#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwb n GLY 17 N 0.00 4.14 2.02 0.46 0.00 -1.26 -4.40 105.19 106.15 3bwb n GLY 17 Ca 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 3bwb n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwb n GLY 18 N 3.30 0.39 2.88 -0.02 0.00 -1.26 -5.03 105.19 105.45 3bwb n GLY 18 Ca 0.73 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 3bwb n GLY 18 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bwb s TRP 19 N -2.03 -0.14 0.14 1.61 0.52 -1.26 -1.58 118.94 116.19 3bwb s TRP 19 Ca 0.00 0.48 -0.25 0.00 0.02 0.00 0.00 56.10 56.35 3bwb s TRP 19 Cb 0.00 -0.16 -0.07 0.00 -1.15 0.00 0.00 33.47 32.09 3bwb s TRP 19 CO 0.00 -0.19 0.78 0.12 0.02 0.00 0.00 176.95 177.68 3bwb s PHE 20 N 1.49 3.87 -0.13 -1.98 5.36 0.63 -1.78 117.98 125.44 3bwb s PHE 20 Ca -0.06 1.60 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 3bwb s PHE 20 Cb -0.12 -2.78 0.02 0.00 -0.34 0.00 0.00 43.02 39.80 3bwb s PHE 20 CO -0.06 0.46 -0.15 0.50 -1.46 0.00 0.00 175.22 174.51 3bwb s ARG 21 N -0.88 2.31 0.36 10.12 3.52 -1.26 -1.39 118.95 131.73 3bwb s ARG 21 Ca 0.37 -0.58 -0.25 0.00 -0.13 0.00 0.00 55.73 55.13 3bwb s ARG 21 Cb -0.22 -2.01 -0.09 0.00 -1.56 0.00 0.00 34.95 31.06 3bwb s ARG 21 CO 0.26 -0.12 1.05 -2.00 -0.81 0.00 0.00 175.30 173.68 3bwb s GLU 22 N 1.15 4.31 0.49 5.12 2.12 -1.26 -4.99 118.70 125.65 3bwb s GLU 22 Ca -0.02 1.57 -0.23 0.00 0.36 0.00 0.00 54.97 56.64 3bwb s GLU 22 Cb -0.14 -2.72 -0.06 0.00 0.26 0.00 0.00 34.13 31.47 3bwb s GLU 22 CO -0.05 -0.02 1.28 -1.21 -0.54 0.00 0.00 175.26 174.72 3bwb s GLU 23 N -2.20 3.50 -0.05 4.30 2.02 -0.47 -4.75 118.70 121.05 3bwb s GLU 23 Ca 0.54 2.06 -0.08 0.00 0.02 0.00 0.00 54.97 57.52 3bwb s GLU 23 Cb -0.24 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 3bwb s GLU 23 CO 0.30 -0.85 0.38 -0.91 0.02 0.00 0.00 175.26 174.20 3bwb h ASN 24 N 1.87 -0.24 0.00 -0.19 4.21 -1.89 -3.47 115.58 115.87 3bwb h ASN 24 Ca -0.50 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.02 3bwb h ASN 24 Cb 1.27 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.53 3bwb h ASN 24 CO 0.59 0.12 0.00 -0.67 -1.29 0.00 0.00 177.43 176.18 3bwb n ASP 25 N -4.38 0.00 -4.74 5.81 2.03 -1.26 -4.48 116.55 109.53 3bwb n ASP 25 Ca -0.04 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.87 3bwb n ASP 25 Cb 0.11 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.47 3bwb n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bwb s GLN 26 N 0.00 4.58 -0.28 -0.67 1.03 -1.26 -4.34 119.66 118.72 3bwb s GLN 26 Ca 0.00 1.75 -0.03 0.00 0.04 0.00 0.00 55.36 57.12 3bwb s GLN 26 Cb 0.00 -3.27 0.01 0.00 0.03 0.00 0.00 33.01 29.79 3bwb s GLN 26 CO 0.00 0.06 0.06 0.91 -2.54 0.00 0.00 175.29 173.78 3bwb n TRP 27 N 2.31 -4.15 -3.13 9.60 8.01 -1.26 -5.01 117.44 123.81 3bwb n TRP 27 Ca 0.03 2.00 -0.32 0.00 -1.31 0.00 0.00 57.50 57.90 3bwb n TRP 27 Cb 0.46 -4.00 -0.05 0.00 -2.01 0.00 0.00 31.31 25.70 3bwb n TRP 27 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 3bwb s PRO 28 N -1.39 3.90 0.00 -0.99 0.04 -1.26 -4.31 135.00 130.99 3bwb s PRO 28 Ca -0.07 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.49 3bwb s PRO 28 Cb 0.00 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.08 3bwb s PRO 28 CO 0.79 0.14 0.00 0.41 0.04 0.00 0.00 177.00 178.38 3bwb n GLY 29 N -0.55 2.09 3.84 0.56 0.00 -1.26 -5.10 105.19 104.77 3bwb n GLY 29 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3bwb n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3bwb s GLN 30 N -0.13 3.32 0.00 1.61 -2.07 -1.26 -5.15 119.66 115.98 3bwb s GLN 30 Ca 0.00 -0.25 0.00 0.00 -1.82 0.00 0.00 55.36 53.29 3bwb s GLN 30 Cb 0.00 -3.07 0.00 0.00 -1.09 0.00 0.00 33.01 28.85 3bwb s GLN 30 CO 0.00 0.73 0.00 0.00 -1.32 0.00 0.00 175.29 174.70 3bwb n ALA 31 N 1.71 0.00 0.00 2.60 0.00 -1.26 -4.26 120.51 119.30 3bwb n ALA 31 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3bwb n ALA 31 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3bwb n ALA 31 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bwb n SER 33 N -1.29 0.00 -4.09 0.00 7.64 -1.26 -4.98 113.62 109.63 3bwb n SER 33 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 3bwb n SER 33 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 3bwb n SER 33 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3bwb s LEU 34 N 0.00 1.90 0.04 -3.43 1.43 -0.49 -4.97 118.68 113.17 3bwb s LEU 34 Ca 0.00 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 3bwb s LEU 34 Cb 0.00 -0.79 -0.06 0.00 0.03 0.00 0.00 46.19 45.37 3bwb s LEU 34 CO 0.00 0.13 1.28 -0.60 0.23 0.00 0.00 176.35 177.39 3bwb s ARG 35 N -0.01 4.37 -0.15 1.70 3.52 -1.26 -0.26 118.95 126.84 3bwb s ARG 35 Ca -0.01 1.85 -0.17 0.00 -0.13 0.00 0.00 55.73 57.28 3bwb s ARG 35 Cb -0.09 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3bwb s ARG 35 CO 0.01 -0.39 0.41 0.08 -0.81 0.00 0.00 175.30 174.60 3bwb s VAL 36 N 1.54 5.22 -0.20 7.11 1.01 -0.61 -2.19 120.40 132.28 3bwb s VAL 36 Ca 0.60 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 3bwb s VAL 36 Cb -0.30 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 3bwb s VAL 36 CO 0.28 0.32 -0.04 1.21 0.00 0.00 0.00 175.10 176.87 3bwb n GLU 37 N 3.88 0.53 -3.74 2.72 4.07 0.10 -4.79 120.64 123.41 3bwb n GLU 37 Ca -0.08 0.48 -0.13 0.00 -0.06 0.00 0.00 57.16 57.37 3bwb n GLU 37 Cb 0.51 -1.67 -0.14 0.00 -0.06 0.00 0.00 31.44 30.09 3bwb n GLU 37 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 3bwb s LYS 38 N -2.40 0.12 -0.14 5.31 2.20 -1.10 -5.00 119.74 118.74 3bwb s LYS 38 Ca -0.26 0.43 -0.26 0.00 -0.36 0.00 0.00 55.97 55.52 3bwb s LYS 38 Cb 0.06 -0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.20 3bwb s LYS 38 CO 0.45 -0.17 0.83 0.08 -0.36 0.00 0.00 175.35 176.19 3bwb s VAL 39 N 1.24 4.90 -0.15 4.02 1.01 -1.26 0.36 120.40 130.52 3bwb s VAL 39 Ca -0.09 1.65 0.17 0.00 0.00 0.00 0.00 61.98 63.71 3bwb s VAL 39 Cb -0.11 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 31.88 3bwb s VAL 39 CO -0.07 0.07 0.27 0.18 0.00 0.00 0.00 175.10 175.55 3bwb n LEU 40 N 4.92 0.25 -3.64 3.92 4.77 -0.54 -4.95 117.00 121.73 3bwb n LEU 40 Ca 0.04 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 3bwb n LEU 40 Cb 0.49 0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.89 3bwb n LEU 40 CO 0.48 0.43 0.51 -0.47 -1.33 0.00 0.00 177.39 177.02 3bwb s TYR 41 N -2.58 -0.78 -0.29 -1.77 5.04 -0.16 -4.95 117.35 111.86 3bwb s TYR 41 Ca -0.08 1.70 0.03 0.00 -2.44 0.00 0.00 57.07 56.27 3bwb s TYR 41 Cb 0.07 0.42 0.18 0.00 0.35 0.00 0.00 41.96 42.99 3bwb s TYR 41 CO 0.83 -0.38 0.54 0.34 -1.34 0.00 0.00 175.55 175.54 3bwb s ASP 42 N 0.95 -1.05 -0.26 4.32 2.15 -1.26 0.42 116.67 121.94 3bwb s ASP 42 Ca -0.04 0.29 -0.33 0.00 0.43 0.00 0.00 52.55 52.89 3bwb s ASP 42 Cb -0.05 1.83 0.17 0.00 -0.30 0.00 0.00 42.92 44.57 3bwb s ASP 42 CO -0.10 -0.30 1.31 0.00 -0.17 0.00 0.00 175.17 175.91 3bwb s ALA 43 N 2.76 -2.12 1.03 3.66 0.00 -0.76 -5.03 121.76 121.30 3bwb s ALA 43 Ca 0.13 1.82 -0.11 0.00 0.00 0.00 0.00 51.96 53.80 3bwb s ALA 43 Cb -0.12 -0.89 0.20 0.00 0.00 0.00 0.00 23.12 22.30 3bwb s ALA 43 CO -0.24 -0.39 1.04 -2.30 0.00 0.00 0.00 175.76 173.86 3bwb n PRO 44 N 0.28 -1.29 -0.10 0.00 -0.02 -1.26 -1.88 135.00 130.72 3bwb n PRO 44 Ca 0.01 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 3bwb n PRO 44 Cb 0.58 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3bwb n PRO 44 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3bwb n THR 45 N -4.54 0.00 0.18 3.45 5.66 0.14 -4.75 114.28 114.43 3bwb n THR 45 Ca 0.08 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.13 3bwb n THR 45 Cb 0.53 0.00 0.52 0.00 -1.55 0.00 0.00 70.33 69.83 3bwb n THR 45 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 3bwb h LYS 46 N 0.00 0.13 0.00 1.09 3.64 -1.99 -3.37 116.57 116.07 3bwb h LYS 46 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3bwb h LYS 46 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3bwb h LYS 46 CO 0.00 0.18 -0.29 1.19 -2.27 0.00 0.00 179.45 178.25 3bwb n PHE 47 N -4.42 0.00 -3.74 1.91 3.72 -1.26 -5.07 117.46 108.61 3bwb n PHE 47 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.36 3bwb n PHE 47 Cb 0.16 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 3bwb n PHE 47 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3bwb s GLN 48 N -0.86 1.05 -0.46 -1.08 -2.07 -1.26 -4.87 119.66 110.12 3bwb s GLN 48 Ca 0.00 -0.59 -0.25 0.00 -1.82 0.00 0.00 55.36 52.70 3bwb s GLN 48 Cb 0.00 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.30 3bwb s GLN 48 CO 0.00 -0.48 0.90 -1.58 -1.32 0.00 0.00 175.29 172.80 3bwb s HIS 49 N -3.08 2.94 -0.08 9.60 5.65 -1.26 0.27 115.29 129.33 3bwb s HIS 49 Ca 0.13 0.35 -0.12 0.00 0.25 0.00 0.00 55.06 55.67 3bwb s HIS 49 Cb -0.00 -3.90 -0.05 0.00 -1.18 0.00 0.00 32.58 27.45 3bwb s HIS 49 CO 0.01 -1.07 0.30 -1.17 -0.65 0.00 0.00 174.74 172.16 3bwb s LEU 50 N 3.65 4.39 -0.21 8.88 2.96 -0.79 -0.24 118.68 137.32 3bwb s LEU 50 Ca 0.36 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 54.92 3bwb s LEU 50 Cb -0.11 -2.37 0.08 0.00 0.50 0.00 0.00 46.19 44.30 3bwb s LEU 50 CO 0.25 0.29 0.16 -0.89 -1.32 0.00 0.00 176.35 174.84 3bwb s THR 51 N -0.66 -0.18 -0.08 3.68 2.01 0.18 -1.83 115.64 118.76 3bwb s THR 51 Ca 0.19 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.93 3bwb s THR 51 Cb -0.14 