#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buj n LEU 6 N 0.00 0.40 -4.75 3.41 4.77 -1.26 -4.86 117.00 114.71 2buj n LEU 6 Ca 0.00 0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.84 2buj n LEU 6 Cb 0.00 0.02 0.13 0.00 -2.33 0.00 0.00 43.42 41.24 2buj n LEU 6 CO 0.00 -0.02 0.68 -0.31 -1.33 0.00 0.00 177.39 176.42 2buj s TYR 7 N -3.33 2.48 0.02 -1.77 1.51 -1.26 -5.10 117.35 109.90 2buj s TYR 7 Ca -0.05 1.16 0.01 0.00 -1.01 0.00 0.00 57.07 57.18 2buj s TYR 7 Cb 0.11 -3.18 -0.02 0.00 -0.11 0.00 0.00 41.96 38.77 2buj s TYR 7 CO 0.85 -2.24 -0.04 -0.59 -1.11 0.00 0.00 175.55 172.41 2buj s PHE 8 N -3.04 0.38 0.49 2.71 -0.12 -1.26 -5.15 117.98 111.99 2buj s PHE 8 Ca 0.63 -0.37 -0.22 0.00 -0.05 0.00 0.00 56.93 56.92 2buj s PHE 8 Cb -0.17 -0.24 -0.07 0.00 -0.63 0.00 0.00 43.02 41.91 2buj s PHE 8 CO 0.56 -0.10 1.19 -0.65 -0.05 0.00 0.00 175.22 176.17 2buj s GLN 9 N -1.06 3.59 0.20 1.99 1.11 -1.26 -5.05 119.66 119.18 2buj s GLN 9 Ca -0.09 1.82 -0.20 0.00 0.01 0.00 0.00 55.36 56.91 2buj s GLN 9 Cb -0.07 -2.32 0.04 0.00 -1.01 0.00 0.00 33.01 29.65 2buj s GLN 9 CO -0.00 -0.71 0.59 0.20 0.01 0.00 0.00 175.29 175.38 2buj s GLY 10 N -1.36 -0.27 -0.06 3.09 0.00 -1.26 -5.16 107.32 102.31 2buj s GLY 10 Ca 0.66 -0.01 0.04 0.00 0.00 0.00 0.00 44.72 45.42 2buj s GLY 10 CO 0.35 -0.09 -0.17 0.30 0.00 0.00 0.00 173.10 173.49 2buj s HIS 11 N -3.84 2.62 0.24 1.90 3.76 -1.26 -5.05 115.29 113.65 2buj s HIS 11 Ca 0.07 -0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 54.57 2buj s HIS 11 Cb -0.02 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 2buj s HIS 11 CO -0.04 0.04 0.32 0.00 -0.85 0.00 0.00 174.74 174.21 2buj s MET 12 N -0.48 1.44 0.12 1.40 0.23 -1.26 -0.84 119.30 119.90 2buj s MET 12 Ca 0.06 -1.49 -0.01 0.00 -1.03 0.00 0.00 55.69 53.23 2buj s MET 12 Cb -0.12 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 2buj s MET 12 CO 0.01 -0.55 0.03 0.14 -2.03 0.00 0.00 175.02 172.63 2buj s VAL 13 N -3.97 0.22 -0.13 5.16 -7.23 -0.68 -4.97 120.40 108.80 2buj s VAL 13 Ca 0.31 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2buj s VAL 13 Cb 0.03 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 2buj s VAL 13 CO 0.12 -0.57 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.54 2buj s ILE 14 N -3.96 2.65 -0.05 -0.62 -1.09 -1.26 -0.70 121.20 116.18 2buj s ILE 14 Ca 0.21 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 2buj s ILE 14 Cb 0.07 -2.09 0.03 0.00 -1.58 0.00 0.00 42.46 38.89 2buj s ILE 14 CO -0.00 0.53 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.60 2buj s ILE 15 N 0.46 0.35 -1.41 2.92 1.01 0.49 -4.80 121.20 120.22 2buj s ILE 15 Ca -0.12 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 2buj s ILE 15 Cb -0.16 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.86 2buj s ILE 15 CO 0.05 0.21 0.40 -0.67 0.00 0.00 0.00 174.94 174.93 2buj n ASP 16 N 4.46 -0.40 -1.51 3.58 2.03 -1.26 -1.08 116.55 122.37 2buj n ASP 16 Ca -0.19 -1.03 -0.18 0.00 0.52 0.00 0.00 54.79 53.91 2buj n ASP 16 Cb 0.50 -2.93 -0.06 0.00 -0.72 0.00 0.00 41.12 37.91 2buj n ASP 16 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2buj n ASN 17 N -2.96 -5.18 -4.15 1.67 4.13 -1.26 -5.00 115.26 102.51 2buj n ASN 17 Ca -0.30 0.36 -0.23 0.00 1.68 0.00 0.00 54.58 56.08 2buj n ASN 17 Cb 0.68 -4.26 -0.15 0.00 -1.54 0.00 0.00 39.78 34.51 2buj n ASN 17 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2buj s LYS 18 N -3.79 1.24 -0.13 3.52 1.02 -0.24 -5.11 119.74 116.24 2buj s LYS 18 Ca 0.00 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.23 2buj s LYS 18 Cb 0.00 -1.22 -0.05 0.00 -0.52 0.00 0.00 37.83 36.04 2buj s LYS 18 CO 0.00 0.33 0.27 -1.01 -0.92 0.00 0.00 175.35 174.02 2buj s HIS 19 N -0.50 3.52 -0.03 3.18 3.76 -1.26 -0.38 115.29 123.58 2buj s HIS 19 Ca 0.06 0.63 0.06 0.00 -0.15 0.00 0.00 55.06 55.65 2buj s HIS 19 Cb -0.07 -2.26 -0.01 0.00 1.11 0.00 0.00 32.58 31.35 2buj s HIS 19 CO -0.00 0.38 -0.21 0.71 -0.85 0.00 0.00 174.74 174.77 2buj s TYR 20 N -0.01 1.98 -0.20 1.40 1.51 0.12 -2.11 117.35 120.04 2buj s TYR 20 Ca 0.17 -0.46 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 2buj s TYR 20 Cb -0.13 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.37 2buj s TYR 20 CO 0.05 -0.09 0.16 -1.17 -1.11 0.00 0.00 175.55 173.38 2buj s LEU 21 N -0.33 4.20 0.32 -1.29 2.96 0.61 -1.69 118.68 123.46 2buj s LEU 21 Ca 0.04 0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.90 2buj s LEU 21 Cb -0.10 -2.14 -0.11 0.00 0.50 0.00 0.00 46.19 44.35 2buj s LEU 21 CO 0.01 0.15 1.49 0.12 -1.32 0.00 0.00 176.35 176.79 2buj s PHE 22 N 0.51 2.79 0.04 5.38 5.36 -0.02 -1.00 117.98 131.03 2buj s PHE 22 Ca 0.09 1.04 -0.02 0.00 -0.96 0.00 0.00 56.93 57.09 2buj s PHE 22 Cb -0.12 -3.95 -0.01 0.00 -0.34 0.00 0.00 43.02 38.61 2buj s PHE 22 CO -0.00 -2.97 -0.03 -0.89 -1.46 0.00 0.00 175.22 169.87 2buj n ILE 23 N 1.45 0.75 -3.60 3.12 2.08 -0.19 -4.77 119.36 118.21 2buj n ILE 23 Ca 0.04 0.25 -0.10 0.00 0.56 0.00 0.00 62.75 63.50 2buj n ILE 23 Cb 0.39 -1.44 -0.03 0.00 -0.75 0.00 0.00 39.64 37.81 2buj n ILE 23 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2buj s GLN 24 N -1.67 1.37 0.11 0.38 -2.07 -1.16 -5.01 119.66 111.61 2buj s GLN 24 Ca -0.02 -0.68 -0.31 0.00 -1.82 0.00 0.00 55.36 52.53 2buj s GLN 24 Cb 0.00 0.56 -0.07 0.00 -1.09 0.00 0.00 33.01 32.42 2buj s GLN 24 CO 0.04 -0.60 1.24 -1.59 -1.32 0.00 0.00 175.29 173.05 2buj s LYS 25 N -3.82 4.43 -0.17 9.60 -2.85 -1.26 0.12 119.74 125.79 2buj s LYS 25 Ca 0.05 1.86 0.14 0.00 -1.00 0.00 0.00 55.97 57.02 2buj s LYS 25 Cb -0.02 -3.30 -0.24 0.00 -2.06 0.00 0.00 37.83 32.22 2buj s LYS 25 CO -0.07 -0.25 0.16 1.28 0.10 0.00 0.00 175.35 176.58 2buj n LEU 26 N 3.54 0.64 0.00 2.77 4.77 -0.28 -4.81 117.00 123.63 2buj n LEU 26 Ca 0.08 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2buj n LEU 26 Cb 0.45 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2buj n LEU 26 CO 0.56 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2buj n GLY 27 N 1.78 -0.17 0.00 -0.72 0.00 -1.07 -4.99 105.19 100.02 2buj n GLY 27 Ca -0.31 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2buj n GLY 27 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2buj n GLU 28 N 0.00 0.00 0.00 1.61 0.28 -1.26 -1.70 120.64 119.57 2buj n GLU 28 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2buj n GLU 28 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2buj n GLU 28 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2buj n PHE 31 N 0.00 0.00 -3.82 -1.84 -0.00 -1.26 -4.97 117.46 105.57 2buj n PHE 31 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.33 2buj n PHE 31 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.39 2buj n PHE 31 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2buj s SER 32 N 0.00 -0.07 0.19 5.98 1.04 -1.26 -2.67 113.70 116.90 2buj s SER 32 Ca 0.00 -0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.42 2buj s SER 32 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 2buj s SER 32 CO 0.00 -0.41 0.08 -0.31 0.98 0.00 0.00 173.24 173.58 2buj s TYR 33 N -1.40 2.99 -0.07 5.02 4.12 -0.32 -4.96 117.35 122.73 2buj s TYR 33 Ca -0.14 -0.10 0.02 0.00 0.02 0.00 0.00 57.07 56.87 2buj s TYR 33 Cb -0.06 -1.41 0.02 0.00 -1.52 0.00 0.00 41.96 38.98 2buj s TYR 33 CO 0.03 0.53 -0.11 0.08 0.02 0.00 0.00 175.55 176.10 2buj s VAL 34 N -1.86 1.03 0.00 0.71 1.01 -0.69 -0.01 120.40 120.59 2buj s VAL 34 Ca 0.30 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.95 2buj s VAL 34 Cb -0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2buj s VAL 34 CO 0.21 0.34 -0.24 -1.81 0.00 0.00 0.00 175.10 173.60 2buj s ASP 35 N 0.80 3.28 -0.17 3.32 1.01 0.30 -1.13 116.67 124.08 2buj s ASP 35 Ca -0.12 -0.47 -0.25 0.00 0.71 0.00 0.00 52.55 52.42 2buj s ASP 35 Cb -0.15 -0.41 -0.01 0.00 1.01 0.00 0.00 42.92 43.35 2buj s ASP 35 CO 0.02 0.30 0.82 -0.22 0.21 0.00 0.00 175.17 176.30 2buj s LEU 36 N -0.89 4.17 0.13 1.23 2.96 0.12 -0.05 118.68 126.35 2buj s LEU 36 Ca 0.11 1.15 0.05 0.00 -0.22 0.00 0.00 54.13 55.22 2buj s LEU 36 Cb -0.10 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 2buj s LEU 36 CO 0.01 -0.40 -0.12 0.68 -1.32 0.00 