6.52 0.58 3.32 -1.08 -1.26 -4.38 116.67 120.27 1xjb s ASP 229 Ca -0.02 1.86 0.36 0.00 -0.52 0.00 0.00 52.55 54.23 1xjb s ASP 229 Cb -0.12 -2.53 1.68 0.00 -1.46 0.00 0.00 42.92 40.49 1xjb s ASP 229 CO 0.02 -1.11 2.10 1.55 0.52 0.00 0.00 175.17 178.26 1xjb h PRO 230 N 10.15 0.00 0.00 4.34 0.13 -1.96 0.10 132.00 144.76 1xjb h PRO 230 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1xjb h PRO 230 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xjb h PRO 230 CO 0.98 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.85 1xjb n ASN 231 N -3.12 0.41 -4.73 1.44 5.03 -1.26 -4.88 115.26 108.15 1xjb n ASN 231 Ca -0.01 0.60 -0.38 0.00 0.87 0.00 0.00 54.58 55.67 1xjb n ASN 231 Cb 0.24 -0.69 0.05 0.00 -1.02 0.00 0.00 39.78 38.36 1xjb n ASN 231 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1xjb n SER 232 N -1.96 2.29 -4.75 6.41 3.41 0.35 -4.94 113.62 114.44 1xjb n SER 232 Ca 0.03 0.91 -0.38 0.00 -0.26 0.00 0.00 58.87 59.17 1xjb n SER 232 Cb 0.21 -1.55 0.04 0.00 -0.26 0.00 0.00 64.21 62.65 1xjb n SER 232 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1xjb s PRO 233 N -3.05 3.03 -0.50 4.33 0.02 -1.26 -4.96 135.00 132.61 1xjb s PRO 233 Ca 0.76 2.13 -0.27 0.00 0.02 0.00 0.00 61.00 63.64 1xjb s PRO 233 Cb -0.40 -2.14 0.03 0.00 0.02 0.00 0.00 34.50 32.00 1xjb s PRO 233 CO 0.46 -1.25 1.03 0.08 -0.33 0.00 0.00 177.00 176.99 1xjb s VAL 234 N -1.36 4.32 0.19 3.83 1.01 -1.26 -4.95 120.40 122.17 1xjb s VAL 234 Ca 0.74 0.84 -0.14 0.00 0.00 0.00 0.00 61.98 63.43 1xjb s VAL 234 Cb -0.38 -4.54 0.13 0.00 0.00 0.00 0.00 36.38 31.59 1xjb s VAL 234 CO 0.44 -1.00 1.68 0.25 0.00 0.00 0.00 175.10 176.47 1xjb h LEU 235 N 11.01 -0.21 0.00 3.92 5.85 -1.87 -1.29 115.31 132.72 1xjb h LEU 235 Ca -0.24 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1xjb h LEU 235 Cb 1.07 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1xjb h LEU 235 CO 1.09 -0.07 0.00 0.18 -0.34 0.00 0.00 178.44 179.29 1xjb n LEU 236 N -5.23 0.00 -0.51 2.25 4.77 -1.26 -0.54 117.00 116.48 1xjb n LEU 236 Ca 0.05 0.37 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 1xjb n LEU 236 Cb 0.27 -0.37 0.43 0.00 -2.33 0.00 0.00 43.42 41.41 1xjb n LEU 236 CO 0.15 -0.18 0.78 -0.62 -1.33 0.00 0.00 177.39 176.19 1xjb n GLU 237 N -1.37 1.60 -1.65 3.23 1.02 -0.49 -4.77 120.64 118.20 1xjb n GLU 237 Ca 0.06 -1.02 -0.47 0.00 -0.02 0.00 0.00 57.16 55.71 1xjb n GLU 237 Cb 0.14 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 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 0.19 2.72 -0.19 1.62 -0.08 0.29 -4.88 116.55 116.22 1xjb n ASP 238 Ca 0.17 1.11 -0.03 0.00 -1.51 0.00 0.00 54.79 54.52 1xjb n ASP 238 Cb 0.39 -1.38 0.07 0.00 2.34 0.00 0.00 41.12 42.54 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 5.18 0.54 -0.38 -0.67 0.13 -1.92 -1.11 132.00 133.76 1xjb h PRO 239 Ca -0.45 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1xjb h PRO 239 Cb 1.28 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1xjb h PRO 239 CO 0.83 0.36 0.23 0.28 -0.23 0.00 0.00 178.00 179.47 1xjb h VAL 240 N 0.55 1.05 -0.39 1.56 2.07 -1.98 0.23 116.25 119.34 1xjb h VAL 240 Ca 0.25 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1xjb h VAL 240 Cb 0.16 