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 3bwb s THR 51 CO 0.08 -0.36 -0.15 -0.63 -0.69 0.00 0.00 174.62 172.87 3bwb s ILE 52 N 2.21 2.96 0.09 1.82 1.01 0.17 0.17 121.20 129.63 3bwb s ILE 52 Ca 0.05 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 3bwb s ILE 52 Cb -0.16 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.17 3bwb s ILE 52 CO -0.17 0.56 0.43 0.72 0.00 0.00 0.00 174.94 176.48 3bwb s PHE 53 N -0.24 -0.27 -0.09 3.97 -0.12 -0.42 -0.99 117.98 119.82 3bwb s PHE 53 Ca 0.01 0.09 -0.21 0.00 -0.05 0.00 0.00 56.93 56.76 3bwb s PHE 53 Cb -0.13 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 3bwb s PHE 53 CO 0.03 -0.66 0.61 -2.00 -0.05 0.00 0.00 175.22 173.14 3bwb s GLU 54 N -3.24 4.39 0.89 1.99 2.56 0.16 -0.28 118.70 125.17 3bwb s GLU 54 Ca -0.01 0.70 -0.10 0.00 0.00 0.00 0.00 54.97 55.57 3bwb s GLU 54 Cb 0.01 -3.45 0.19 0.00 2.00 0.00 0.00 34.13 32.88 3bwb s GLU 54 CO -0.08 0.09 1.21 -1.54 -0.56 0.00 0.00 175.26 174.39 3bwb s SER 55 N 0.74 3.41 -0.13 -1.70 1.04 -0.64 -0.72 113.70 115.71 3bwb s SER 55 Ca 0.33 -0.12 -0.33 0.00 0.48 0.00 0.00 55.95 56.30 3bwb s SER 55 Cb -0.17 0.03 -0.11 0.00 0.10 0.00 0.00 66.02 65.88 3bwb s SER 55 CO 0.15 -2.51 1.97 -0.67 0.98 0.00 0.00 173.24 173.15 3bwb n ASP 56 N -3.45 3.33 -0.17 7.02 -0.08 -0.93 -4.35 116.55 117.92 3bwb n ASP 56 Ca 0.17 0.81 0.18 0.00 -1.51 0.00 0.00 54.79 54.44 3bwb n ASP 56 Cb 0.60 -1.39 0.55 0.00 2.34 0.00 0.00 41.12 43.21 3bwb n ASP 56 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3bwb h PRO 57 N 10.37 0.32 0.00 -0.67 0.11 -1.93 0.21 132.00 140.41 3bwb h PRO 57 Ca -0.45 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3bwb h PRO 57 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3bwb h PRO 57 CO 0.96 0.21 -0.25 0.87 -0.21 0.00 0.00 178.00 179.58 3bwb h LYS 58 N 0.33 0.00 -7.20 1.05 1.79 -2.02 -3.43 116.57 107.10 3bwb h LYS 58 Ca 0.40 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.37 3bwb h LYS 58 Cb 1.05 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.75 3bwb h LYS 58 CO -0.12 0.25 0.28 0.20 -1.08 0.00 0.00 179.45 178.98 3bwb s GLY 59 N -4.24 1.59 0.00 3.86 0.00 0.73 -5.03 107.32 104.23 3bwb s GLY 59 Ca -0.03 -0.37 0.25 0.00 0.00 0.00 0.00 44.72 44.57 3bwb s GLY 59 CO 0.68 -0.11 1.39 -1.55 0.00 0.00 0.00 173.10 173.51 3bwb n PRO 60 N -2.60 1.67 0.15 2.90 -0.04 -1.26 -4.49 135.00 131.33 3bwb n PRO 60 Ca 0.04 -1.24 0.01 0.00 -0.04 0.00 0.00 63.50 62.27 3bwb n PRO 60 Cb 0.55 -1.47 0.29 0.00 -0.04 0.00 0.00 33.50 32.84 3bwb n PRO 60 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3bwb h TRP 61 N 3.03 0.07 0.00 0.54 4.06 -1.95 -3.39 115.95 118.31 3bwb h TRP 61 Ca 0.00 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.93 3bwb h TRP 61 Cb 0.74 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.88 3bwb h TRP 61 CO 0.00 0.47 0.00 0.41 -3.56 0.00 0.00 178.44 175.76 3bwb n GLY 62 N -0.29 1.59 3.72 1.49 0.00 -1.26 -2.33 105.19 108.10 3bwb n GLY 62 Ca -0.02 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3bwb n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bwb s THR 63 N 0.00 4.06 0.00 2.61 2.01 -1.26 -1.62 115.64 121.45 3bwb s THR 63 Ca 0.00 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.53 3bwb s THR 63 Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3bwb s THR 63 CO 0.00 0.14 0.00 0.52 -0.69 0.00 0.00 174.62 174.59 3bwb n VAL 64 N 3.65 0.00 -3.65 3.82 0.31 0.62 -2.05 118.33 121.03 3bwb n VAL 64 Ca 0.08 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.43 3bwb n VAL 64 Cb 0.47 -0.13 -0.06 0.00 -0.91 0.00 0.00 33.84 33.20 3bwb n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bwb s ALA 66 N -2.00 -2.65 -0.20 3.52 0.00 0.13 -1.30 121.76 119.26 3bwb s ALA 66 Ca 0.00 1.90 -0.04 0.00 0.00 0.00 0.00 51.96 53.82 3bwb s ALA 66 Cb 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 3bwb s ALA 66 CO 0.00 -0.27 -0.04 -0.51 0.00 0.00 0.00 175.76 174.94 3bwb s LEU 67 N 0.84 3.02 -1.43 0.00 1.43 -0.32 -0.65 118.68 121.57 3bwb s LEU 67 Ca -0.05 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 3bwb s LEU 67 Cb -0.03 -1.75 0.05 0.00 0.03 0.00 0.00 46.19 44.49 3bwb s LEU 67 CO -0.10 0.05 1.02 0.47 0.23 0.00 0.00 176.35 178.01 3bwb n ASP 68 N 4.36 -4.68 -1.33 2.29 9.92 0.67 -2.06 116.55 125.72 3bwb n ASP 68 Ca -0.18 -0.70 -0.13 0.00 -0.53 0.00 0.00 54.79 53.26 3bwb n ASP 68 Cb 0.51 -4.36 -0.02 0.00 -0.64 0.00 0.00 41.12 36.62 3bwb n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bwb n GLY 69 N -1.75 0.26 2.75 0.44 0.00 -1.26 -4.87 105.19 100.76 3bwb n GLY 69 Ca -0.03 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 3bwb n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwb s ILE 71 N 2.00 3.04 -0.24 0.00 1.01 -1.26 -1.17 121.20 124.58 3bwb s ILE 71 Ca 0.05 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 3bwb s ILE 71 Cb -0.13 -3.07 -0.11 0.00 0.01 0.00 0.00 42.46 39.16 3bwb s ILE 71 CO -0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 174.94 174.60 3bwb n GLN 72 N 7.28 0.52 -4.23 2.79 1.13 -1.26 -4.87 117.38 118.74 3bwb n GLN 72 Ca 0.19 0.20 -0.19 0.00 -1.94 0.00 0.00 57.00 55.26 3bwb n GLN 72 Cb 0.41 -1.37 -0.15 0.00 0.11 0.00 0.00 30.24 29.23 3bwb n GLN 72 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3bwb s VAL 73 N -2.44 0.56 0.03 5.09 1.01 -1.26 -5.00 120.40 118.39 3bwb s VAL 73 Ca -0.32 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3bwb s VAL 73 Cb 0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 3bwb s VAL 73 CO 0.45 0.20 -0.07 0.42 0.00 0.00 0.00 175.10 176.09 3bwb s THR 74 N 0.39 0.47 0.54 3.92 -4.23 -1.26 -4.45 115.64 111.02 3bwb s THR 74 Ca -0.05 -0.89 0.25 0.00 -1.18 0.00 0.00 61.69 59.83 3bwb s THR 74 Cb -0.09 -0.52 0.38 0.00 1.34 0.00 0.00 72.50 73.61 3bwb s THR 74 CO 0.00 -0.29 2.01 0.44 -0.54 0.00 0.00 174.62 176.24 3bwb h ASP 75 N 4.82 0.00 0.01 3.99 3.32 -1.00 -1.99 116.42 125.57 3bwb h ASP 75 Ca -0.34 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 3bwb h ASP 75 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3bwb h ASP 75 CO 0.43 0.00 -0.01 0.22 -1.72 0.00 0.00 179.24 178.16 3bwb h TYR 76 N 0.00 -0.02 -0.05 4.55 3.20 -1.74 -3.39 116.97 119.52 3bwb h TYR 76 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3bwb h TYR 76 Cb 0.89 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.17 3bwb h TYR 76 CO 0.00 0.76 0.00 -0.40 -1.64 0.00 0.00 178.16 176.88 3bwb n ASP 77 N -4.70 2.17 -0.31 -2.11 5.75 -1.19 -4.67 116.55 111.47 3bwb n ASP 77 Ca -0.09 -1.58 0.23 0.00 -0.01 0.00 0.00 54.79 53.34 3bwb n ASP 77 Cb 0.38 -0.02 0.53 0.00 -1.03 0.00 0.00 41.12 40.97 3bwb n ASP 77 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3bwb h GLU 78 N 2.55 0.36 0.00 0.11 4.22 -1.56 -2.20 114.58 118.06 3bwb h GLU 78 Ca 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 3bwb h GLU 78 Cb 0.56 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3bwb h GLU 78 CO 0.00 0.24 -0.09 0.27 -2.18 0.00 0.00 179.01 177.24 3bwb h PHE 79 N 0.37 0.00 0.45 0.92 -5.15 -1.86 -3.20 116.94 108.47 3bwb h PHE 79 Ca 0.58 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.33 3bwb h PHE 79 Cb 1.52 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.69 3bwb h PHE 79 CO -0.00 0.09 -0.22 0.28 -2.00 0.00 0.00 178.31 176.46 3bwb h VAL 80 N 0.00 0.48 -0.77 0.88 2.07 -1.76 -1.68 116.25 115.47 3bwb h VAL 80 Ca -0.00 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 3bwb h VAL 80 Cb 0.26 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3bwb h VAL 80 CO 0.01 0.07 0.37 0.22 0.02 0.00 0.00 177.57 178.26 3bwb h TYR 81 N -0.88 1.10 -0.16 1.57 3.20 -1.74 -1.56 116.97 118.51 3bwb h TYR 81 Ca -0.06 -0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.55 3bwb h TYR 81 Cb 0.57 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3bwb h TYR 81 CO 0.01 0.80 -0.72 0.45 -1.64 0.00 0.00 178.16 177.06 3bwb h HIS 82 N 1.08 0.92 -0.30 -3.82 3.86 -1.59 -2.58 115.15 112.71 3bwb h HIS 82 Ca 0.26 -0.39 -0.18 0.00 -1.16 0.00 0.00 60.37 58.90 3bwb h HIS 82 Cb 0.11 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 3bwb h HIS 82 CO 0.01 1.19 -0.52 0.93 0.86 0.00 0.00 177.93 180.40 3bwb h GLU 83 N 0.49 0.89 0.03 2.45 5.08 -1.18 -1.94 114.58 120.39 3bwb h GLU 83 Ca -0.03 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.77 3bwb h GLU 83 Cb 1.