0.00 176.35 175.20 2buj s VAL 37 N 2.16 1.24 -0.12 1.68 -7.23 0.48 -1.02 120.40 117.59 2buj s VAL 37 Ca 0.38 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2buj s VAL 37 Cb -0.16 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 2buj s VAL 37 CO 0.12 -0.55 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.49 2buj s GLU 38 N -3.06 3.26 -0.02 4.82 2.12 -0.17 -0.16 118.70 125.49 2buj s GLU 38 Ca 0.11 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 2buj s GLU 38 Cb -0.02 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 2buj s GLU 38 CO 0.02 0.18 0.99 0.20 -0.54 0.00 0.00 175.26 176.11 2buj s GLY 39 N 0.41 2.81 0.03 -1.50 0.00 -0.27 -0.28 107.32 108.51 2buj s GLY 39 Ca -0.13 0.52 0.25 0.00 0.00 0.00 0.00 44.72 45.36 2buj s GLY 39 CO 0.06 1.73 1.40 1.04 0.00 0.00 0.00 173.10 177.33 2buj n LEU 40 N 4.09 0.53 0.08 0.66 4.77 -0.90 -1.28 117.00 124.94 2buj n LEU 40 Ca 0.07 0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.89 2buj n LEU 40 Cb 0.51 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 2buj n LEU 40 CO 0.52 0.08 -0.02 1.12 -1.33 0.00 0.00 177.39 177.77 2buj h HIS 41 N 0.00 0.76 0.00 -1.77 2.07 -1.92 -3.42 115.15 110.87 2buj h HIS 41 Ca 0.00 -0.52 0.00 0.00 -2.85 0.00 0.00 60.37 57.00 2buj h HIS 41 Cb 0.56 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.49 2buj h HIS 41 CO 0.00 1.39 0.00 -0.40 -3.07 0.00 0.00 177.93 175.85 2buj n ASP 42 N -3.97 0.00 0.00 3.10 5.75 -1.24 -5.03 116.55 115.16 2buj n ASP 42 Ca -0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 2buj n ASP 42 Cb 0.91 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 41.98 2buj n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2buj n GLY 43 N 0.99 2.41 3.84 6.12 0.00 -0.40 -5.03 105.19 113.11 2buj n GLY 43 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2buj n GLY 43 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2buj s HIS 44 N -2.33 3.36 0.07 1.61 3.76 -1.26 -4.71 115.29 115.79 2buj s HIS 44 Ca 0.00 1.39 0.01 0.00 -0.15 0.00 0.00 55.06 56.31 2buj s HIS 44 Cb 0.00 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 2buj s HIS 44 CO 0.00 -0.86 0.20 -0.06 -0.85 0.00 0.00 174.74 173.17 2buj s PHE 45 N -2.95 3.47 0.06 1.40 0.40 -1.26 -1.11 117.98 117.98 2buj s PHE 45 Ca 0.58 0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 57.07 2buj s PHE 45 Cb -0.12 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 2buj s PHE 45 CO 0.48 0.57 0.06 0.71 0.70 0.00 0.00 175.22 177.74 2buj s TYR 46 N -1.53 0.34 -0.25 0.36 1.51 0.77 -3.28 117.35 115.28 2buj s TYR 46 Ca 0.34 -0.80 -0.05 0.00 -1.01 0.00 0.00 57.07 55.55 2buj s TYR 46 Cb -0.13 -0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 41.48 2buj s TYR 46 CO 0.27 -0.42 0.02 0.00 -1.11 0.00 0.00 175.55 174.31 2buj s ALA 47 N -3.56 2.96 -0.37 3.71 0.00 0.21 -0.39 121.76 124.33 2buj s ALA 47 Ca 0.03 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 2buj s ALA 47 Cb 0.05 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.28 2buj s ALA 47 CO -0.09 -0.61 0.19 -1.17 0.00 0.00 0.00 175.76 174.08 2buj s LEU 48 N 1.51 4.65 -0.22 0.00 2.96 0.92 -1.02 118.68 127.48 2buj s LEU 48 Ca 0.05 -1.05 -0.16 0.00 -0.22 0.00 0.00 54.13 52.75 2buj s LEU 48 Cb -0.15 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2buj s LEU 48 CO -0.00 -0.38 0.39 -0.75 -1.32 0.00 0.00 176.35 174.29 2buj s LYS 49 N 1.51 4.13 -0.19 1.98 2.20 0.28 -0.54 119.74 129.12 2buj s LYS 49 Ca 0.01 0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 2buj s LYS 49 Cb -0.19 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.57 2buj s LYS 49 CO 0.06 -0.10 -0.14 1.03 -0.36 0.00 0.00 175.35 175.84 2buj s ARG 50 N 1.50 3.15 -0.19 4.03 0.52 0.98 -1.01 118.95 127.94 2buj s ARG 50 Ca 0.18 -0.75 -0.07 0.00 -0.52 0.00 0.00 55.73 54.57 2buj s ARG 50 Cb -0.15 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 2buj s ARG 50 CO 0.08 -0.16 0.05 0.42 0.02 0.00 0.00 175.30 175.70 2buj s ILE 51 N 1.26 4.59 -0.06 1.52 1.01 0.85 -1.18 121.20 129.21 2buj s ILE 51 Ca 0.03 -0.10 -0.26 0.00 0.00 0.00 0.00 