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1xjb h VAL 240 CO -0.17 0.09 0.20 -0.07 0.02 0.00 0.00 177.57 177.63 1xjb h LEU 241 N 0.47 0.29 -1.03 2.57 3.38 -1.90 -0.80 115.31 118.29 1xjb h LEU 241 Ca 0.15 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1xjb h LEU 241 Cb -0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1xjb h LEU 241 CO -0.06 0.21 0.66 0.00 0.09 0.00 0.00 178.44 179.34 1xjb h ALA 243 N 1.39 0.02 -0.31 0.00 0.00 -0.23 -0.76 119.26 119.38 1xjb h ALA 243 Ca 0.37 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1xjb h ALA 243 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xjb h ALA 243 CO -0.09 -0.34 0.19 -0.07 0.00 0.00 0.00 179.25 178.93 1xjb h LEU 244 N -0.22 0.32 -0.54 0.00 3.38 -0.84 -0.75 115.31 116.65 1xjb h LEU 244 Ca 0.01 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1xjb h LEU 244 Cb 0.26 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 1xjb h LEU 244 CO 0.00 0.23 0.01 0.00 0.09 0.00 0.00 178.44 178.77 1xjb h ALA 245 N 1.13 0.53 -0.52 1.53 0.00 -0.28 -0.57 119.26 121.08 1xjb h ALA 245 Ca 0.12 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1xjb h ALA 245 Cb -0.02 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xjb h ALA 245 CO -0.04 -0.38 0.29 -0.22 0.00 0.00 0.00 179.25 178.90 1xjb h LYS 246 N 0.13 0.72 -0.16 0.00 3.64 -0.65 0.78 116.57 121.03 1xjb h LYS 246 Ca 0.28 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1xjb h LYS 246 Cb 0.42 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1xjb h LYS 246 CO -0.44 0.56 0.08 -0.22 -2.27 0.00 0.00 179.45 177.15 1xjb h LYS 247 N 0.70 0.16 -0.00 1.90 3.64 -0.40 -2.39 116.57 120.18 1xjb h LYS 247 Ca 0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1xjb h LYS 247 Cb 0.04 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1xjb h LYS 247 CO -0.03 0.11 -0.02 0.72 -2.27 0.00 0.00 179.45 177.95 1xjb n HIS 248 N -5.02 0.00 -3.74 1.91 8.25 -0.29 -4.90 115.22 111.42 1xjb n HIS 248 Ca -0.04 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.15 1xjb n HIS 248 Cb 0.05 -0.06 0.05 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.73 -6.85 0.00 -0.41 4.76 -0.33 -4.99 118.16 109.60 1xjb n LYS 249 Ca 0.20 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.36 1xjb n LYS 249 Cb 0.21 -5.71 0.00 0.00 -1.84 0.00 0.00 35.03 27.70 1xjb n LYS 249 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1xjb n ARG 250 N -4.86 3.18 -4.13 1.97 5.12 0.12 -5.03 116.66 113.02 1xjb n ARG 250 Ca 0.03 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.83 1xjb n ARG 250 Cb 0.54 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.74 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 2.69 0.65 0.29 0.55 -4.23 -1.26 -4.56 115.64 109.76 1xjb s THR 251 Ca 0.00 -1.57 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1xjb s THR 251 Cb 0.00 -1.22 0.29 0.00 1.34 0.00 0.00 72.50 72.90 1xjb s THR 251 CO 0.00 -0.65 1.81 -0.65 -0.54 0.00 0.00 174.62 174.59 1xjb h PRO 252 N 3.63 0.86 -0.51 3.99 0.11 -1.89 -0.54 132.00 137.66 1xjb h PRO 252 Ca -0.36 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.74 1xjb h PRO 252 Cb 1.18 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1xjb h PRO 252 CO 0.54 0.57 0.27 0.00 -0.21 0.00 0.00 178.00 179.17 1xjb h ALA 253 N 1.58 0.65 -0.61 -0.75 0.00 -1.94 -1.67 119.26 116.52 1xjb h ALA 253 Ca 0.53 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1xjb h ALA 253 Cb 0.65 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1xjb h ALA 253 CO -0.32 -0.07 0.38 -0.07 0.00 0.00 0.00 179.25 179.18 1xjb h LEU 254 N 0.53 0.71 -0.44 0.00 3.38 -1.52 -1.71 115.31 116.26 1xjb h LEU 254 Ca 0.22 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1xjb h LEU 254 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1xjb h LEU 254 CO -0.14 0.54 0.24 0.40 0.09 0.00 0.00 178.44 179.57 1xjb h ILE 255 N 0.82 1.01 -0.91 1.22 1.08 -1.06 0.73 117.51 120.39 1xjb h ILE 255 Ca 0.22 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1xjb h ILE 255 Cb -0.05 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.14 1xjb h ILE 255 CO -0.04 0.09 0.56 0.00 -0.69 0.00 0.00 178.15 178.06 1xjb h ALA 256 N 1.21 1.27 -0.05 1.87 0.00 -0.99 -0.46 119.26 122.12 1xjb h ALA 256 Ca 0.18 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1xjb h ALA 256 Cb 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.48 1xjb h ALA 256 CO -0.11 0.63 -0.39 -0.07 0.00 0.00 0.00 179.25 179.32 1xjb h LEU 257 N 1.25 0.42 -1.42 0.00 3.38 -1.01 -3.21 115.31 114.73 1xjb h LEU 257 Ca 0.33 -0.69 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1xjb h LEU 257 Cb -0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1xjb h LEU 257 CO -0.06 1.05 0.41 -0.09 0.09 0.00 0.00 178.44 179.84 1xjb h ARG 258 N -0.18 0.75 -0.36 1.13 9.65 -0.67 -2.07 114.38 122.63 1xjb h ARG 258 Ca -0.04 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 58.87 1xjb h ARG 258 Cb 1.07 -0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 29.41 1xjb h ARG 258 CO 0.08 0.50 -0.08 -0.92 2.80 0.00 0.00 179.97 182.34 1xjb h TYR 259 N 0.77 -0.18 -0.35 2.20 3.20 -1.11 -1.37 116.97 120.14 1xjb h TYR 259 Ca 0.24 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1xjb h TYR 259 Cb 0.03 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1xjb h TYR 259 CO -0.00 -0.15 0.14 1.96 -1.64 0.00 0.00 178.16 178.47 1xjb h GLN 260 N 0.01 0.52 -0.99 1.82 1.08 -1.39 -2.87 115.11 113.28 1xjb h GLN 260 Ca 0.18 -0.09 0.05 0.00 -1.45 0.00 0.00 58.65 57.33 1xjb h GLN 260 Cb 0.27 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 1xjb h GLN 260 CO -0.37 0.50 0.65 -0.07 -0.95 0.00 0.00 178.83 178.59 1xjb h LEU 261 N 0.42 1.05 0.00 1.46 3.38 -1.05 -0.30 115.31 120.27 1xjb h LEU 261 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xjb h LEU 261 Cb 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xjb h LEU 261 CO -0.01 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1xjb n GLN 262 N -4.47 0.14 -0.29 1.13 6.02 -0.55 -2.47 117.38 116.89 1xjb n GLN 262 Ca 0.14 0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.25 1xjb n GLN 262 Cb 0.14 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.42 2.94 -1.37 -1.09 1.85 -0.48 -4.95 116.66 112.14 1xjb n ARG 263 Ca 0.09 -2.36 0.00 0.00 -1.00 0.00 0.00 57.85 54.58 1xjb n ARG 263 Cb 0.27 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 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 0.75 0.43 3.74 2.89 0.00 -1.03 -5.06 