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3bwb h GLU 83 CO 0.14 1.19 -0.01 0.28 -1.00 0.00 0.00 179.01 179.61 3bwb h VAL 84 N 0.68 1.18 0.22 3.13 2.07 -1.29 -0.26 116.25 121.98 3bwb h VAL 84 Ca 0.02 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3bwb h VAL 84 Cb 1.13 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3bwb h VAL 84 CO 0.12 0.16 -0.11 -0.07 0.02 0.00 0.00 177.57 177.69 3bwb h LEU 85 N -0.31 -0.25 -0.20 2.57 3.38 -1.56 -1.97 115.31 116.97 3bwb h LEU 85 Ca -0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3bwb h LEU 85 Cb 0.29 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3bwb h LEU 85 CO 0.01 -0.13 0.10 1.23 0.09 0.00 0.00 178.44 179.74 3bwb h GLY 86 N -0.35 0.27 0.58 0.83 0.00 -1.33 -3.28 103.07 99.79 3bwb h GLY 86 Ca -0.03 -0.08 -0.34 0.00 0.00 0.00 0.00 47.33 46.88 3bwb h GLY 86 CO 0.05 0.07 -2.01 1.42 0.00 0.00 0.00 176.54 176.07 3bwb n HIS 87 N -4.99 0.82 -0.28 5.60 8.25 -0.11 -2.97 115.22 121.54 3bwb n HIS 87 Ca -0.03 0.23 -0.02 0.00 -0.26 0.00 0.00 57.72 57.64 3bwb n HIS 87 Cb 0.05 -1.13 0.17 0.00 1.12 0.00 0.00 29.99 30.20 3bwb n HIS 87 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3bwb h THR 88 N 0.03 1.23 0.03 1.59 2.02 -1.49 0.89 112.91 117.20 3bwb h THR 88 Ca -0.41 -0.51 -0.12 0.00 0.77 0.00 0.00 66.41 66.13 3bwb h THR 88 Cb 2.04 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3bwb h THR 88 CO 0.05 0.24 -0.50 0.77 0.37 0.00 0.00 175.52 176.46 3bwb h SER 89 N 1.14 0.39 -0.39 4.18 4.64 -1.72 -3.13 113.55 118.66 3bwb h SER 89 Ca 0.30 -0.82 -0.09 0.00 -0.47 0.00 0.00 61.79 60.70 3bwb h SER 89 Cb -0.04 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3bwb h SER 89 CO -0.05 1.16 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.88 3bwb h LEU 90 N -0.34 0.78 -0.65 5.97 4.07 -1.44 -2.82 115.31 120.88 3bwb h LEU 90 Ca -0.07 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.52 3bwb h LEU 90 Cb 1.27 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.79 3bwb h LEU 90 CO 0.10 0.98 0.00 0.00 -1.08 0.00 0.00 178.44 178.43 3bwb n SER 92 N -2.11 0.68 -4.85 0.00 7.64 -1.07 -0.51 113.62 113.39 3bwb n SER 92 Ca 0.02 -0.47 -0.37 0.00 1.01 0.00 0.00 58.87 59.06 3bwb n SER 92 Cb 0.19 0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.60 3bwb n SER 92 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3bwb s HIS 93 N -2.87 3.65 0.43 1.43 5.04 -0.75 -4.69 115.29 117.53 3bwb s HIS 93 Ca 0.14 0.73 0.15 0.00 -1.54 0.00 0.00 55.06 54.55 3bwb s HIS 93 Cb 0.18 -2.11 0.97 0.00 0.04 0.00 0.00 32.58 31.66 3bwb s HIS 93 CO 0.67 0.68 1.96 -1.35 -2.34 0.00 0.00 174.74 174.35 3bwb h PRO 94 N 4.94 0.00 -0.31 2.88 0.11 -1.88 -3.41 132.00 134.33 3bwb h PRO 94 Ca -0.53 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 3bwb h PRO 94 Cb 1.22 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 3bwb h PRO 94 CO 0.60 0.22 -0.30 1.17 -0.21 0.00 0.00 178.00 179.48 3bwb n LYS 95 N -4.20 0.41 -2.36 1.05 4.81 -1.26 -4.99 118.16 111.61 3bwb n LYS 95 Ca -0.02 -1.35 -0.41 0.00 -0.87 0.00 0.00 58.31 55.65 3bwb n LYS 95 Cb 0.28 -0.81 -0.03 0.00 0.02 0.00 0.00 35.03 34.49 3bwb n LYS 95 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3bwb s PRO 96 N 0.67 3.13 -0.19 1.64 0.04 -1.26 -4.84 135.00 134.19 3bwb s PRO 96 Ca 0.28 0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.62 3bwb s PRO 96 Cb 0.14 -4.19 -0.22 0.00 0.04 0.00 0.00 34.50 30.27 3bwb s PRO 96 CO -0.13 -2.16 0.08 0.39 0.04 0.00 0.00 177.00 175.22 3bwb n GLU 97 N 8.98 0.69 -4.84 4.56 1.02 -1.26 -2.93 120.64 126.86 3bwb n GLU 97 Ca 0.11 0.19 -0.29 0.00 -0.02 0.00 0.00 57.16 57.15 3bwb n GLU 97 Cb 0.50 -1.61 -0.17 0.00 -0.02 0.00 0.00 31.44 30.14 3bwb n GLU 97 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3bwb s ARG 98 N -2.54 2.45 0.02 3.49 0.52 -1.26 -0.29 118.95 121.35 3bwb s ARG 98 Ca -0.26 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.33 3bwb s ARG 98 Cb 0.08 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.59 3bwb s ARG 98 CO 0.70 0.07 -0.15 0.08 0.02 0.00 0.00 175.30 176.02 3bwb s VAL 99 N 0.60 1.19 -0.05 3.52 1.01 -0.97 -0.32 120.40 125.38 3bwb s VAL 99 Ca -0.14 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.00 3bwb s VAL 99 Cb -0.17 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3bwb s VAL 99 CO 0.05 0.14 -0.24 -0.22 0.00 0.00 0.00 175.10 174.82 3bwb s LEU 100 N -0.87 2.04 -0.22 3.92 2.96 -0.35 -0.47 118.68 125.69 3bwb s LEU 100 Ca 0.04 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3bwb s LEU 100 Cb -0.07 -1.30 0.04 0.00 0.50 0.00 0.00 46.19 45.36 3bwb s LEU 100 CO 0.01 0.24 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.51 3bwb s ILE 101 N -0.16 1.96 -0.22 6.68 1.01 0.31 0.00 121.20 130.78 3bwb s ILE 101 Ca -0.03 -1.24 -0.19 0.00 0.00 0.00 0.00 60.65 59.20 3bwb s ILE 101 Cb -0.13 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3bwb s ILE 101 CO 0.03 0.19 0.55 -0.63 0.00 0.00 0.00 174.94 175.08 3bwb s ILE 102 N 1.25 5.07 0.00 2.92 1.09 0.15 -0.95 121.20 130.73 3bwb s ILE 102 Ca -0.03 1.01 0.00 0.00 -1.10 0.00 0.00 60.65 60.53 3bwb s ILE 102 Cb -0.17 -3.87 0.00 0.00 -1.06 0.00 0.00 42.46 37.36 3bwb s ILE 102 CO -0.08 0.13 0.00 0.61 -0.10 0.00 0.00 174.94 175.49 3bwb n GLY 103 N 4.01 0.53 3.46 6.18 0.00 0.32 -0.57 105.19 119.12 3bwb n GLY 103 Ca -0.03 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 3bwb n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwb n GLY 104 N 0.00 -0.45 0.24 -0.02 0.00 -1.25 -4.12 105.19 99.59 3bwb n GLY 104 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 3bwb n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bwb h GLY 105 N -2.53 0.43 2.00 -0.02 0.00 -1.93 -2.64 103.07 98.38 3bwb h GLY 105 Ca -0.53 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.49 3bwb h GLY 105 CO 0.52 0.28 0.00 1.29 0.00 0.00 0.00 176.54 178.64 3bwb h ASP 106 N 0.37 0.00 0.00 0.19 3.04 -1.91 -3.47 116.42 114.64 3bwb h ASP 106 Ca 0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 3bwb h ASP 106 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 3bwb h ASP 106 CO 0.03 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.84 3bwb n GLY 107 N -0.08 0.74 0.10 7.15 0.00 -0.99 -3.03 105.19 109.08 3bwb n GLY 107 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3bwb n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bwb h GLY 108 N 0.00 0.24 1.41 -0.02 0.00 -1.81 -0.80 103.07 102.09 3bwb h GLY 108 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3bwb h GLY 108 CO 0.00 0.17 -0.30 -2.08 0.00 0.00 0.00 176.54 174.33 3bwb h VAL 109 N -0.08 1.28 -0.58 4.60 2.07 -1.88 -3.02 116.25 118.64 3bwb h VAL 109 Ca 0.03 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3bwb h VAL 109 Cb 0.42 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3bwb h VAL 109 CO 0.01 0.46 0.37 0.25 0.02 0.00 0.00 177.57 178.69 3bwb h LEU 110 N 0.57 0.68 -1.29 2.57 5.85 -1.85 -1.09 115.31 120.75 3bwb h LEU 110 Ca 0.07 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3bwb h LEU 110 Cb 0.80 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 3bwb h LEU 110 CO 0.07 0.51 0.51 -0.09 -0.34 0.00 0.00 178.44 179.09 3bwb h ARG 111 N 0.79 0.88 0.09 1.25 2.43 -1.02 -0.53 114.38 118.25 3bwb h ARG 111 Ca 0.21 -0.05 -0.26 0.00 -0.81 0.00 0.00 59.98 59.07 3bwb h ARG 111 Cb -0.07 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3bwb h ARG 111 CO -0.04 0.58 -1.14 0.93 -1.51 0.00 0.00 179.97 178.78 3bwb h GLU 112 N 0.90 0.39 -0.71 0.20 4.39 -1.34 -3.18 114.58 115.23 3bwb h GLU 112 Ca 0.32 -0.54 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 3bwb h GLU 112 Cb 0.11 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3bwb h GLU 112 CO -0.10 1.21 0.27 0.28 -1.16 0.00 0.00 179.01 179.51 3bwb h VAL 113 N 0.17 1.25 0.00 3.13 2.07 -0.77 -2.86 116.25 119.25 3bwb h VAL 113 Ca -0.13 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3bwb h VAL 113 Cb 1.82 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3bwb h VAL 113 CO 0.20 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.29 3bwb n LEU 114 N -4.34 0.50 0.22 2.57 4.77 -0.25 -2.06 117.00 118.41 3bwb n LEU 114 Ca 0.05 0.63 0.06 0.00 -0.03 0.00 0.00 56.01 56.72 3bwb n LEU 114 Cb 0.19 -0.57 0.53 0.00 -2.33 0.00 0.00 43.42 41.24 3bwb n LEU 114 CO 0.40 -0.51 0.96 0.03 -1.33 0.00 0.00 177.39 176.94 3bwb h ARG 115 N 0.00 0.04 -6.35 3.23 3.08 -1.49 -3.43 114.38 109.45 3bwb h ARG 115 Ca 0.00 -0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3bwb h ARG 115 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3bwb h ARG 115 CO 0.00 0.15 0.66 -1.01 -1.07 0.00 0.00 179.97 178.70 3bwb s HIS 116 N -4.81 3.24 0.37 3.04 3.76 -0.87 -4.93 115.29 115.09 3bwb s HIS 116 Ca -0.05 1.23 0.20 0.00 -0.15 0.00 0.00 55.06 56.30 3bwb s HIS 116 Cb 0.16 -3.42 1.08 0.00 1.11 0.00 0.00 32.58 31.51 3bwb s HIS 116 CO 0.69 -1.31 1.95 0.78 -0.85 0.00 0.00 174.74 176.00 3bwb h GLY 117 N 7.86 0.00 2.00 -2.22 0.00 -1.89 -2.95 103.07 105.87 3bwb h GLY 117 Ca -0.36 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3bwb h GLY 117 CO 0.86 0.00 -0.21 -0.91 0.00 0.00 0.00 176.54 176.29 3bwb h THR 118 N 0.00 0.51 -2.88 4.70 1.35 -1.92 -3.43 112.91 111.24 3bwb h THR 118 Ca -0.00 -1.08 -0.57 0.00 -0.55 0.00 0.00 66.41 64.21 3bwb h THR 118 Cb 0.50 1.75 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 3bwb h THR 118 CO 0.03 0.20 1.20 -0.69 -0.25 0.00 0.00 175.52 176.01 3bwb s VAL 119 N -3.64 3.63 0.01 6.82 1.01 -1.11 -4.09 120.40 123.02 3bwb s VAL 119 Ca 0.01 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 3bwb s VAL 119 Cb 0.10 -3.86 -0.33 0.00 0.00 0.00 0.00 36.38 32.29 3bwb s VAL 119 CO 0.63 -0.56 0.92 -0.33 0.00 0.00 0.00 175.10 175.76 3bwb h GLU 120 N 12.09 0.44 -2.85 2.72 4.39 -0.89 -3.48 114.58 127.00 3bwb h GLU 120 Ca -0.31 -0.76 -0.10 0.00 0.34 0.00 0.00 59.36 58.53 3bwb h GLU 120 Cb 1.14 0.28 -0.19 0.00 -0.10 0.00 0.00 28.75 29.88 3bwb h GLU 120 CO 1.06 1.35 -0.17 -1.58 -1.16 0.00 0.00 179.01 178.51 3bwb s HIS 121 N -2.60 -0.28 -0.05 4.33 2.46 -1.05 -4.82 115.29 113.28 3bwb s HIS 121 Ca -0.10 0.41 -0.02 0.00 0.47 0.00 0.00 55.06 55.82 3bwb s HIS 121 Cb 0.05 0.17 0.03 0.00 -0.13 0.00 0.00 32.58 32.70 3bwb s HIS 121 CO 0.91 -0.46 0.04 0.00 -2.47 0.00 0.00 174.74 172.76 3bwb s ASP 123 N 2.05 6.64 -0.08 0.00 1.01 0.38 -1.63 116.67 125.04 3bwb s ASP 123 Ca 0.04 0.76 0.01 0.00 0.71 0.00 0.00 52.55 54.07 3bwb s ASP 123 Cb -0.12 