60.65 60.32 2buj s ILE 51 Cb -0.14 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2buj s ILE 51 CO -0.07 0.45 0.81 -0.76 0.00 0.00 0.00 174.94 175.37 2buj s LEU 52 N 0.51 4.32 -0.14 2.97 1.02 -1.09 -0.96 118.68 125.32 2buj s LEU 52 Ca 0.02 1.35 -0.00 0.00 0.02 0.00 0.00 54.13 55.52 2buj s LEU 52 Cb -0.13 -3.27 -0.01 0.00 0.02 0.00 0.00 46.19 42.80 2buj s LEU 52 CO 0.01 -0.20 -0.12 0.00 0.02 0.00 0.00 176.35 176.06 2buj n HIS 54 N 3.62 0.00 -4.44 0.00 8.25 -1.26 -4.34 115.22 117.05 2buj n HIS 54 Ca -0.18 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.07 2buj n HIS 54 Cb 0.53 -0.21 -0.11 0.00 1.12 0.00 0.00 29.99 31.32 2buj n HIS 54 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2buj s GLU 55 N -2.23 1.62 0.25 -0.41 0.41 -1.26 -5.05 118.70 112.02 2buj s GLU 55 Ca -0.02 -1.89 -0.05 0.00 -0.41 0.00 0.00 54.97 52.60 2buj s GLU 55 Cb 0.02 -0.83 0.27 0.00 -1.78 0.00 0.00 34.13 31.82 2buj s GLU 55 CO 0.22 -0.18 1.85 0.37 -0.49 0.00 0.00 175.26 177.03 2buj h GLN 56 N 2.16 1.13 -1.08 1.61 5.75 -2.01 -2.46 115.11 120.20 2buj h GLN 56 Ca -0.40 -0.16 0.29 0.00 -0.15 0.00 0.00 58.65 58.23 2buj h GLN 56 Cb 1.24 -0.21 -0.09 0.00 1.07 0.00 0.00 27.48 29.50 2buj h GLN 56 CO 0.69 0.87 0.71 1.96 -2.65 0.00 0.00 178.83 180.40 2buj h GLN 57 N 1.12 0.29 -0.23 1.69 7.50 -1.99 -1.70 115.11 121.80 2buj h GLN 57 Ca 0.27 -0.02 -0.14 0.00 0.50 0.00 0.00 58.65 59.26 2buj h GLN 57 Cb 0.11 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.58 2buj h GLN 57 CO -0.03 0.19 -0.40 -0.44 -1.50 0.00 0.00 178.83 176.64 2buj h ASP 58 N 0.30 0.75 -0.48 1.46 3.32 -1.83 0.05 116.42 119.98 2buj h ASP 58 Ca 0.60 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2buj h ASP 58 Cb 1.71 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 2buj h ASP 58 CO -0.25 1.14 0.30 0.03 -1.72 0.00 0.00 179.24 178.74 2buj h ARG 59 N 0.38 0.66 -0.03 3.56 3.08 -1.40 -2.33 114.38 118.30 2buj h ARG 59 Ca 0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2buj h ARG 59 Cb 1.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2buj h ARG 59 CO 0.09 0.46 -0.09 0.93 -1.07 0.00 0.00 179.97 180.29 2buj h GLU 60 N 0.67 0.12 -0.63 0.04 5.08 -0.96 -1.58 114.58 117.33 2buj h GLU 60 Ca 0.18 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2buj h GLU 60 Cb -0.03 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2buj h GLU 60 CO -0.03 0.69 0.42 0.93 -1.00 0.00 0.00 179.01 180.02 2buj h GLU 61 N -0.43 0.51 0.17 2.33 3.07 -0.94 -0.78 114.58 118.52 2buj h GLU 61 Ca -0.00 -0.03 -0.30 0.00 -0.50 0.00 0.00 59.36 58.53 2buj h GLU 61 Cb 0.70 -0.12 0.03 0.00 -0.84 0.00 0.00 28.75 28.52 2buj h GLU 61 CO 0.02 0.34 -1.28 0.00 -1.40 0.00 0.00 179.01 176.69 2buj h ALA 62 N 1.67 -0.07 -0.52 3.43 0.00 -1.36 -2.50 119.26 119.90 2buj h ALA 62 Ca 0.28 -0.79 0.10 0.00 0.00 0.00 0.00 54.91 54.50 2buj h ALA 62 Cb 0.42 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2buj h ALA 62 CO -0.09 0.65 0.04 1.96 0.00 0.00 0.00 179.25 181.81 2buj h GLN 63 N 0.16 0.16 0.06 0.00 1.08 -1.06 -1.39 115.11 114.12 2buj h GLN 63 Ca -0.21 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 2buj h GLN 63 Cb 1.97 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 29.34 2buj h GLN 63 CO 0.24 0.10 -0.21 -0.09 -0.95 0.00 0.00 178.83 177.93 2buj h ARG 64 N 0.16 -0.35 0.19 1.46 2.43 -1.10 0.59 114.38 117.75 2buj h ARG 64 Ca 0.27 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2buj h ARG 64 Cb 0.40 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2buj h ARG 64 CO -0.41 -0.24 -0.14 1.49 -1.51 0.00 0.00 179.97 179.17 2buj h GLU 65 N -0.37 -0.32 -0.85 0.20 4.81 -1.30 -0.72 114.58 116.03 2buj h GLU 65 Ca 0.04 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.49 2buj h GLU 65 Cb 0.42 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 29.75 2buj h GLU 65 CO -0.15 -0.21 0.34 0.00 -0.73 0.00 0.00 179.01 178.25 2buj h ALA 66 N 0.46 1.29 -0.44 2.92 0.00 -0.97 -1.41 119.26 121.10 2buj h ALA 66 Ca -0.01 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2buj h ALA 66 Cb 0.30 