105.19 106.92 1xjb n GLY 264 Ca 0.17 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 4.99 -0.00 1.61 1.01 -0.24 -4.69 120.40 121.07 1xjb s VAL 265 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1xjb s VAL 265 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1xjb s VAL 265 CO 0.00 0.55 0.94 -0.69 0.00 0.00 0.00 175.10 175.90 1xjb s VAL 266 N -0.42 4.87 -0.06 2.92 1.01 -0.95 -3.58 120.40 124.19 1xjb s VAL 266 Ca 0.10 1.97 0.04 0.00 0.00 0.00 0.00 61.98 64.09 1xjb s VAL 266 Cb -0.12 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1xjb s VAL 266 CO 0.02 0.18 -0.19 0.54 0.00 0.00 0.00 175.10 175.66 1xjb s VAL 267 N 0.91 2.66 0.30 2.92 0.11 -0.56 -0.09 120.40 126.66 1xjb s VAL 267 Ca 0.50 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.72 1xjb s VAL 267 Cb -0.21 -2.02 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 1xjb s VAL 267 CO 0.27 0.58 0.46 -0.76 -3.33 0.00 0.00 175.10 172.31 1xjb s LEU 268 N -0.43 4.13 -0.22 2.54 1.43 -0.46 -1.16 118.68 124.51 1xjb s LEU 268 Ca 0.05 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.28 1xjb s LEU 268 Cb -0.12 -3.06 0.09 0.00 0.03 0.00 0.00 46.19 43.13 1xjb s LEU 268 CO 0.02 -0.22 0.48 0.00 0.23 0.00 0.00 176.35 176.86 1xjb s ALA 269 N -2.17 -1.36 -0.14 4.21 0.00 0.07 -4.43 121.76 117.95 1xjb s ALA 269 Ca 0.38 1.75 -0.06 0.00 0.00 0.00 0.00 51.96 54.03 1xjb s ALA 269 Cb -0.09 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1xjb s ALA 269 CO 0.33 -0.64 0.09 0.21 0.00 0.00 0.00 175.76 175.74 1xjb s LYS 270 N 2.30 3.56 -0.27 0.00 2.36 -1.26 -1.45 119.74 124.98 1xjb s LYS 270 Ca -0.05 -0.25 -0.25 0.00 -2.55 0.00 0.00 55.97 52.87 1xjb s LYS 270 Cb -0.11 -3.14 0.08 0.00 -1.05 0.00 0.00 37.83 33.61 1xjb s LYS 270 CO -0.15 0.58 0.75 0.45 1.55 0.00 0.00 175.35 178.54 1xjb s SER 271 N -0.49 -0.72 0.00 1.43 0.15 -1.26 -4.96 113.70 107.85 1xjb s SER 271 Ca 0.11 1.39 0.11 0.00 0.70 0.00 0.00 55.95 58.25 1xjb s SER 271 Cb -0.12 1.41 0.30 0.00 -1.71 0.00 0.00 66.02 65.90 1xjb s SER 271 CO 0.02 -0.24 1.25 -1.22 1.20 0.00 0.00 173.24 174.25 1xjb n TYR 272 N 2.65 0.45 -3.53 3.44 4.02 -1.26 -4.85 117.16 118.09 1xjb n TYR 272 Ca -0.14 -0.49 -0.37 0.00 -0.01 0.00 0.00 57.90 56.88 1xjb n TYR 272 Cb 0.55 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 39.76 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 6.27 0.24 7.72 2.47 -1.26 -4.89 114.94 124.49 1xjb s ASN 273 Ca 0.23 0.30 -0.05 0.00 0.42 0.00 0.00 52.86 53.76 1xjb s ASN 273 Cb 0.12 -2.17 0.39 0.00 -1.45 0.00 0.00 41.25 38.14 1xjb s ASN 273 CO 0.16 -0.01 1.79 -0.08 -3.72 0.00 0.00 177.10 175.24 1xjb h GLU 274 N 7.45 0.65 -0.43 0.43 4.81 -1.99 0.14 114.58 125.64 1xjb h GLU 274 Ca -0.37 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.72 1xjb h GLU 274 Cb 1.17 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1xjb h GLU 274 CO 0.68 0.43 -0.11 0.37 -0.73 0.00 0.00 179.01 179.65 1xjb h GLN 275 N 0.67 0.84 -0.00 1.92 4.15 -2.00 -2.38 115.11 118.31 1xjb h GLN 275 Ca 0.38 -0.33 -0.14 0.00 0.77 0.00 0.00 58.65 59.34 1xjb h GLN 275 Cb 0.41 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1xjb h GLN 275 CO -0.28 0.96 -0.65 0.00 -1.93 0.00 0.00 178.83 176.93 1xjb h ARG 276 N 0.67 0.00 