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.63 3bwb s ASP 123 CO -0.04 0.30 -0.09 -0.22 0.21 0.00 0.00 175.17 175.33 3bwb s LEU 124 N -0.75 1.43 -0.27 1.23 0.20 -0.56 -0.53 118.68 119.44 3bwb s LEU 124 Ca 0.20 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.76 3bwb s LEU 124 Cb -0.15 -0.76 0.08 0.00 -0.43 0.00 0.00 46.19 44.93 3bwb s LEU 124 CO 0.09 -0.03 0.02 -0.69 -0.29 0.00 0.00 176.35 175.45 3bwb s VAL 125 N 1.04 1.26 0.10 1.68 1.01 -0.12 -0.14 120.40 125.23 3bwb s VAL 125 Ca -0.08 -1.32 0.10 0.00 0.00 0.00 0.00 61.98 60.68 3bwb s VAL 125 Cb -0.15 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3bwb s VAL 125 CO -0.01 -0.36 -0.26 -0.62 0.00 0.00 0.00 175.10 173.85 3bwb s ASP 126 N 1.47 3.12 0.02 3.32 -1.08 -0.90 -0.52 116.67 122.10 3bwb s ASP 126 Ca 0.02 -0.68 0.09 0.00 -0.52 0.00 0.00 52.55 51.46 3bwb s ASP 126 Cb -0.18 -0.23 -0.23 0.00 -1.46 0.00 0.00 42.92 40.82 3bwb s ASP 126 CO -0.13 0.19 0.89 -0.29 0.52 0.00 0.00 175.17 176.35 3bwb h ILE 127 N 4.04 1.17 -3.42 4.11 2.10 -1.86 -1.78 117.51 121.88 3bwb h ILE 127 Ca -0.48 -2.96 -0.67 0.00 1.08 0.00 0.00 64.86 61.83 3bwb h ILE 127 Cb 1.16 2.60 -0.16 0.00 -1.09 0.00 0.00 36.82 39.32 3bwb h ILE 127 CO 0.41 0.69 0.10 -0.62 -1.08 0.00 0.00 178.15 177.65 3bwb s ASP 128 N -6.39 6.27 0.27 2.19 -1.08 -1.26 -4.46 116.67 112.21 3bwb s ASP 128 Ca -0.03 -0.61 0.14 0.00 -0.52 0.00 0.00 52.55 51.54 3bwb s ASP 128 Cb 0.09 -2.31 0.10 0.00 -1.46 0.00 0.00 42.92 39.33 3bwb s ASP 128 CO 0.82 -0.84 1.45 1.23 0.52 0.00 0.00 175.17 178.36 3bwb h GLY 129 N 9.74 0.00 1.47 2.66 0.00 -1.98 -3.30 103.07 111.66 3bwb h GLY 129 Ca -0.26 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 3bwb h GLY 129 CO 0.93 0.00 -0.65 -2.09 0.00 0.00 0.00 176.54 174.73 3bwb h GLU 130 N 0.00 0.54 -0.66 4.80 4.57 -2.01 -2.52 114.58 119.29 3bwb h GLU 130 Ca -0.01 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3bwb h GLU 130 Cb 1.38 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 3bwb h GLU 130 CO 0.07 1.01 0.00 0.28 -1.18 0.00 0.00 179.01 179.19 3bwb n VAL 131 N -3.91 0.00 0.00 0.32 0.31 -1.25 -1.44 118.33 112.37 3bwb n VAL 131 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3bwb n VAL 131 Cb 0.66 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 3bwb n VAL 131 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3bwb n GLU 133 N 0.66 0.00 0.12 5.55 1.02 -0.95 -1.18 120.64 125.86 3bwb n GLU 133 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 3bwb n GLU 133 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.54 3bwb n GLU 133 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3bwb h GLN 134 N 0.00 0.00 -0.30 3.49 1.08 -1.54 -2.68 115.11 115.17 3bwb h GLN 134 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3bwb h GLN 134 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3bwb h GLN 134 CO 0.00 0.68 -0.14 0.77 -0.95 0.00 0.00 178.83 179.18 3bwb h SER 135 N 0.00 0.64 -0.75 1.46 0.02 -1.41 -1.19 113.55 112.33 3bwb h SER 135 Ca -0.01 -0.41 0.16 0.00 -0.84 0.00 0.00 61.79 60.69 3bwb h SER 135 Cb 1.25 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 3bwb h SER 135 CO 0.09 0.91 0.50 0.11 -1.14 0.00 0.00 176.83 177.30 3bwb h LYS 136 N 0.38 0.35 0.00 3.45 1.57 -1.79 0.15 116.57 120.69 3bwb h LYS 136 Ca 0.07 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3bwb h LYS 136 Cb 0.66 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3bwb h LYS 136 CO 0.04 0.23 -0.54 0.37 -0.57 0.00 0.00 179.45 178.98 3bwb h GLN 137 N 0.37 0.00 0.00 3.15 5.75 -1.34 -3.40 115.11 119.64 3bwb h GLN 137 Ca 0.37 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 3bwb h GLN 137 Cb 0.91 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.46 3bwb h GLN 137 CO -0.11 0.83 -1.30 0.72 -2.65 0.00 0.00 178.83 176.32 3bwb n HIS 138 N -4.56 0.00 -3.19 3.99 8.25 -0.46 -4.56 115.22 114.70 3bwb n HIS 138 Ca -0.18 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.04 3bwb n HIS 138 Cb 0.50 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.36 3bwb n HIS 138 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3bwb n PHE 139 N -1.75 2.34 -0.06 4.41 3.72 0.52 -4.95 117.46 121.69 3bwb n PHE 139 Ca 0.00 -3.93 -0.03 0.00 -0.05 0.00 0.00 57.45 53.45 3bwb n PHE 139 Cb 0.37 -0.47 0.21 0.00 -0.94 0.00 0.00 39.48 38.66 3bwb n PHE 139 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3bwb h PRO 140 N 3.55 0.67 0.00 -1.08 0.11 -1.77 -0.73 132.00 132.76 3bwb h PRO 140 Ca 0.13 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3bwb h PRO 140 Cb 0.71 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3bwb h PRO 140 CO 0.69 0.70 -0.10 1.96 -0.21 0.00 0.00 178.00 181.04 3bwb h GLN 141 N 0.63 0.00 0.08 1.05 1.08 -1.92 -1.24 115.11 114.79 3bwb h GLN 141 Ca 0.13 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.03 3bwb h GLN 141 Cb 0.42 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3bwb h GLN 141 CO 0.02 0.10 -1.55 0.82 -0.95 0.00 0.00 178.83 177.27 3bwb h ILE 142 N 0.00 0.87 -0.32 2.54 2.04 -1.76 -3.40 117.51 117.47 3bwb h ILE 142 Ca -0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.54 3bwb h ILE 142 Cb 0.31 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3bwb h ILE 142 CO 0.01 0.65 0.00 -1.54 0.00 0.00 0.00 178.15 177.28 3bwb n SER 143 N -3.93 2.51 0.04 1.72 3.41 -0.32 -3.64 113.62 113.40 3bwb n SER 143 Ca -0.29 -1.88 0.09 0.00 -0.26 0.00 0.00 58.87 56.52 3bwb n SER 143 Cb 0.88 -0.21 0.52 0.00 -0.26 0.00 0.00 64.21 65.14 3bwb n SER 143 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3bwb h ARG 144 N 3.13 0.32 0.00 4.33 2.43 -1.45 -2.77 114.38 120.36 3bwb h ARG 144 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3bwb h ARG 144 Cb 0.69 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3bwb h ARG 144 CO 0.00 0.21 0.00 -1.13 -1.51 0.00 0.00 179.97 177.54 3bwb n SER 145 N -4.48 0.74 0.29 -3.80 3.41 -1.26 -2.99 113.62 105.52 3bwb n SER 145 Ca 0.04 0.65 0.16 0.00 -0.26 0.00 0.00 58.87 59.46 3bwb n SER 145 Cb 0.20 -0.82 0.87 0.00 -0.26 0.00 0.00 64.21 64.21 3bwb n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3bwb h LEU 146 N 0.00 0.00 -2.07 1.04 3.38 -1.81 -2.35 115.31 113.50 3bwb h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bwb h LEU 146 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3bwb h LEU 146 CO 0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3bwb n ALA 147 N -2.21 2.44 -1.85 1.53 0.00 -1.16 -4.73 120.51 114.53 3bwb n ALA 147 Ca -0.02 -0.92 -0.41 0.00 0.00 0.00 0.00 53.44 52.10 3bwb n ALA 147 Cb 0.19 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 3bwb n ALA 147 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bwb s ASP 148 N -1.41 6.95 0.58 0.00 -1.08 -0.89 -4.92 116.67 115.91 3bwb s ASP 148 Ca 0.38 2.47 0.27 0.00 -0.52 0.00 0.00 52.55 55.15 3bwb s ASP 148 Cb 0.21 -2.63 1.66 0.00 -1.46 0.00 0.00 42.92 40.71 3bwb s ASP 148 CO 0.30 -0.42 2.17 -0.65 0.52 0.00 0.00 175.17 177.09 3bwb h PRO 149 N 4.17 0.00 -0.00 4.34 0.11 -1.93 -0.88 132.00 137.80 3bwb h PRO 149 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bwb h PRO 149 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3bwb h PRO 149 CO 0.70 0.00 -0.12 0.54 -0.21 0.00 0.00 178.00 178.91 3bwb n ARG 150 N -3.97 0.71 -3.84 1.05 1.74 -1.26 -4.81 116.66 106.29 3bwb n ARG 150 Ca -0.01 -0.26 -0.35 0.00 -0.77 0.00 0.00 57.85 56.46 3bwb n ARG 150 Cb 0.19 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 3bwb n ARG 150 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bwb s ALA 151 N -2.46 3.47 -0.39 7.54 0.00 -0.33 -0.69 121.76 128.89 3bwb s ALA 151 Ca 0.29 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 3bwb s ALA 151 Cb 0.20 -2.09 0.05 0.00 0.00 0.00 0.00 23.12 21.28 3bwb s ALA 151 CO 0.47 -0.03 0.21 0.99 0.00 0.00 0.00 175.76 177.40 3bwb s THR 152 N 0.75 4.23 -0.13 0.00 2.01 -0.65 -4.75 115.64 117.11 3bwb s THR 152 Ca 0.05 -1.18 -0.17 0.00 0.31 0.00 0.00 61.69 60.71 3bwb s THR 152 Cb -0.13 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3bwb s THR 152 CO 0.02 -0.35 0.42 -0.69 -0.69 0.00 0.00 174.62 173.33 3bwb s VAL 153 N 1.46 5.22 -0.04 3.82 1.01 -1.26 -1.50 120.40 129.11 3bwb s VAL 153 Ca 0.02 0.83 0.03 0.00 0.00 0.00 0.00 61.98 62.85 3bwb s VAL 153 Cb -0.21 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3bwb s VAL 153 CO 0.04 0.36 -0.13 -0.13 0.00 0.00 0.00 175.10 175.23 3bwb s ARG 154 N 0.50 1.37 -0.34 2.72 0.52 0.81 -4.97 118.95 119.56 3bwb s ARG 154 Ca 0.23 -0.45 -0.13 0.00 -0.52 0.00 0.00 55.73 54.86 3bwb s ARG 154 Cb -0.15 -1.22 -0.02 0.00 0.52 0.00 0.00 34.95 34.08 3bwb s ARG 154 CO 0.08 0.17 0.25 0.08 0.02 0.00 0.00 175.30 175.90 3bwb s VAL 155 N 0.14 5.28 -2.46 3.52 1.01 -1.26 -2.12 120.40 124.51 3bwb s VAL 155 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3bwb s VAL 155 Cb -0.10 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3bwb s VAL 155 CO 0.01 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3bwb n GLY 156 N 5.09 -1.71 3.69 4.51 0.00 -0.67 -4.98 105.19 111.12 3bwb n GLY 156 Ca -0.12 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 3bwb n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bwb s ASP 157 N -1.70 7.07 0.30 1.61 2.15 -1.26 -3.43 116.67 121.41 3bwb s ASP 157 Ca 0.00 1.82 0.13 0.00 0.43 0.00 0.00 52.55 54.93 3bwb s ASP 157 Cb 0.00 -2.56 0.45 0.00 -0.30 0.00 0.00 42.92 40.51 3bwb s