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2buj h ALA 66 CO -0.01 -0.31 -0.05 -0.44 0.00 0.00 0.00 179.25 178.45 2buj h ASP 67 N 0.40 0.73 -0.70 0.00 3.32 0.25 -2.59 116.42 117.84 2buj h ASP 67 Ca 0.51 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.40 2buj h ASP 67 Cb 0.91 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.22 2buj h ASP 67 CO -0.50 0.83 0.43 0.24 -1.72 0.00 0.00 179.24 178.52 2buj h MET 68 N 0.70 0.81 -0.83 3.56 2.86 -0.08 -2.28 114.93 119.66 2buj h MET 68 Ca 0.13 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2buj h MET 68 Cb 0.50 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2buj h MET 68 CO 0.03 0.54 0.55 0.45 1.06 0.00 0.00 176.91 179.53 2buj h HIS 69 N 0.83 1.04 -0.03 -0.22 3.86 -1.06 -2.78 115.15 116.79 2buj h HIS 69 Ca 0.29 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2buj h HIS 69 Cb 0.05 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.16 2buj h HIS 69 CO -0.05 0.66 0.00 2.89 0.86 0.00 0.00 177.93 182.29 2buj n ARG 70 N -4.41 1.70 0.29 2.45 1.85 -1.00 -2.85 116.66 114.68 2buj n ARG 70 Ca 0.09 -1.02 0.16 0.00 -1.00 0.00 0.00 57.85 56.09 2buj n ARG 70 Cb 0.03 -1.47 0.87 0.00 -1.05 0.00 0.00 32.46 30.83 2buj n ARG 70 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2buj h LEU 71 N 2.44 0.00 -8.52 2.89 3.38 -1.12 -3.46 115.31 110.91 2buj h LEU 71 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2buj h LEU 71 Cb 0.52 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.04 2buj h LEU 71 CO 0.00 0.06 -0.81 -0.36 0.09 0.00 0.00 178.44 177.42 2buj s PHE 72 N -4.18 1.52 -0.45 1.13 0.40 -1.13 -5.06 117.98 110.20 2buj s PHE 72 Ca -0.03 -0.42 0.08 0.00 -0.60 0.00 0.00 56.93 55.96 2buj s PHE 72 Cb 0.13 -0.86 0.26 0.00 0.51 0.00 0.00 43.02 43.06 2buj s PHE 72 CO 0.53 0.12 0.60 -1.71 0.70 0.00 0.00 175.22 175.46 2buj n ASN 73 N 1.35 1.19 -4.18 1.36 5.15 -1.26 -4.94 115.26 113.92 2buj n ASN 73 Ca -0.20 -2.92 -0.24 0.00 -0.60 0.00 0.00 54.58 50.62 2buj n ASN 73 Cb 0.54 -0.64 -0.15 0.00 -0.53 0.00 0.00 39.78 38.99 2buj n ASN 73 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2buj s HIS 74 N -1.62 1.57 0.48 1.20 2.46 -1.26 -5.04 115.29 113.08 2buj s HIS 74 Ca 0.37 -0.32 0.37 0.00 0.47 0.00 0.00 55.06 55.95 2buj s HIS 74 Cb 0.18 -0.99 1.93 0.00 -0.13 0.00 0.00 32.58 33.57 2buj s HIS 74 CO -0.08 0.00 2.21 -1.00 -2.47 0.00 0.00 174.74 173.40 2buj h PRO 75 N 5.46 0.00 -0.57 2.88 0.13 -1.99 -2.71 132.00 135.21 2buj h PRO 75 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2buj h PRO 75 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2buj h PRO 75 CO 0.47 0.03 0.02 0.09 -0.23 0.00 0.00 178.00 178.38 2buj n ASN 76 N -3.28 5.59 -3.72 1.44 4.13 -1.26 -4.80 115.26 113.37 2buj n ASN 76 Ca -0.02 -2.97 -0.20 0.00 1.68 0.00 0.00 54.58 53.08 2buj n ASN 76 Cb 0.16 -0.68 -0.18 0.00 -1.54 0.00 0.00 39.78 37.54 2buj n ASN 76 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2buj s ILE 77 N -2.80 0.02 -0.01 2.41 1.01 -1.02 -1.55 121.20 119.26 2buj s ILE 77 Ca 0.54 0.31 -0.36 0.00 0.00 0.00 0.00 60.65 61.15 2buj s ILE 77 Cb 0.42 -0.23 -0.14 0.00 0.01 0.00 0.00 42.46 42.52 2buj s ILE 77 CO 0.15 0.18 1.65 -0.11 0.00 0.00 0.00 174.94 176.82 2buj n LEU 78 N 5.03 2.80 -4.89 2.97 7.94 -0.17 -4.54 117.00 126.14 2buj n LEU 78 Ca -0.09 1.05 -0.29 0.00 -1.11 0.00 0.00 56.01 55.57 2buj n LEU 78 Cb 0.50 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.11 2buj n LEU 78 CO 0.10 -0.39 0.34 0.00 -1.11 0.00 0.00 177.39 176.34 2buj s ARG 79 N 2.26 3.68 -0.27 1.96 1.70 -1.26 -4.89 118.95 122.13 2buj s ARG 79 Ca 0.88 0.23 -0.14 0.00 -0.47 0.00 0.00 55.73 56.23 2buj s ARG 79 Cb -0.80 -2.50 -0.04 0.00 -0.57 0.00 0.00 34.95 31.04 2buj s ARG 79 CO 0.49 0.05 0.33 -1.17 -1.08 0.00 0.00 175.30 173.92 2buj s LEU 80 N -3.86 4.04 0.00 -1.89 2.96 -1.26 -4.31 118.68 114.37 2buj s LEU 80 Ca 0.48 0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 54.41 2buj s LEU 80 Cb -0.10 -2.36 -0.31 0.00 0.50 0.00 0.00 46.19 43.92 2buj s LEU 80 CO 0.33 -0.16 1.00 0.58 -1.32 0.00 0.00 176.35 176.78 2buj h VAL 81 N 5.39 