0.11 1.69 3.08 -1.80 -0.41 114.38 117.73 1xjb h ARG 276 Ca 0.11 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1xjb h ARG 276 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1xjb h ARG 276 CO 0.04 0.65 -0.06 0.82 -1.07 0.00 0.00 179.97 180.36 1xjb h ILE 277 N 0.00 0.95 -0.58 2.04 2.04 -0.83 -1.04 117.51 120.09 1xjb h ILE 277 Ca -0.01 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1xjb h ILE 277 Cb 1.15 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1xjb h ILE 277 CO 0.08 0.06 0.11 0.03 0.00 0.00 0.00 178.15 178.43 1xjb h ARG 278 N -0.27 0.93 -0.52 2.37 3.08 -1.32 -3.08 114.38 115.57 1xjb h ARG 278 Ca -0.02 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 59.84 1xjb h ARG 278 Cb 0.22 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1xjb h ARG 278 CO 0.03 0.85 0.31 0.37 -1.07 0.00 0.00 179.97 180.46 1xjb h GLN 279 N 0.88 0.59 -0.21 0.04 4.15 -0.72 -3.07 115.11 116.77 1xjb h GLN 279 Ca 0.18 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.63 1xjb h GLN 279 Cb 0.37 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1xjb h GLN 279 CO 0.01 0.39 0.15 -0.91 -1.93 0.00 0.00 178.83 176.54 1xjb h ASN 280 N 0.61 0.02 0.50 -0.69 2.35 -1.10 -0.68 115.58 116.58 1xjb h ASN 280 Ca 0.21 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1xjb h ASN 280 Cb 0.03 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1xjb h ASN 280 CO -0.10 0.01 0.00 0.52 -1.65 0.00 0.00 177.43 176.21 1xjb n VAL 281 N -4.48 0.48 0.97 2.81 0.31 -1.16 -2.12 118.33 115.14 1xjb n VAL 281 Ca 0.02 0.12 0.11 0.00 -0.01 0.00 0.00 64.34 64.58 1xjb n VAL 281 Cb 0.28 -0.78 0.54 0.00 -0.91 0.00 0.00 33.84 32.97 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 -1.37 0.21 0.32 5.55 6.02 -0.26 -3.18 117.38 124.67 1xjb n GLN 282 Ca 0.08 0.09 0.21 0.00 -0.01 0.00 0.00 57.00 57.36 1xjb n GLN 282 Cb 0.19 -1.50 1.11 0.00 1.02 0.00 0.00 30.24 31.06 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 0.00 0.00 -0.01 5.09 3.04 -1.62 0.49 116.25 123.24 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 0.28 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1xjb h VAL 283 CO 0.00 0.00 -0.01 0.49 -1.01 0.00 0.00 177.57 177.04 1xjb n PHE 284 N -2.97 0.00 0.89 3.17 3.72 -1.19 -4.09 117.46 116.99 1xjb n PHE 284 Ca -0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.48 1xjb n PHE 284 Cb 0.10 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.12 0.07 -4.17 -1.08 1.02 0.16 -5.00 120.64 111.53 1xjb n GLU 285 Ca 0.20 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 57.17 1xjb n GLU 285 Cb 0.30 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 1xjb n GLU 285 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1xjb s PHE 286 N -3.05 1.32 0.07 -0.32 -0.71 -1.26 -5.18 117.98 108.85 1xjb s PHE 286 Ca 0.07 -1.43 -0.04 0.00 -1.04 0.00 0.00 56.93 54.50 1xjb s PHE 286 Cb 0.16 -0.35 -0.02 0.00 -1.21 0.00 0.00 43.02 41.60 1xjb s PHE 286 CO 0.81 -1.00 0.07 -0.65 -1.34 0.00 0.00 175.22 173.11 1xjb s GLN 287 N -3.29 0.73 -0.02 1.99 -0.21 -1.26 -4.99 119.66 112.61 1xjb s GLN 287 Ca 0.35 -1.13 0.01 0.00 0.02 0.00 0.00 55.36 54.60 1xjb s GLN 287 Cb 0.01 0.27 -0.03 0.00 1.00 0.00 0.00 33.01 34.25 1xjb s GLN 287 CO 0.22 -0.19 -0.00 -0.51 -2.12 0.00 0.00 175.29 172.69 1xjb s LEU 288 N -2.91 3.50 0.75 2.90 1.43 -1.26 -5.12 118.68 117.97 1xjb s LEU 288 Ca 0.08 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1xjb s LEU 288 Cb 0.07 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1xjb s LEU 288 CO -0.09 0.30 1.08 0.42 0.23 0.00 0.00 176.35 178.29 1xjb s THR 289 N -1.03 3.45 0.38 5.49 -4.23 -1.26 -4.83 115.64 113.60 1xjb s THR 289 Ca 0.18 0.47 0.05 0.00 -1.18 0.00 0.00 61.69 61.21 1xjb s THR 289 Cb -0.11 -3.27 0.25 0.00 1.34 0.00 0.00 72.50 70.70 1xjb s THR 289 CO 0.08 -0.61 2.02 0.77 -0.54 0.00 0.00 174.62 176.33 1xjb h SER 290 N -0.89 0.58 -0.61 3.99 4.64 -1.99 -0.04 113.55 119.23 1xjb h SER 290 Ca -0.46 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 1xjb h SER 290 Cb 1.25 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1xjb h SER 290 CO 0.60 0.45 0.13 -0.33 -0.87 0.00 0.00 176.83 176.80 1xjb h GLU 291 N 0.67 1.00 -0.54 4.77 5.08 -1.99 0.18 114.58 123.75 1xjb h GLU 291 Ca 0.18 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1xjb h GLU 291 Cb -0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1xjb h GLU 291 CO -0.03 0.92 0.16 0.93 -1.00 0.00 0.00 179.01 179.99 1xjb h GLU 292 N 0.91 0.84 -0.39 2.33 5.08 -1.70 -0.79 114.58 120.85 1xjb h GLU 292 Ca 0.19 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1xjb h GLU 292 Cb 0.38 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1xjb h GLU 292 CO 0.01 0.77 0.12 0.52 -1.00 0.00 0.00 179.01 179.42 1xjb h MET 293 N 0.74 0.26 -0.78 2.33 2.86 -0.84 -1.95 114.93 117.55 1xjb h MET 293 Ca 0.17 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1xjb h MET 293 Cb 0.29 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1xjb h MET 293 CO -0.00 0.17 0.37 0.87 1.06 0.00 0.00 176.91 179.38 1xjb h LYS 294 N 0.27 1.12 -0.26 1.72 1.57 -0.76 0.76 116.57 120.98 1xjb h LYS 294 Ca 0.18 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1xjb h LYS 294 Cb 0.18 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1xjb h LYS 294 CO -0.20 0.86 0.01 0.00 -0.57 0.00 0.00 179.45 179.55 1xjb h ALA 295 N 1.30 1.53 0.09 3.86 0.00 -0.66 -1.43 119.26 123.94 1xjb h ALA 295 Ca 0.27 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 1xjb h ALA 295 Cb 0.12 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.81 1xjb h ALA 295 CO -0.03 0.35 -1.20 0.82 0.00 0.00 0.00 179.25 179.19 1xjb h ILE 296 N 0.38 1.28 -0.90 0.00 2.04 -0.57 -3.06 117.51 116.68 1xjb h ILE 296 Ca 0.09 -2.40 0.18 0.00 1.00 0.00 0.00 64.86 63.72 1xjb h ILE 296 Cb 0.24 2.60 -0.07 0.00 -0.74 0.00 0.00 36.82 38.86 1xjb h ILE 296 CO 0.01 0.73 0.59 0.44 0.00 0.00 0.00 178.15 179.92 1xjb h ASP 297 N 0.31 0.55 0.43 1.72 3.32 -0.41 -0.83 116.42 121.52 1xjb h ASP 297 Ca -0.17 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1xjb h ASP 297 Cb 1.86 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1xjb h ASP 297 CO 0.23 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.61 1xjb n GLY 298 N -1.46 -1.00 0.01 2.75 0.00 -0.58 -2.66 105.19 102.26 1xjb n GLY 298 Ca 0.19 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.39 1xjb n GLY 298 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xjb n LEU 299 N -1.87 0.09 -4.69 