ASP 157 CO 0.00 -0.55 1.65 1.23 -0.17 0.00 0.00 175.17 177.33 3bwb h GLY 158 N 7.95 0.00 0.82 2.66 0.00 -1.94 -2.43 103.07 110.14 3bwb h GLY 158 Ca -0.35 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3bwb h GLY 158 CO 0.87 0.00 -0.11 1.41 0.00 0.00 0.00 176.54 178.71 3bwb h LEU 159 N 0.00 0.47 -0.84 3.11 3.38 -1.98 -2.22 115.31 117.24 3bwb h LEU 159 Ca -0.01 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 3bwb h LEU 159 Cb 1.02 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 3bwb h LEU 159 CO 0.07 0.78 0.41 0.00 0.09 0.00 0.00 178.44 179.79 3bwb h ALA 160 N 0.71 1.08 0.01 1.53 0.00 -1.97 -2.67 119.26 117.95 3bwb h ALA 160 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bwb h ALA 160 Cb 0.60 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3bwb h ALA 160 CO 0.03 0.63 -0.01 0.35 0.00 0.00 0.00 179.25 180.26 3bwb h PHE 161 N 1.19 -0.01 -0.13 0.00 3.57 -1.37 -2.69 116.94 117.49 3bwb h PHE 161 Ca 0.29 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 3bwb h PHE 161 Cb 0.10 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3bwb h PHE 161 CO 0.01 0.27 -0.29 -0.39 -2.23 0.00 0.00 178.31 175.68 3bwb h VAL 162 N -0.30 1.25 0.00 1.41 -1.51 -1.40 -1.91 116.25 113.80 3bwb h VAL 162 Ca -0.00 -1.21 -0.09 0.00 -1.23 0.00 0.00 66.70 64.17 3bwb h VAL 162 Cb 0.29 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 3bwb h VAL 162 CO 0.00 0.36 -0.43 0.08 -1.23 0.00 0.00 177.57 176.35 3bwb h ARG 163 N 0.21 0.00 -0.24 5.19 0.11 -1.47 -2.96 114.38 115.24 3bwb h ARG 163 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3bwb h ARG 163 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 3bwb h ARG 163 CO 0.05 0.43 0.00 1.04 0.10 0.00 0.00 179.97 181.59 3bwb n GLN 164 N -3.54 2.07 -3.33 0.08 6.02 -0.99 -4.88 117.38 112.80 3bwb n GLN 164 Ca -0.00 -1.60 -0.38 0.00 -0.01 0.00 0.00 57.00 55.01 3bwb n GLN 164 Cb 0.55 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 30.31 3bwb n GLN 164 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3bwb s THR 165 N -1.70 5.10 1.06 5.09 2.01 -0.75 -5.06 115.64 121.38 3bwb s THR 165 Ca 0.35 0.98 -0.13 0.00 0.31 0.00 0.00 61.69 63.19 3bwb s THR 165 Cb 0.20 -3.81 0.22 0.00 0.01 0.00 0.00 72.50 69.11 3bwb s THR 165 CO 0.29 0.40 1.08 -2.16 -0.69 0.00 0.00 174.62 173.54 3bwb s PRO 166 N 0.13 -0.03 0.84 4.92 0.04 -1.26 -4.85 135.00 134.78 3bwb s PRO 166 Ca 0.26 0.47 -0.10 0.00 0.04 0.00 0.00 61.00 61.67 3bwb s PRO 166 Cb -0.16 -1.69 0.10 0.00 0.04 0.00 0.00 34.50 32.79 3bwb s PRO 166 CO 0.12 -3.03 1.11 -0.51 0.04 0.00 0.00 177.00 174.73 3bwb s ASP 167 N -3.37 3.78 -1.68 6.66 1.01 -1.26 -3.88 116.67 117.93 3bwb s ASP 167 Ca 0.66 1.95 -0.15 0.00 0.71 0.00 0.00 52.55 55.73 3bwb s ASP 167 Cb -0.19 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.35 3bwb s ASP 167 CO 0.58 -2.52 0.61 0.59 0.21 0.00 0.00 175.17 174.65 3bwb n ASN 168 N -3.84 -2.11 -0.02 0.27 3.02 -0.78 -4.84 115.26 106.95 3bwb n ASN 168 Ca 0.10 -1.08 -0.20 0.00 -0.03 0.00 0.00 54.58 53.37 3bwb n ASN 168 Cb 0.53 -2.46 -0.14 0.00 -0.61 0.00 0.00 39.78 37.10 3bwb n ASN 168 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3bwb n THR 169 N -4.35 1.72 -4.24 3.41 -1.04 -0.01 -4.65 114.28 105.13 3bwb n THR 169 Ca -0.02 -0.66 -0.31 0.00 -2.04 0.00 0.00 64.05 61.02 3bwb n THR 169 Cb 0.54 -1.60 -0.09 0.00 -1.82 0.00 0.00 70.33 67.35 3bwb n THR 169 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3bwb s TYR 170 N -2.56 2.92 -0.11 -1.42 2.02 0.01 -4.83 117.35 113.38 3bwb s TYR 170 Ca -0.22 -0.05 -0.10 0.00 -0.37 0.00 0.00 57.07 56.33 3bwb s TYR 170 Cb 0.07 -1.54 -0.27 0.00 -0.40 0.00 0.00 41.96 39.82 3bwb s TYR 170 CO 0.75 0.44 0.42 -0.44 -1.57 0.00 0.00 175.55 175.16 3bwb h ASP 171 N 3.79 0.42 -3.99 2.29 3.32 -0.98 0.77 116.42 122.04 3bwb h ASP 171 Ca -0.48 -0.91 -0.41 0.00 0.02 0.00 0.00 57.03 55.25 3bwb h ASP 171 Cb 1.17 -0.14 -0.29 0.00 0.22 0.00 0.00 39.33 40.29 3bwb h ASP 171 CO 0.56 1.80 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.41 3bwb s VAL 172 N -2.54 0.77 -0.17 -1.35 1.01 -1.13 -1.74 120.40 115.25 3bwb s VAL 172 Ca -0.22 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3bwb s VAL 172 Cb 0.06 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.82 3bwb s VAL 172 CO 0.77 0.23 -0.10 -0.69 0.00 0.00 0.00 175.10 175.30 3bwb s VAL 173 N -0.11 1.46 -0.32 2.92 1.01 -0.86 -1.21 120.40 123.28 3bwb s VAL 173 Ca 0.02 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 3bwb s VAL 173 Cb -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.84 3bwb s VAL 173 CO -0.00 0.27 0.15 -0.63 0.00 0.00 0.00 175.10 174.88 3bwb s ILE 174 N 1.50 4.42 -0.71 2.22 1.01 0.10 -0.93 121.20 128.81 3bwb s ILE 174 Ca 0.02 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 3bwb s ILE 174 Cb -0.15 -3.32 0.15 0.00 0.01 0.00 0.00 42.46 39.15 3bwb s ILE 174 CO -0.09 -0.01 0.76 -0.63 0.00 0.00 0.00 174.94 174.97 3bwb s ILE 175 N 1.56 5.09 -1.17 2.92 1.01 0.14 -0.68 121.20 130.09 3bwb s ILE 175 Ca 0.03 -1.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.05 3bwb s ILE 175 Cb -0.18 -4.51 0.24 0.00 0.01 0.00 0.00 42.46 38.02 3bwb s ILE 175 CO 0.05 -1.12 1.91 -0.67 0.00 0.00 0.00 174.94 175.11 3bwb n ASP 176 N 5.52 6.95 -3.60 3.58 2.03 0.26 -2.07 116.55 129.22 3bwb n ASP 176 Ca 0.02 -3.38 -0.07 0.00 0.52 0.00 0.00 54.79 51.88 3bwb n ASP 176 Cb 0.44 -1.30 -0.05 0.00 -0.72 0.00 0.00 41.12 39.50 3bwb n ASP 176 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3bwb s THR 177 N -2.30 0.00 -0.76 5.18 -1.32 -1.26 -3.89 115.64 111.29 3bwb s THR 177 Ca 0.41 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.05 3bwb s THR 177 Cb 0.14 -1.00 0.55 0.00 -1.51 0.00 0.00 72.50 70.68 3bwb s THR 177 CO -0.04 0.00 1.47 0.41 -2.21 0.00 0.00 174.62 174.24 3bwb n THR 178 N 0.59 1.76 0.00 5.08 -1.04 -1.26 -4.72 114.28 114.69 3bwb n THR 178 Ca -0.06 -1.35 0.00 0.00 -2.04 0.00 0.00 64.05 60.60 3bwb n THR 178 Cb 0.58 0.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 3bwb n THR 178 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3bwb n ASP 179 N 0.45 0.00 -4.66 8.00 2.03 -1.26 -5.12 116.55 116.00 3bwb n ASP 179 Ca 0.20 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.08 3bwb n ASP 179 Cb 0.77 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.15 3bwb n ASP 179 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3bwb s PRO 180 N 0.00 4.22 -0.12 -0.67 0.04 -1.26 -4.69 135.00 132.52 3bwb s PRO 180 Ca 0.00 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.35 3bwb s PRO 180 Cb 0.00 -3.66 0.03 0.00 0.04 0.00 0.00 34.50 30.91 3bwb s PRO 180 CO 0.00 -0.68 0.73 0.00 0.04 0.00 0.00 177.00 177.09 3bwb n ALA 181 N 6.43 -2.05 0.00 8.56 0.00 -1.26 -4.80 120.51 127.39 3bwb n ALA 181 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3bwb n ALA 181 Cb 0.46 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3bwb n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bwb n GLY 182 N -0.25 2.18 0.00 0.00 0.00 -1.26 -5.13 105.19 100.74 3bwb n GLY 182 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3bwb n GLY 182 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bwb n LEU 187 N 0.00 0.00 0.00 0.99 7.94 -1.26 -5.17 117.00 119.50 3bwb n LEU 187 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3bwb n LEU 187 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3bwb n LEU 187 CO 0.00 0.00 0.00 0.49 -1.11 0.00 0.00 177.39 176.77 3bwb n PHE 188 N 0.00 0.00 -0.08 1.96 3.01 -1.26 -5.04 117.46 116.05 3bwb n PHE 188 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 3bwb n PHE 188 Cb 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.35 3bwb n PHE 188 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3bwb h GLY 189 N 0.00 0.01 -0.15 1.37 0.00 -2.04 -3.27 103.07 98.99 3bwb h GLY 189 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.35 3bwb h GLY 189 CO 0.00 0.02 -0.52 -2.09 0.00 0.00 0.00 176.54 173.95 3bwb h GLU 190 N -0.98 -0.51 -0.76 4.80 4.81 -1.99 0.23 114.58 120.17 3bwb h GLU 190 Ca -0.17 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3bwb h GLU 190 Cb 1.16 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 3bwb h GLU 190 CO -0.10 -0.34 0.25 0.00 -0.73 0.00 0.00 179.01 178.09 3bwb h ALA 191 N -0.14 1.00 -0.31 2.92 0.00 -2.00 -2.92 119.26 117.82 3bwb h ALA 191 Ca 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3bwb h ALA 191 Cb 0.66 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3bwb h ALA 191 CO -0.46 0.67 -0.04 0.35 0.00 0.00 0.00 179.25 179.77 3bwb h PHE 192 N 1.13 0.64 0.00 0.00 3.57 -1.29 -1.66 116.94 119.33 3bwb h PHE 192 Ca 0.25 -0.13 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3bwb h PHE 192 Cb 0.29 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3bwb h PHE 192 CO 0.02 0.74 -0.52 1.88 -2.23 0.00 0.00 178.31 178.21 3bwb h TYR 193 N 0.36 0.00 -0.44 0.41 0.05 -0.65 -1.02 116.97 115.68 3bwb h TYR 193 Ca 0.08 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 3bwb h TYR 193 Cb 0.