1.39 -2.04 1.68 2.07 -1.46 -3.48 116.25 119.80 2buj h VAL 81 Ca -0.32 -2.49 0.01 0.00 0.82 0.00 0.00 66.70 64.72 2buj h VAL 81 Cb 1.17 2.95 -0.19 0.00 -1.52 0.00 0.00 31.29 33.70 2buj h VAL 81 CO 0.62 0.73 0.35 0.00 0.02 0.00 0.00 177.57 179.30 2buj s ALA 82 N -2.72 -1.81 -0.02 1.67 0.00 -1.19 -5.00 121.76 112.69 2buj s ALA 82 Ca -0.11 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.15 2buj s ALA 82 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2buj s ALA 82 CO 0.88 -0.45 -0.20 -0.47 0.00 0.00 0.00 175.76 175.52 2buj s TYR 83 N -1.80 1.87 0.22 0.00 5.04 -1.26 -0.81 117.35 120.62 2buj s TYR 83 Ca -0.04 -0.40 -0.21 0.00 -2.44 0.00 0.00 57.07 53.98 2buj s TYR 83 Cb -0.00 -1.21 0.04 0.00 0.35 0.00 0.00 41.96 41.13 2buj s TYR 83 CO 0.01 -0.06 0.64 0.00 -1.34 0.00 0.00 175.55 174.80 2buj s LEU 85 N -2.86 3.28 -0.01 0.00 1.43 -1.26 -0.14 118.68 119.12 2buj s LEU 85 Ca 0.07 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2buj s LEU 85 Cb -0.03 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2buj s LEU 85 CO -0.01 0.26 -0.06 -0.13 0.23 0.00 0.00 176.35 176.64 2buj s ARG 86 N -0.21 0.62 0.03 1.70 1.81 -0.03 -5.01 118.95 117.86 2buj s ARG 86 Ca 0.04 -0.21 -0.00 0.00 -1.72 0.00 0.00 55.73 53.83 2buj s ARG 86 Cb -0.13 -0.61 -0.02 0.00 -0.45 0.00 0.00 34.95 33.74 2buj s ARG 86 CO 0.02 0.09 -0.03 -1.83 -0.68 0.00 0.00 175.30 172.88 2buj s GLU 87 N 0.10 0.38 -0.23 3.54 -1.05 -1.26 0.76 118.70 120.94 2buj s GLU 87 Ca -0.01 -0.76 -0.03 0.00 -0.15 0.00 0.00 54.97 54.02 2buj s GLU 87 Cb -0.06 0.13 0.12 0.00 -0.44 0.00 0.00 34.13 33.88 2buj s GLU 87 CO -0.00 -0.06 0.31 0.50 0.95 0.00 0.00 175.26 176.96 2buj s ARG 88 N -2.05 0.29 7.62 -4.83 3.52 0.54 -5.00 118.95 119.04 2buj s ARG 88 Ca -0.10 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 2buj s ARG 88 Cb -0.06 -0.77 0.00 0.00 -1.56 0.00 0.00 34.95 32.56 2buj s ARG 88 CO -0.03 -0.66 0.00 0.41 -0.81 0.00 0.00 175.30 174.21 2buj n GLY 89 N 5.35 3.03 0.17 8.12 0.00 -1.26 -2.43 105.19 118.16 2buj n GLY 89 Ca -0.04 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.84 2buj n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buj h ALA 90 N -0.78 0.78 -2.21 4.61 0.00 -2.04 -3.45 119.26 116.18 2buj h ALA 90 Ca 0.00 -0.29 -0.55 0.00 0.00 0.00 0.00 54.91 54.06 2buj h ALA 90 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2buj h ALA 90 CO 0.00 0.40 1.06 0.21 0.00 0.00 0.00 179.25 180.91 2buj s LYS 91 N -3.06 4.13 -0.08 0.00 2.20 -1.02 -5.02 119.74 116.90 2buj s LYS 91 Ca 0.05 2.01 0.04 0.00 -0.36 0.00 0.00 55.97 57.71 2buj s LYS 91 Cb 0.07 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 2buj s LYS 91 CO 0.72 -0.89 -0.21 -1.01 -0.36 0.00 0.00 175.35 173.61 2buj s HIS 92 N 4.11 2.17 0.06 4.03 0.09 -1.26 -0.34 115.29 124.14 2buj s HIS 92 Ca 0.70 -0.79 0.01 0.00 -0.00 0.00 0.00 55.06 54.97 2buj s HIS 92 Cb -0.30 -1.46 -0.03 0.00 -0.00 0.00 0.00 32.58 30.79 2buj s HIS 92 CO 0.26 -0.31 -0.05 -1.21 -0.00 0.00 0.00 174.74 173.43 2buj s GLU 93 N 0.27 0.60 -0.07 1.40 2.02 0.23 -1.36 118.70 121.79 2buj s GLU 93 Ca -0.13 -1.02 0.05 0.00 0.02 0.00 0.00 54.97 53.89 2buj s GLU 93 Cb -0.16 -0.07 -0.01 0.00 0.10 0.00 0.00 34.13 33.99 2buj s GLU 93 CO 0.06 -0.03 -0.22 0.00 0.02 0.00 0.00 175.26 175.09 2buj s ALA 94 N -2.69 2.27 -0.11 5.21 0.00 -0.13 -0.85 121.76 125.47 2buj s ALA 94 Ca -0.00 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2buj s ALA 94 Cb -0.01 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 2buj s ALA 94 CO -0.04 0.40 -0.22 -1.58 0.00 0.00 0.00 175.76 174.32 2buj s TRP 95 N -0.12 2.61 -0.22 0.00 0.51 0.80 -0.10 118.94 122.42 2buj s TRP 95 Ca -0.04 -1.01 -0.02 0.00 -2.12 0.00 0.00 56.10 52.91 2buj s TRP 95 Cb -0.14 -1.74 0.01 0.00 -0.81 0.00 0.00 33.47 30.79 2buj s TRP 95 CO 0.04 -0.40 -0.08 -0.51 -0.51 0.00 0.00 176.95 175.49 2buj s LEU 96 N 0.38 2.83 -0.12 2.99 1.43 -0.18 -0.88 118.68 125.12 2buj s LEU 96 Ca -0.17 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.16 2buj s LEU 96 Cb -0.17 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2buj