0.99 4.77 -0.32 -4.90 117.00 111.07 1xjb n LEU 299 Ca 0.02 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 1xjb n LEU 299 Cb 0.14 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1xjb n LEU 299 CO 0.13 0.02 1.47 0.21 -1.33 0.00 0.00 177.39 177.88 1xjb s ASN 300 N -2.73 6.41 -0.05 -1.43 2.47 -0.92 -4.42 114.94 114.27 1xjb s ASN 300 Ca 0.23 2.78 0.08 0.00 0.42 0.00 0.00 52.86 56.36 1xjb s ASN 300 Cb 0.20 -2.57 0.11 0.00 -1.45 0.00 0.00 41.25 37.54 1xjb s ASN 300 CO 0.50 -1.00 1.05 -2.11 -3.72 0.00 0.00 177.10 171.81 1xjb n ARG 301 N 5.50 0.55 -3.56 0.43 1.85 -0.77 -4.98 116.66 115.68 1xjb n ARG 301 Ca 0.18 -1.62 -0.26 0.00 -1.00 0.00 0.00 57.85 55.14 1xjb n ARG 301 Cb 0.38 -0.90 0.01 0.00 -1.05 0.00 0.00 32.46 30.90 1xjb n ARG 301 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1xjb n ASN 302 N -0.58 -4.50 -4.35 2.89 5.15 -0.93 -4.93 115.26 108.01 1xjb n ASN 302 Ca 0.06 -0.55 -0.45 0.00 -0.60 0.00 0.00 54.58 53.04 1xjb n ASN 302 Cb 0.67 -3.65 -0.05 0.00 -0.53 0.00 0.00 39.78 36.21 1xjb n ASN 302 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xjb s VAL 303 N -3.12 5.10 -0.40 3.44 1.01 -0.73 -5.03 120.40 120.68 1xjb s VAL 303 Ca 0.51 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 1xjb s VAL 303 Cb -0.26 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.80 1xjb s VAL 303 CO 0.62 -0.88 0.64 -0.60 0.00 0.00 0.00 175.10 174.88 1xjb s ARG 304 N 1.93 3.49 0.21 2.72 3.52 -1.26 -4.31 118.95 125.25 1xjb s ARG 304 Ca 0.06 -0.15 -0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1xjb s ARG 304 Cb -0.27 -3.88 0.17 0.00 -1.56 0.00 0.00 34.95 29.41 1xjb s ARG 304 CO 0.05 -0.87 1.55 1.88 -0.81 0.00 0.00 175.30 177.10 1xjb h TYR 305 N 8.67 0.67 -3.49 5.12 0.05 -1.95 -3.41 116.97 122.62 1xjb h TYR 305 Ca -0.26 -0.21 -0.67 0.00 0.05 0.00 0.00 58.73 57.64 1xjb h TYR 305 Cb 1.10 -0.13 -0.38 0.00 1.01 0.00 0.00 36.73 38.33 1xjb h TYR 305 CO 0.74 0.92 -0.54 -1.17 -1.05 0.00 0.00 178.16 177.06 1xjb s LEU 306 N -8.42 4.81 0.13 3.88 1.98 -1.26 -4.41 118.68 115.40 1xjb s LEU 306 Ca -0.07 -2.73 0.12 0.00 -2.89 0.00 0.00 54.13 48.56 1xjb s LEU 306 Cb 0.12 -1.74 -0.12 0.00 0.66 0.00 0.00 46.19 45.12 1xjb s LEU 306 CO 0.83 -0.34 1.16 0.71 -1.89 0.00 0.00 176.35 176.82 1xjb h THR 307 N 5.67 1.12 -5.43 3.68 1.35 -1.80 -3.48 112.91 114.02 1xjb h THR 307 Ca -0.06 -2.71 -0.40 0.00 -0.55 0.00 0.00 66.41 62.69 1xjb h THR 307 Cb 0.95 2.52 -0.05 0.00 -1.73 0.00 0.00 68.15 69.84 1xjb h THR 307 CO 0.68 0.64 -0.61 0.18 -0.25 0.00 0.00 175.52 176.15 1xjb n LEU 308 N -3.19 -1.97 0.00 3.87 4.77 -1.26 -4.81 117.00 114.41 1xjb n LEU 308 Ca -0.04 -0.45 0.09 0.00 -0.03 0.00 0.00 56.01 55.58 1xjb n LEU 308 Cb 0.88 -2.38 0.44 0.00 -2.33 0.00 0.00 43.42 40.03 1xjb n LEU 308 CO 0.44 0.23 0.77 -0.90 -1.33 0.00 0.00 177.39 176.60 1xjb n ASP 309 N -2.44 0.00 0.32 -1.43 5.68 -1.26 -1.18 116.55 116.24 1xjb n ASP 309 Ca -0.02 0.08 0.21 0.00 -0.50 0.00 0.00 54.79 54.55 1xjb n ASP 309 Cb 0.55 -0.31 1.07 0.00 -1.14 0.00 0.00 41.12 41.30 1xjb n ASP 309 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1xjb h ILE 310 N 0.00 0.04 -0.55 2.12 3.07 -2.00 -1.10 117.51 119.09 1xjb h ILE 310 Ca 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.27 