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3bwb h TYR 193 CO 0.04 0.52 0.08 0.87 -1.05 0.00 0.00 178.16 178.62 3bwb h LYS 194 N 0.00 0.72 -0.12 4.88 1.57 -1.43 -1.64 116.57 120.55 3bwb h LYS 194 Ca -0.01 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3bwb h LYS 194 Cb 1.14 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3bwb h LYS 194 CO 0.07 0.74 0.06 -0.44 -0.57 0.00 0.00 179.45 179.30 3bwb h ASP 195 N 0.58 0.09 -0.95 0.86 3.32 -0.99 -1.93 116.42 117.40 3bwb h ASP 195 Ca 0.13 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.21 3bwb h ASP 195 Cb 0.36 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 3bwb h ASP 195 CO 0.01 0.07 0.63 0.58 -1.72 0.00 0.00 179.24 178.80 3bwb h VAL 196 N 0.13 1.21 -0.75 -1.35 2.07 -1.13 -0.73 116.25 115.71 3bwb h VAL 196 Ca 0.05 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 3bwb h VAL 196 Cb 0.01 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.59 3bwb h VAL 196 CO -0.03 0.23 0.24 0.25 0.02 0.00 0.00 177.57 178.28 3bwb h LEU 197 N 1.25 1.08 -0.28 2.57 5.85 -1.13 -2.93 115.31 121.74 3bwb h LEU 197 Ca 0.36 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 3bwb h LEU 197 Cb -0.09 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.66 3bwb h LEU 197 CO -0.10 1.00 -0.51 -0.09 -0.34 0.00 0.00 178.44 178.41 3bwb h ARG 198 N 1.11 0.83 0.00 1.25 2.43 -0.68 -3.16 114.38 116.15 3bwb h ARG 198 Ca 0.24 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3bwb h ARG 198 Cb 0.30 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3bwb h ARG 198 CO -0.01 1.16 0.00 0.44 -1.51 0.00 0.00 179.97 180.05 3bwb n ILE 199 N -4.07 0.50 -2.87 1.20 -5.35 -0.34 -1.87 119.36 106.57 3bwb n ILE 199 Ca -0.05 -0.02 -0.39 0.00 -0.27 0.00 0.00 62.75 62.03 3bwb n ILE 199 Cb 0.60 -0.72 -0.06 0.00 -1.74 0.00 0.00 39.64 37.72 3bwb n ILE 199 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3bwb s LEU 200 N -3.77 4.55 0.85 7.28 1.43 -1.11 -0.81 118.68 127.11 3bwb s LEU 200 Ca 0.10 1.77 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 3bwb s LEU 200 Cb 0.14 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.89 3bwb s LEU 200 CO 0.49 0.13 1.09 -0.54 0.23 0.00 0.00 176.35 177.74 3bwb s LYS 201 N -1.40 1.59 0.38 1.70 1.02 0.27 -4.05 119.74 119.25 3bwb s LYS 201 Ca 0.41 0.97 0.15 0.00 0.02 0.00 0.00 55.97 57.52 3bwb s LYS 201 Cb -0.23 -1.84 1.01 0.00 -0.52 0.00 0.00 37.83 36.26 3bwb s LYS 201 CO 0.27 -2.05 1.80 -1.35 -0.92 0.00 0.00 175.35 173.11 3bwb h PRO 202 N -1.42 0.47 -0.76 -1.68 0.11 -1.95 0.38 132.00 127.15 3bwb h PRO 202 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3bwb h PRO 202 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3bwb h PRO 202 CO 0.53 0.31 0.02 -0.40 -0.21 0.00 0.00 178.00 178.25 3bwb n ASP 203 N -4.61 3.86 -4.77 -2.05 5.68 -1.26 -3.38 116.55 110.02 3bwb n ASP 203 Ca 0.23 -2.59 -0.37 0.00 -0.50 0.00 0.00 54.79 51.56 3bwb n ASP 203 Cb 0.74 -0.62 -0.01 0.00 -1.14 0.00 0.00 41.12 40.09 3bwb n ASP 203 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3bwb s GLY 204 N -0.47 2.77 -0.05 6.12 0.00 0.13 -4.84 107.32 110.98 3bwb s GLY 204 Ca 0.33 0.92 0.03 0.00 0.00 0.00 0.00 44.72 46.01 3bwb s GLY 204 CO 0.09 1.37 -0.14 -0.42 0.00 0.00 0.00 173.10 174.01 3bwb s ILE 205 N -1.56 3.11 -0.13 0.90 -1.09 -0.71 -2.17 121.20 119.55 3bwb s ILE 205 Ca 0.64 -0.70 0.02 0.00 -2.23 0.00 0.00 60.65 58.38 3bwb s ILE 205 Cb -0.28 -2.23 0.01 0.00 -1.58 0.00 0.00 42.46 38.38 3bwb s ILE 205 CO 0.34 0.59 -0.19 0.00 -1.23 0.00 0.00 174.94 174.45 3bwb s ASN 208 N 0.77 1.61 0.15 0.00 2.47 0.17 0.27 114.94 120.39 3bwb s ASN 208 Ca 0.03 -0.26 -0.31 0.00 0.42 0.00 0.00 52.86 52.74 3bwb s ASN 208 Cb -0.14 -0.62 -0.08 0.00 -1.45 0.00 0.00 41.25 38.96 3bwb s ASN 208 CO 0.02 0.05 1.38 0.00 -3.72 0.00 0.00 177.10 174.84 3bwb s GLN 209 N 0.46 4.33 0.43 0.43 -2.07 -0.88 0.70 119.66 123.05 3bwb s GLN 209 Ca -0.10 2.11 0.08 0.00 -1.82 0.00 0.00 55.36 55.63 3bwb s GLN 209 Cb -0.13 -3.21 -0.01 0.00 -1.09 0.00 0.00 33.01 28.57 3bwb s GLN 209 CO 0.02 -0.39 0.44 0.20 -1.32 0.00 0.00 175.29 174.24 3bwb s GLY 210 N 0.82 2.09 0.70 2.60 0.00 0.93 -4.77 107.32 109.69 3bwb s GLY 210 Ca 0.62 -1.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 3bwb s GLY 210 CO 0.34 -1.65 0.96 1.18 0.00 0.00 0.00 173.10 173.93 3bwb n GLU 211 N -1.65 -0.13 -2.57 2.90 -0.58 -1.26 -3.92 120.64 113.42 3bwb n GLU 211 Ca 0.05 -2.53 -0.38 0.00 -0.42 0.00 0.00 57.16 53.87 3bwb n GLU 211 Cb 0.61 -0.66 -0.05 0.00 -0.57 0.00 0.00 31.44 30.77 3bwb n GLU 211 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3bwb s SER 212 N -4.88 7.14 0.24 1.62 0.15 -1.26 -3.70 113.70 113.02 3bwb s SER 212 Ca 0.63 2.09 0.24 0.00 0.70 0.00 0.00 55.95 59.62 3bwb s SER 212 Cb -0.03 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.61 3bwb s SER 212 CO 0.42 -0.22 1.73 2.30 1.20 0.00 0.00 173.24 178.67 3bwb n ILE 213 N 0.70 0.77 -0.04 6.45 -5.35 -1.26 -2.31 119.36 118.32 3bwb n ILE 213 Ca 0.01 0.11 -0.21 0.00 -0.27 0.00 0.00 62.75 62.39 3bwb n ILE 213 Cb 0.47 -1.02 -0.13 0.00 -1.74 0.00 0.00 39.64 37.23 3bwb n ILE 213 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 3bwb h TRP 214 N 0.00 0.23 0.00 4.28 4.06 -1.92 -3.37 115.95 119.23 3bwb h TRP 214 Ca 0.00 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.78 3bwb h TRP 214 Cb 0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 3bwb h TRP 214 CO 0.00 1.51 -1.85 1.47 -3.56 0.00 0.00 178.44 176.01 3bwb n LEU 215 N -4.13 0.03 -2.98 -4.49 -0.00 -1.24 -4.70 117.00 99.49 3bwb n LEU 215 Ca -0.27 -0.02 -0.15 0.00 -0.00 0.00 0.00 56.01 55.57 3bwb n LEU 215 Cb 0.80 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.22 3bwb n LEU 215 CO 0.32 0.01 -0.01 -0.90 -0.00 0.00 0.00 177.39 176.80 3bwb n ASP 216 N -2.15 -0.97 -0.11 1.45 5.68 -0.98 -4.93 116.55 114.54 3bwb n ASP 216 Ca -0.03 -3.16 -0.03 0.00 -0.50 0.00 0.00 54.79 51.06 3bwb n ASP 216 Cb 0.50 0.56 0.18 0.00 -1.14 0.00 0.00 41.12 41.22 3bwb n ASP 216 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3bwb h LEU 217 N 3.50 0.75 -0.92 -2.12 5.85 -1.72 -2.95 115.31 117.70 3bwb h LEU 217 Ca -0.01 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.58 3bwb h LEU 217 Cb 0.99 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 3bwb h LEU 217 CO 0.36 0.78 0.60 -0.33 -0.34 0.00 0.00 178.44 179.51 3bwb h GLU 218 N 0.75 1.13 -0.41 1.25 3.07 -1.91 -1.72 114.58 116.73 3bwb h GLU 218 Ca 0.15 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.83 3bwb h GLU 218 Cb 0.38 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3bwb h GLU 218 CO 0.01 0.75 -0.21 1.25 -1.40 0.00 0.00 179.01 179.41 3bwb h LEU 219 N 1.16 0.89 -0.73 1.33 5.85 -1.93 -2.21 115.31 119.67 3bwb h LEU 219 Ca 0.36 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3bwb h LEU 219 Cb -0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3bwb h LEU 219 CO -0.11 1.11 0.43 0.40 -0.34 0.00 0.00 178.44 179.92 3bwb h ILE 220 N 0.68 1.21 -0.45 4.05 2.04 -1.29 -2.87 117.51 120.88 3bwb h ILE 220 Ca 0.09 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 3bwb h ILE 220 Cb 0.78 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3bwb h ILE 220 CO 0.06 0.22 -0.01 -0.08 0.00 0.00 0.00 178.15 178.35 3bwb h GLU 221 N 0.99 0.80 -0.24 2.37 4.57 -1.27 0.11 114.58 121.91 3bwb h GLU 221 Ca 0.26 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3bwb h GLU 221 Cb -0.01 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3bwb h GLU 221 CO -0.05 0.86 0.00 1.63 -1.18 0.00 0.00 179.01 180.27 3bwb n LYS 222 N -4.38 0.15 0.00 1.92 5.02 -0.84 -1.83 118.16 118.20 3bwb n LYS 222 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3bwb n LYS 222 Cb 0.31 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 3bwb n LYS 222 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3bwb n SER 224 N 0.45 0.00 0.09 4.39 2.88 0.02 -1.11 113.62 120.34 3bwb n SER 224 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3bwb n SER 224 Cb 0.04 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.66 3bwb n SER 224 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3bwb h ARG 225 N 0.00 0.25 -0.47 -1.46 0.11 -1.62 -2.81 114.38 108.38 3bwb h ARG 225 Ca 0.00 -0.15 -0.05 0.00 0.10 0.00 0.00 59.98 59.89 3bwb h ARG 225 Cb 0.00 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 3bwb h ARG 225 CO 0.00 0.71 0.12 0.35 0.10 0.00 0.00 179.97 181.26 3bwb h PHE 226 N 0.19 0.79 -0.18 4.08 3.57 -1.38 0.58 116.94 124.60 3bwb h PHE 226 Ca 0.00 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.29 3bwb h PHE 226 Cb 0.99 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3bwb h PHE 226 CO 0.02 0.72 -0.41 0.82 -2.23 0.00 0.00 178.31 177.22 3bwb h ILE 227 N 0.64 1.31 -0.26 1.41 2.04 -1.81 -0.84 117.51 119.99 3bwb h ILE 227 Ca 0.15 -1.56 -0.08 0.00 1.00 0.00 0.00 64.86 64.37 3bwb h ILE 227 Cb 0.32 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3bwb h ILE 227 CO 0.00 0.48 -0.13 -0.09 0.00 0.00 0.00 178.15 178.41 3bwb h ARG 228 N 0.34 0.56 -0.08 2.37 2.43 -1.29 -3.02 114.38 115.69 3bwb h ARG 228 Ca 0.03 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 3bwb h ARG 228 Cb 0.87 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3bwb h ARG 228 CO 0.07 0.81 -0.16 0.93 -1.51 0.00 0.00 179.97 180.11 3bwb h GLU 229 N 0.29 0.13 -0.08 0.20 5.08 -0.67 -2.55 114.58 116.98 3bwb h GLU 229 Ca 0.06 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3bwb h GLU 229 Cb 0.64 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3bwb h GLU 229 CO 0.04 0.29 -0.13 1.15 -1.00 0.00 0.00 179.01 179.36 3bwb h THR 230 N 0.12 1.14 0.00 1.13 2.02 -1.03 -3.46 112.91 112.83 3bwb h THR 230 Ca 0.02 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3bwb h THR 230 Cb 0.35 