s LEU 96 CO 0.08 -0.05 0.52 -0.22 0.23 0.00 0.00 176.35 176.91 2buj s LEU 97 N 1.40 4.26 0.10 1.79 2.96 0.01 -0.55 118.68 128.65 2buj s LEU 97 Ca 0.04 0.86 0.02 0.00 -0.22 0.00 0.00 54.13 54.83 2buj s LEU 97 Cb -0.15 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 2buj s LEU 97 CO -0.06 -0.05 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.10 2buj s LEU 98 N 0.81 2.51 0.67 -0.68 1.43 -0.19 -1.04 118.68 122.19 2buj s LEU 98 Ca 0.28 -0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 52.21 2buj s LEU 98 Cb -0.16 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 45.96 2buj s LEU 98 CO 0.11 -0.44 1.28 -2.84 0.23 0.00 0.00 176.35 174.69 2buj s PRO 99 N -3.76 2.43 -0.20 1.29 0.02 -1.26 -0.62 135.00 132.90 2buj s PRO 99 Ca 0.12 2.01 -0.07 0.00 0.02 0.00 0.00 61.00 63.08 2buj s PRO 99 Cb 0.04 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.69 2buj s PRO 99 CO -0.04 -1.68 0.04 0.12 -0.33 0.00 0.00 177.00 175.12 2buj s PHE 100 N -1.52 3.14 -0.45 6.54 5.36 -1.21 -4.27 117.98 125.58 2buj s PHE 100 Ca 0.81 -0.19 -0.08 0.00 -0.96 0.00 0.00 56.93 56.51 2buj s PHE 100 Cb -0.36 -2.11 0.11 0.00 -0.34 0.00 0.00 43.02 40.32 2buj s PHE 100 CO 0.41 -0.08 0.29 -0.06 -1.46 0.00 0.00 175.22 174.32 2buj s PHE 101 N 0.84 3.45 0.61 10.12 0.40 -1.26 -4.94 117.98 127.20 2buj s PHE 101 Ca 0.03 -1.95 0.32 0.00 -0.60 0.00 0.00 56.93 54.73 2buj s PHE 101 Cb -0.14 -3.32 1.88 0.00 0.51 0.00 0.00 43.02 41.95 2buj s PHE 101 CO 0.02 -0.96 2.22 1.57 0.70 0.00 0.00 175.22 178.77 2buj h LYS 102 N 8.34 0.00 0.00 0.44 2.10 -1.95 -1.20 116.57 124.30 2buj h LYS 102 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2buj h LYS 102 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2buj h LYS 102 CO 0.80 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.25 2buj h ARG 103 N 0.00 0.00 0.00 0.07 3.08 -1.90 -3.49 114.38 112.14 2buj h ARG 103 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2buj h ARG 103 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2buj h ARG 103 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2buj n GLY 104 N 0.84 0.98 3.95 0.04 0.00 -0.46 -4.82 105.19 105.73 2buj n GLY 104 Ca 0.04 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 2buj n GLY 104 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2buj s THR 105 N 0.00 3.98 0.34 2.61 -1.32 -1.26 -1.28 115.64 118.70 2buj s THR 105 Ca 0.00 -1.10 0.07 0.00 -1.21 0.00 0.00 61.69 59.46 2buj s THR 105 Cb 0.00 -3.37 0.10 0.00 -1.51 0.00 0.00 72.50 67.72 2buj s THR 105 CO 0.00 -0.17 1.81 0.25 -2.21 0.00 0.00 174.62 174.30 2buj h LEU 106 N 1.00 0.27 -0.48 9.08 5.85 -0.07 -3.02 115.31 127.94 2buj h LEU 106 Ca -0.46 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 2buj h LEU 106 Cb 1.25 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2buj h LEU 106 CO 0.55 0.53 0.23 -0.25 -0.34 0.00 0.00 178.44 179.16 2buj h TRP 107 N 0.25 0.69 0.00 1.25 2.91 -1.75 -1.82 115.95 117.47 2buj h TRP 107 Ca 0.04 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 2buj h TRP 107 Cb 0.59 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.02 2buj h TRP 107 CO 0.01 0.55 -0.07 -2.95 -1.03 0.00 0.00 178.44 174.95 2buj h ASN 108 N 0.63 0.00 -0.49 2.65 7.08 -1.87 -0.65 115.58 122.91 2buj h ASN 108 Ca 0.16 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.26 2buj h ASN 108 Cb 0.12 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.34 2buj h ASN 108 CO -0.02 0.07 -0.15 -0.08 -2.08 0.00 0.00 177.43 175.16 2buj h GLU 109 N 0.00 0.99 0.00 4.14 4.57 -1.43 -1.17 114.58 121.68 2buj h GLU 109 Ca -0.00 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2buj h GLU 109 Cb 0.96 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2buj h GLU 109 CO 0.01 1.06 -0.10 0.44 -1.18 0.00 0.00 179.01 179.24 2buj n ILE 110 N -4.13 0.32 0.07 2.32 -5.35 -0.69 -2.66 119.36 109.24 2buj n ILE 110 Ca 0.01 -0.17 -0.21 0.00 -0.27 0.00 0.00 62.75 62.11 2buj n ILE 110 Cb 0.42 -0.45 -0.14 0.00 -1.74 0.00 0.00 39.64 37.73 2buj n ILE 110 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2buj h