1xjb h ILE 310 Cb 0.18 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 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 -3.13 0.72 -2.08 0.16 3.72 -0.32 -4.97 117.46 111.56 1xjb n PHE 311 Ca -0.02 -0.36 -0.33 0.00 -0.05 0.00 0.00 57.45 56.69 1xjb n PHE 311 Cb 0.13 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.28 2.72 0.00 4.37 0.00 -0.42 -4.32 121.76 122.84 1xjb s ALA 312 Ca 0.42 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1xjb s ALA 312 Cb 0.23 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1xjb s ALA 312 CO 0.31 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1xjb n GLY 313 N -0.76 2.47 3.74 0.00 0.00 -1.26 -5.08 105.19 104.30 1xjb n GLY 313 Ca 0.09 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 2.73 0.49 1.61 0.02 -1.26 -4.89 135.00 133.70 1xjb s PRO 314 Ca 0.00 2.04 0.21 0.00 0.02 0.00 0.00 61.00 63.27 1xjb s PRO 314 Cb 0.00 -1.93 1.26 0.00 0.02 0.00 0.00 34.50 33.85 1xjb s PRO 314 CO 0.00 -1.45 1.97 -1.35 -0.33 0.00 0.00 177.00 175.84 1xjb h PRO 315 N 0.76 0.16 0.00 5.54 0.11 -1.98 -1.86 132.00 134.73 1xjb h PRO 315 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1xjb h PRO 315 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1xjb h PRO 315 CO 0.54 0.11 0.00 0.09 -0.21 0.00 0.00 178.00 178.53 1xjb n ASN 316 N -4.42 0.00 -4.69 -2.05 3.02 -1.26 -4.80 115.26 101.07 1xjb n ASN 316 Ca 0.11 -0.86 -0.50 0.00 -0.03 0.00 0.00 54.58 53.30 1xjb n ASN 316 Cb 0.57 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.66 1xjb n ASN 316 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjb n TYR 317 N -1.02 2.27 0.50 3.10 9.36 -0.70 -4.50 117.16 126.17 1xjb n TYR 317 Ca 0.21 0.12 0.13 0.00 3.32 0.00 0.00 57.90 61.68 1xjb n TYR 317 Cb 0.11 -2.62 0.30 0.00 -0.63 0.00 0.00 39.34 36.50 1xjb n TYR 317 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1xjb h PRO 318 N 8.63 0.00 -0.63 2.98 0.13 -1.87 -3.39 132.00 137.85 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 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xjb h PRO 318 CO 0.95 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.91 1xjb n PHE 319 N -2.45 0.92 0.12 1.56 3.72 -1.26 -4.12 117.46 115.94 1xjb n PHE 319 Ca 0.05 -0.44 -0.23 0.00 -0.05 0.00 0.00 57.45 56.78 1xjb n PHE 319 Cb 0.46 -0.04 -0.15 0.00 -0.94 0.00 0.00 39.48 38.81 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 3.66 0.71 -4.28 4.37 0.02 -2.00 -3.46 113.55 112.58 1xjb h SER 320 Ca 0.00 -0.85 -0.52 0.00 -0.84 0.00 0.00 61.79 59.58 1xjb h SER 320 Cb 0.92 -0.23 0.16 0.00 0.14 0.00 0.00 62.40 63.39 1xjb h SER 320 CO 0.03 1.69 0.27 -1.81 -1.14 0.00 0.00 176.83 175.87 1xjb s ASP 321 N -7.42 3.67 0.33 3.07 1.11 -1.26 -4.91 116.67 111.27 1xjb s ASP 321 Ca -0.11 1.99 0.03 0.00 0.18 0.00 0.00 52.55 54.64 1xjb s ASP 321 Cb 0.05 -2.53 0.62 0.00 1.07 0.00 0.00 42.92 42.12 1xjb s ASP 321 CO 0.91 -2.59 1.95 -0.08 1.18 0.00 0.00 175.17 176.54 1xjb h GLU 322 N -1.52 0.88 0.00 8.23 4.81 -1.93 -3.52 114.58 121.54 1xjb h GLU 322 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1xjb h GLU 322 Cb 1.25 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1xjb h GLU 322 CO 0.47 0.58 0.00 2.48 -0.73 0.00 0.00 179.01 181.81