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3bwb h THR 230 CO 0.02 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.71 3bwb n GLY 231 N -1.03 0.65 3.74 2.16 0.00 -0.96 -4.92 105.19 104.83 3bwb n GLY 231 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3bwb n GLY 231 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bwb n PHE 232 N 0.00 2.81 0.14 1.61 3.72 -1.17 -4.91 117.46 119.66 3bwb n PHE 232 Ca 0.00 0.18 -0.01 0.00 -0.05 0.00 0.00 57.45 57.58 3bwb n PHE 232 Cb 0.00 -2.62 0.24 0.00 -0.94 0.00 0.00 39.48 36.16 3bwb n PHE 232 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bwb h ALA 233 N 5.45 1.13 -2.51 4.37 0.00 -0.89 -3.42 119.26 123.40 3bwb h ALA 233 Ca -0.46 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 3bwb h ALA 233 Cb 1.22 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.72 3bwb h ALA 233 CO 0.85 0.62 -0.22 -1.54 0.00 0.00 0.00 179.25 178.96 3bwb s SER 234 N -6.89 -0.28 -0.04 0.00 1.04 -0.78 -4.82 113.70 101.94 3bwb s SER 234 Ca -0.03 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3bwb s SER 234 Cb 0.13 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.70 3bwb s SER 234 CO 0.76 -0.41 -0.01 -0.69 0.98 0.00 0.00 173.24 173.87 3bwb s VAL 235 N -1.04 0.27 -0.01 5.02 1.01 -1.26 -0.46 120.40 123.92 3bwb s VAL 235 Ca -0.11 0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.95 3bwb s VAL 235 Cb -0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 3bwb s VAL 235 CO 0.04 0.17 -0.09 -1.10 0.00 0.00 0.00 175.10 174.13 3bwb s GLN 236 N 1.09 0.77 -0.27 2.72 -1.52 -0.51 -4.84 119.66 117.09 3bwb s GLN 236 Ca -0.09 -0.31 -0.12 0.00 -1.95 0.00 0.00 55.36 52.90 3bwb s GLN 236 Cb -0.14 -0.74 -0.05 0.00 -0.22 0.00 0.00 33.01 31.87 3bwb s GLN 236 CO -0.02 0.17 0.22 -0.47 -0.25 0.00 0.00 175.29 174.94 3bwb s TYR 237 N -0.10 3.25 -0.22 0.91 5.04 -1.26 0.35 117.35 125.31 3bwb s TYR 237 Ca 0.02 0.20 -0.10 0.00 -2.44 0.00 0.00 57.07 54.74 3bwb s TYR 237 Cb -0.05 -2.39 -0.05 0.00 0.35 0.00 0.00 41.96 39.82 3bwb s TYR 237 CO -0.00 -0.13 0.14 0.00 -1.34 0.00 0.00 175.55 174.22 3bwb s ALA 238 N 1.67 3.62 0.61 3.97 0.00 0.11 -4.49 121.76 127.26 3bwb s ALA 238 Ca 0.09 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.31 3bwb s ALA 238 Cb -0.15 -2.23 0.09 0.00 0.00 0.00 0.00 23.12 20.83 3bwb s ALA 238 CO 0.10 -0.02 0.84 -1.17 0.00 0.00 0.00 175.76 175.51 3bwb s LEU 239 N 0.71 3.11 -0.31 0.00 2.96 0.89 -0.78 118.68 125.26 3bwb s LEU 239 Ca 0.07 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 3bwb s LEU 239 Cb -0.12 -1.88 0.09 0.00 0.50 0.00 0.00 46.19 44.78 3bwb s LEU 239 CO 0.01 -1.47 0.05 -1.00 -1.32 0.00 0.00 176.35 172.62 3bwb s HIS 241 N -2.81 2.71 -0.29 5.38 3.76 -1.26 -4.58 115.29 118.20 3bwb s HIS 241 Ca 0.63 -2.28 0.03 0.00 -0.15 0.00 0.00 55.06 53.29 3bwb s HIS 241 Cb -0.06 -2.20 0.08 0.00 1.11 0.00 0.00 32.58 31.51 3bwb s HIS 241 CO 0.40 -0.89 -0.03 0.08 -0.85 0.00 0.00 174.74 173.45 3bwb s VAL 242 N 1.27 2.07 0.43 -0.90 1.01 -1.11 -4.95 120.40 118.21 3bwb s VAL 242 Ca 0.07 -1.85 0.11 0.00 0.00 0.00 0.00 61.98 60.32 3bwb s VAL 242 Cb -0.18 -2.35 0.20 0.00 0.00 0.00 0.00 36.38 34.05 3bwb s VAL 242 CO -0.14 -0.29 2.00 1.55 0.00 0.00 0.00 175.10 178.21 3bwb h PRO 243 N 7.75 0.18 0.00 2.72 0.13 -1.94 -2.96 132.00 137.88 3bwb h PRO 243 Ca -0.13 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3bwb h PRO 243 Cb 1.04 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3bwb h PRO 243 CO 0.48 0.26 0.00 1.79 -0.23 0.00 0.00 178.00 180.29 3bwb h THR 244 N 0.18 0.00 -3.84 1.56 1.35 -1.95 -3.42 112.91 106.79 3bwb h THR 244 Ca 0.04 -0.55 -0.51 0.00 -0.55 0.00 0.00 66.41 64.85 3bwb h THR 244 Cb 0.22 1.53 0.03 0.00 -1.73 0.00 0.00 68.15 68.20 3bwb h THR 244 CO 0.01 0.00 0.52 -0.47 -0.25 0.00 0.00 175.52 175.33 3bwb s TYR 245 N -3.15 3.40 0.18 4.73 5.04 -1.12 -4.87 117.35 121.56 3bwb s TYR 245 Ca 0.09 1.62 -0.10 0.00 -2.44 0.00 0.00 57.07 56.24 3bwb s TYR 245 Cb 0.11 -3.38 0.23 0.00 0.35 0.00 0.00 41.96 39.26 3bwb s TYR 245 CO 0.59 -0.93 1.09 -2.30 -1.34 0.00 0.00 175.55 172.66 3bwb n PRO 246 N 0.96 -0.13 0.07 4.97 -0.02 -1.26 -0.33 135.00 139.27 3bwb n PRO 246 Ca -0.00 1.09 0.11 0.00 -2.02 0.00 0.00 63.50 62.68 3bwb n PRO 246 Cb 0.44 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 3bwb n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bwb n GLY 248 N 1.22 0.87 3.13 0.00 0.00 0.56 -5.03 105.19 105.93 3bwb n GLY 248 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 3bwb n GLY 248 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bwb s SER 249 N -2.02 -1.07 0.94 1.61 1.04 -1.26 -2.76 113.70 110.18 3bwb s SER 249 Ca 0.00 -0.85 -0.14 0.00 0.48 0.00 0.00 55.95 55.44 3bwb s SER 249 Cb 0.00 1.73 0.19 0.00 0.10 0.00 0.00 66.02 68.04 3bwb s SER 249 CO 0.00 -0.20 1.29 -0.51 0.98 0.00 0.00 173.24 174.80 3bwb s ILE 250 N 1.85 2.01 0.28 -1.02 2.07 -1.26 -4.11 121.20 121.02 3bwb s ILE 250 Ca 0.16 -0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.29 3bwb s ILE 250 Cb -0.06 -2.95 0.02 0.00 0.13 0.00 0.00 42.46 39.60 3bwb s ILE 250 CO -0.08 0.00 0.45 0.61 -1.91 0.00 0.00 174.94 174.02 3bwb n GLY 251 N -3.67 1.97 3.03 1.50 0.00 -1.24 -4.74 105.19 102.04 3bwb n GLY 251 Ca 0.15 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 3bwb n GLY 251 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bwb s THR 252 N -2.60 0.73 -0.28 2.61 -1.32 0.03 -0.05 115.64 114.77 3bwb s THR 252 Ca 0.19 -0.47 -0.19 0.00 -1.21 0.00 0.00 61.69 60.01 3bwb s THR 252 Cb -0.02 -0.62 -0.02 0.00 -1.51 0.00 0.00 72.50 70.33 3bwb s THR 252 CO 0.14 0.15 0.58 -0.76 -2.21 0.00 0.00 174.62 172.52 3bwb s LEU 253 N -0.37 4.09 -0.34 9.08 1.43 0.22 0.07 118.68 132.86 3bwb s LEU 253 Ca 0.03 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 3bwb s LEU 253 Cb -0.04 -2.75 -0.00 0.00 0.03 0.00 0.00 46.19 43.42 3bwb s LEU 253 CO -0.00 -0.37 0.21 -0.69 0.23 0.00 0.00 176.35 175.73 3bwb s VAL 254 N 2.45 4.97 -0.11 -1.59 1.01 0.15 -0.65 120.40 126.63 3bwb s VAL 254 Ca 0.23 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3bwb s VAL 254 Cb -0.15 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3bwb s VAL 254 CO 0.10 -0.05 -0.17 0.00 0.00 0.00 0.00 175.10 174.98 3bwb s SER 256 N 0.30 3.72 0.02 0.00 0.15 0.40 0.31 113.70 118.59 3bwb s SER 256 Ca -0.13 -0.44 -0.20 0.00 0.70 0.00 0.00 55.95 55.88 3bwb s SER 256 Cb -0.16 -1.57 -0.17 0.00 -1.71 0.00 0.00 66.02 62.41 3bwb s SER 256 CO 0.07 0.11 1.25 0.50 1.20 0.00 0.00 173.24 176.36 3bwb h LYS 257 N 7.13 0.37 -6.51 5.44 3.64 -1.72 0.60 116.57 125.52 3bwb h LYS 257 Ca -0.30 -0.26 -0.53 0.00 -1.27 0.00 0.00 60.65 58.29 3bwb h LYS 257 Cb 1.20 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3bwb h LYS 257 CO 0.56 0.87 0.50 0.21 -2.27 0.00 0.00 179.45 179.31 3bwb s LYS 258 N -3.88 4.50 0.64 1.90 2.20 -1.22 -3.27 119.74 120.62 3bwb s LYS 258 Ca -0.14 1.68 -0.14 0.00 -0.36 0.00 0.00 55.97 57.00 3bwb s LYS 258 Cb 0.04 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 3bwb s LYS 258 CO 0.77 -0.13 1.08 0.00 -0.36 0.00 0.00 175.35 176.71 3bwb s ALA 259 N 0.73 2.61 0.00 3.13 0.00 -1.26 -3.71 121.76 123.26 3bwb s ALA 259 Ca 0.55 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3bwb s ALA 259 Cb -0.28 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3bwb s ALA 259 CO 0.30 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3bwb n GLY 260 N -1.02 0.70 3.63 0.00 0.00 -1.26 -4.98 105.19 102.26 3bwb n GLY 260 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3bwb n GLY 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bwb s VAL 261 N -3.04 4.09 -0.98 1.61 1.01 -1.24 -4.96 120.40 116.87 3bwb s VAL 261 Ca 0.00 1.23 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 3bwb s VAL 261 Cb 0.00 -4.10 0.17 0.00 0.00 0.00 0.00 36.38 32.45 3bwb s VAL 261 CO 0.00 -0.46 1.12 -0.62 0.00 0.00 0.00 175.10 175.14 3bwb s ASP 262 N 2.97 6.81 0.00 3.32 2.15 -1.26 -4.88 116.67 125.77 3bwb s ASP 262 Ca 0.58 -2.50 0.12 0.00 0.43 0.00 0.00 52.55 51.18 3bwb s ASP 262 Cb -0.18 -2.35 0.51 0.00 -0.30 0.00 0.00 42.92 40.61 3bwb s ASP 262 CO 0.24 -0.83 1.35 1.33 -0.17 0.00 0.00 175.17 177.09 3bwb n VAL 263 N 4.78 1.13 0.47 1.11 0.24 -1.26 -2.95 118.33 121.84 3bwb n VAL 263 Ca 0.25 0.28 0.12 0.00 -2.04 0.00 0.00 64.34 62.94 3bwb n VAL 263 Cb 0.47 -1.08 0.46 0.00 -1.47 0.00 0.00 33.84 32.21 3bwb n VAL 263 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3bwb n THR 264 N -1.47 0.77 -4.50 3.34 -2.24 -1.26 -4.49 114.28 104.44 3bwb n THR 264 Ca 0.03 0.13 -0.33 0.00 -2.27 0.00 0.00 64.05 61.61 3bwb n THR 264 Cb 0.13 -1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 67.20 3bwb n THR 264 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3bwb s LYS 265 N -3.23 3.40 0.29 -0.78 -0.14 -1.15 -4.16 119.74 113.96 3bwb s LYS 265 Ca 0.06 -0.66 -0.30 0.00 -1.36 0.00 0.00 55.97 53.71 3bwb s LYS 265 Cb 0.10 -2.75 -0.11 0.00 -1.68 0.00 0.00 37.83 33.39 3bwb s LYS 265 CO 0.42 0.10 1.58 -2.14 -0.76 0.00 0.00 175.35 174.56 3bwb s PRO 266 N 0.65 4.13 0.00 -1.68 0.02 -1.26 -4.91 135.00 131.96 3bwb s PRO 266 Ca -0.06 2.56 -0.18 0.00 0.02 0.00 0.00 61.00 63.34 3bwb s PRO 266 Cb -0.15 -3.03 -0.33 0.00 0.02 0.00 0.00 34.50 31.01 3bwb s PRO 266 CO 0.02 -0.62 0.98 1.25 -0.33 0.00 0.00 177.00 178.30 3bwb h LEU 267 N 4.90 0.69 -7.50 -5.54 5.85 -1.43 -3.40 115.31 108.89 3bwb h LEU 267 Ca -0.47 -0.91 -0.65 0.00 0.84 0.00 0.00 57.88 56.69 3bwb h LEU 267 Cb 1.22 -0.22 -0.41 0.00 0.37 0.00 0.00 40.66 41.62 3bwb h LEU 267 CO 0.79 1.55 -0.67 -0.13 -0.34 0.00 0.00 178.44 179.65 3bwb s ARG 268 N -2.61 1.73 0.17 1.25 0.52 0.33 -5.02 118.95 115.32 3bwb s ARG 268 Ca -0.11 -2.28 -0.34 0.00 -0.52 0.00 0.00 55.73 52.48 3bwb s ARG 268 Cb 0.03 -3.23 -0.14 0.00 0.52 0.00 0.00 34.95 32.13 3bwb s ARG 268 CO 0.90 -1.04 1.50 -2.30 0.02 0.00 0.00 175.30 174.38 3bwb n PRO 269 N 3.62 1.96 0.31 3.54 -0.02 -1.26 -4.66 135.00 138.49 3bwb n PRO 269 Ca 0.05 0.71 0.19 0.00 -2.02 0.00 0.00 63.50 62.42 3bwb n PRO 269 Cb 0.36 -2.43 0.98 0.00 -0.02 0.00 0.00 33.50 32.39 3bwb n PRO 269 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3bwb h VAL 270 N 3.44 0.19 0.00 -1.45 3.04 -1.97 -2.91 116.25 116.60 3bwb h VAL 270 Ca -0.45 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.01 3bwb h VAL 270 Cb 1.27 1.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.72 3bwb h VAL 270 CO 0.84 0.03 -0.09 -0.33 -1.01 0.00 0.00 177.57 177.00 3bwb h GLU 271 N 0.00 0.00 -2.05 4.17 3.07 -1.95 -3.38 114.58 114.44 3bwb h GLU 271 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3bwb h GLU 271 Cb 0.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 3bwb h GLU 271 CO 0.00 0.09 -0.12 -0.25 -1.40 0.00 0.00 179.01 177.34 3bwb n ASP 272 N -3.94 4.67 -0.02 1.42 8.00 -1.10 -4.91 116.55 120.66 3bwb n ASP 272 Ca -0.02 -2.29 0.00 0.00 0.71 0.00 0.00 54.79 53.18 3bwb n ASP 272 Cb 0.19 -1.10 -0.07 0.00 -0.02 0.00 0.00 41.12 40.11 3bwb n ASP 272 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3bwb n PRO 274 N 1.99 1.50 0.00 -0.24 -0.02 -1.26 -5.06 135.00 131.91 3bwb n PRO 274 Ca 0.16 -0.04 0.15 0.00 -2.02 0.00 0.00 63.50 61.75 3bwb n PRO 274 Cb 0.60 -1.22 0.82 0.00 -0.02 0.00 0.00 33.50 33.68 3bwb n PRO 274 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3bwb n PHE 275 N -2.08 0.00 -0.27 6.00 1.16 -1.26 -4.28 117.46 116.73 3bwb n PHE 275 Ca -0.08 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.58 3bwb n PHE 275 Cb 0.52 -0.15 0.23 0.00 -1.61 0.00 0.00 39.48 38.47 3bwb n PHE 275 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3bwb h ALA 276 N 3.63 1.16 0.00 1.98 0.00 -1.91 0.55 119.26 124.67 3bwb h ALA 276 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bwb h ALA 276 Cb 0.14 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3bwb h ALA 276 CO 0.00 -0.31 0.00 1.63 0.00 0.00 0.00 179.25 180.57 3bwb n LYS 277 N -5.08 0.14 0.10 0.00 4.76 -1.26 -2.45 118.16 114.37 3bwb n LYS 277 Ca 0.17 0.07 0.13 0.00 -2.87 0.00 0.00 58.31 55.81 3bwb n LYS 277 Cb 0.52 -1.50 0.28 0.00 -1.84 0.00 0.00 35.03 32.50 3bwb n LYS 277 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3bwb h ASP 278 N 0.00 0.00 -4.03 4.39 3.32 -1.18 -3.46 116.42 115.46 3bwb h ASP 278 Ca 0.00 -0.07 -0.49 0.00 0.02 0.00 0.00 57.03 56.49 3bwb h ASP 278 Cb 0.35 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.94 3bwb h ASP 278 CO 0.00 0.04 0.42 -0.76 -1.72 0.00 0.00 179.24 177.22 3bwb s LEU 279 N -4.65 3.94 -0.02 1.55 1.43 -1.03 -4.97 118.68 114.93 3bwb s LEU 279 Ca 0.08 2.08 0.16 0.00 -1.03 0.00 0.00 54.13 55.42 3bwb s LEU 279 Cb 0.12 -4.40 -0.23 0.00 0.03 0.00 0.00 46.19 41.70 3bwb s LEU 279 CO 0.65 -0.81 0.45 0.29 0.23 0.00 0.00 176.35 177.16 3bwb n LYS 280 N -0.69 0.84 0.08 1.70 5.02 -1.26 -4.86 118.16 118.98 3bwb n LYS 280 Ca 0.08 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3bwb n LYS 280 Cb 0.51 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3bwb n LYS 280 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3bwb n TYR 281 N -1.88 -0.85 -2.41 2.13 9.36 -1.26 -5.09 117.16 117.16 3bwb n TYR 281 Ca -0.01 0.15 -0.41 0.00 3.32 0.00 0.00 57.90 60.95 3bwb n TYR 281 Cb 0.38 0.21 -0.04 0.00 -0.63 0.00 0.00 39.34 39.27 3bwb n TYR 281 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3bwb s TYR 282 N -1.88 3.48 0.30 2.98 5.04 -1.26 -5.02 117.35 120.99 3bwb s TYR 282 Ca 0.00 1.61 -0.19 0.00 -2.44 0.00 0.00 57.07 56.05 3bwb s TYR 282 Cb 0.00 -3.36 0.02 0.00 0.35 0.00 0.00 41.96 38.97 3bwb s TYR 282 CO 0.00 -0.84 0.71 0.16 -1.34 0.00 0.00 175.55 174.23 3bwb s ASP 283 N -0.60 -0.16 0.55 4.32 -4.77 -1.26 -4.87 116.67 109.87 3bwb s ASP 283 Ca 0.47 -0.77 0.21 0.00 -3.30 0.00 0.00 52.55 49.16 3bwb s ASP 283 Cb -0.33 0.74 1.48 0.00 -1.09 0.00 0.00 42.92 43.72 3bwb s ASP 283 CO 0.42 -1.40 2.19 0.28 0.70 0.00 0.00 175.17 177.35 3bwb h SER 284 N 2.03 0.00 0.00 2.11 0.02 -1.98 0.29 113.55 116.02 3bwb h SER 284 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3bwb h SER 284 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3bwb h SER 284 CO 0.28 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.35 3bwb n GLU 285 N -4.28 0.33 0.00 3.45 -0.58 -1.26 -2.30 120.64 116.01 3bwb n GLU 285 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3bwb n GLU 285 Cb 0.09 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 3bwb n GLU 285 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3bwb n HIS 287 N 0.22 0.00 -0.17 -0.32 -0.00 0.09 -1.78 115.22 113.26 3bwb n HIS 287 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 3bwb n HIS 287 Cb 0.07 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.12 3bwb n HIS 287 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3bwb h LYS 288 N 0.00 0.98 -0.18 1.57 1.57 -1.62 -2.72 116.57 116.17 3bwb h LYS 288 Ca 0.00 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 3bwb h LYS 288 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3bwb h LYS 288 CO 0.00 1.00 -0.18 0.00 -0.57 0.00 0.00 179.45 179.69 3bwb h ALA 289 N 1.04 1.37 -0.38 3.86 0.00 -1.63 -3.17 119.26 120.34 3bwb h ALA 289 Ca 0.15 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3bwb h ALA 289 Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3bwb h ALA 289 CO 0.04 0.43 0.26 0.66 0.00 0.00 0.00 179.25 180.64 3bwb h SER 290 N 0.28 0.41 0.25 0.00 4.64 -1.73 -1.94 113.55 115.46 3bwb h SER 290 Ca 0.05 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3bwb h SER 290 Cb 0.49 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3bwb h SER 290 CO 0.03 0.30 -0.08 0.49 -0.87 0.00 0.00 176.83 176.70 3bwb n PHE 291 N -4.48 0.00 -2.83 4.77 3.72 -1.20 -0.08 117.46 117.37 3bwb n PHE 291 Ca 0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 3bwb n PHE 291 Cb 0.09 -0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 38.46 3bwb n PHE 291 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bwb s ALA 292 N -2.33 3.38 0.06 4.37 0.00 -0.73 -4.95 121.76 121.56 3bwb s ALA 292 Ca 0.33 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.78 3bwb s ALA 292 Cb 0.20 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3bwb s ALA 292 CO 0.44 -1.68 0.05 -0.51 0.00 0.00 0.00 175.76 174.06 3bwb s LEU 293 N 3.49 3.71 0.73 0.00 1.43 -1.26 -4.93 118.68 121.85 3bwb s LEU 293 Ca 0.37 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.29 3bwb s LEU 293 Cb -0.12 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 3bwb s LEU 293 CO 0.20 0.20 0.60 -2.65 0.23 0.00 0.00 176.35 174.93 3bwb n PRO 294 N 0.73 0.31 -0.14 1.29 -0.02 -1.26 -4.60 135.00 131.31 3bwb n PRO 294 Ca -0.11 0.15 -0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3bwb n PRO 294 Cb 0.52 -1.90 0.26 0.00 -0.02 0.00 0.00 33.50 32.36 3bwb n PRO 294 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bwb h ARG 295 N -0.39 0.83 0.00 -0.52 3.08 -1.99 -0.97 114.38 114.42 3bwb h ARG 295 Ca -0.46 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 3bwb h ARG 295 Cb 1.34 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 3bwb h ARG 295 CO 0.43 0.63 -0.01 0.27 -1.07 0.00 0.00 179.97 180.22 3bwb h PHE 296 N 0.84 0.00 -0.08 3.04 -5.15 -2.02 -2.69 116.94 110.87 3bwb h PHE 296 Ca 0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.98 3bwb h PHE 296 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.22 3bwb h PHE 296 CO 0.01 0.01 0.00 0.00 -2.00 0.00 0.00 178.31 176.33 3bwb n ALA 297 N -2.12 2.15 0.30 12.09 0.00 -0.48 -4.74 120.51 127.71 3bwb n ALA 297 Ca -0.02 -0.93 0.16 0.00 0.00 0.00 0.00 53.44 52.66 3bwb n ALA 297 Cb 0.15 -0.13 0.65 0.00 0.00 0.00 0.00 19.45 20.12 3bwb n ALA 297 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3bwb h ARG 298 N 0.64 0.00 0.00 0.00 0.11 -0.89 -2.73 114.38 111.50 3bwb h ARG 298 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3bwb h ARG 298 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 3bwb h ARG 298 CO 0.00 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 177.68 3bwb n HIS 299 N -2.96 0.45 -0.13 4.08 1.44 -1.26 -2.38 115.22 114.46 3bwb n HIS 299 Ca 0.01 0.20 -0.12 0.00 -2.01 0.00 0.00 57.72 55.80 3bwb n HIS 299 Cb 0.30 -0.82 -0.02 0.00 0.12 0.00 0.00 29.99 29.57 3bwb n HIS 299 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 3bwb h ILE 300 N 0.00 1.28 0.00 0.61 2.04 -1.87 -3.35 117.51 116.22 3bwb h ILE 300 Ca 0.00 -1.32 -0.10 0.00 1.00 0.00 0.00 64.86 64.44 3bwb h ILE 300 Cb 0.18 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3bwb h ILE 300 CO 0.00 0.44 -1.69 0.59 0.00 0.00 0.00 178.15 177.50 3bwb n ASN 301 N -4.24 0.41 0.00 1.72 3.02 -1.04 -4.81 115.26 110.32 3bwb n ASN 301 Ca -0.01 0.17 0.07 0.00 -0.03 0.00 0.00 54.58 54.77 3bwb n ASN 301 Cb 0.42 1.04 0.41 0.00 -0.61 0.00 0.00 39.78 41.05 3bwb n ASN 301 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23