GLU 111 N 0.00 0.40 -0.86 6.28 5.08 -1.15 -2.93 114.58 121.40 2buj h GLU 111 Ca 0.00 -0.63 0.20 0.00 -1.00 0.00 0.00 59.36 57.93 2buj h GLU 111 Cb 0.64 0.23 -0.12 0.00 0.50 0.00 0.00 28.75 30.00 2buj h GLU 111 CO 0.00 1.29 0.36 -0.09 -1.00 0.00 0.00 179.01 179.57 2buj h ARG 112 N -0.16 0.39 -0.05 2.33 2.43 -1.13 0.10 114.38 118.30 2buj h ARG 112 Ca -0.16 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.81 2buj h ARG 112 Cb 1.75 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 31.22 2buj h ARG 112 CO 0.19 0.26 -0.65 -0.07 -1.51 0.00 0.00 179.97 178.19 2buj h LEU 113 N 0.40 0.66 -1.61 3.80 3.38 -1.63 -3.27 115.31 117.05 2buj h LEU 113 Ca 0.52 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2buj h LEU 113 Cb 0.95 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2buj h LEU 113 CO -0.51 1.26 -0.12 0.50 0.09 0.00 0.00 178.44 179.67 2buj h LYS 114 N 0.11 0.00 0.00 1.13 1.63 -1.21 0.17 116.57 118.39 2buj h LYS 114 Ca -0.07 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 2buj h LYS 114 Cb 1.32 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.95 2buj h LYS 114 CO 0.13 0.12 -0.12 -0.44 -3.45 0.00 0.00 179.45 175.69 2buj h ASP 115 N 0.00 0.00 0.12 4.20 5.19 -0.88 -3.06 116.42 121.99 2buj h ASP 115 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2buj h ASP 115 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2buj h ASP 115 CO 0.02 0.12 -0.31 0.29 -3.12 0.00 0.00 179.24 176.23 2buj n LYS 116 N -3.15 1.08 -0.23 3.56 4.01 -0.51 -4.96 118.16 117.96 2buj n LYS 116 Ca 0.03 -0.75 0.00 0.00 -0.51 0.00 0.00 58.31 57.08 2buj n LYS 116 Cb 0.53 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.57 2buj n LYS 116 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2buj n GLY 117 N 1.36 0.65 3.99 0.72 0.00 -0.80 -5.08 105.19 106.02 2buj n GLY 117 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 2buj n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2buj s ASN 118 N -2.86 4.93 0.19 1.61 0.01 0.47 -4.92 114.94 114.37 2buj s ASN 118 Ca 0.00 -0.99 -0.03 0.00 -0.71 0.00 0.00 52.86 51.13 2buj s ASN 118 Cb 0.00 0.33 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 2buj s ASN 118 CO 0.00 -1.25 0.16 -0.36 -1.51 0.00 0.00 177.10 174.14 2buj s PHE 119 N -2.70 1.01 0.24 2.20 0.40 -1.26 -2.89 117.98 114.98 2buj s PHE 119 Ca 0.52 -1.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.28 2buj s PHE 119 Cb -0.04 -0.45 -0.10 0.00 0.51 0.00 0.00 43.02 42.94 2buj s PHE 119 CO 0.32 -0.66 1.37 -0.51 0.70 0.00 0.00 175.22 176.44 2buj s LEU 120 N -3.12 4.41 1.04 -0.37 1.43 -1.26 -5.03 118.68 115.77 2buj s LEU 120 Ca 0.35 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.89 2buj s LEU 120 Cb 0.06 -3.62 0.21 0.00 0.03 0.00 0.00 46.19 42.87 2buj s LEU 120 CO 0.10 -0.60 1.07 0.42 0.23 0.00 0.00 176.35 177.57 2buj s THR 121 N -0.13 2.18 0.29 5.49 -4.23 -1.26 -4.78 115.64 113.20 2buj s THR 121 Ca 0.57 0.06 0.06 0.00 -1.18 0.00 0.00 61.69 61.19 2buj s THR 121 Cb -0.39 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.21 2buj s THR 121 CO 0.43 -0.08 1.68 -0.08 -0.54 0.00 0.00 174.62 176.03 2buj h GLU 122 N -2.16 0.26 -0.15 3.99 4.81 -1.96 -0.78 114.58 118.59 2buj h GLU 122 Ca -0.55 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 58.42 2buj h GLU 122 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2buj h GLU 122 CO 0.51 0.64 -0.48 -0.44 -0.73 0.00 0.00 179.01 178.51 2buj h ASP 123 N 0.21 0.42 -0.40 1.04 3.32 -1.96 -0.94 116.42 118.10 2buj h ASP 123 Ca 0.02 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.75 2buj h ASP 123 Cb 0.84 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2buj h ASP 123 CO 0.07 0.84 -0.20 1.56 -1.72 0.00 0.00 179.24 179.78 2buj h GLN 124 N 0.31 0.85 -0.56 3.56 4.20 -1.84 -2.56 115.11 119.07 2buj h GLN 124 Ca 0.02 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 2buj h GLN 124 Cb 0.97 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 2buj h GLN 124 CO 0.08 1.01 0.26 0.82 -0.67 0.00 0.00 178.83 180.34 2buj h ILE 125 N 0.66 1.21 -0.59 2.54 2.04 -0.97 -2.18 117.51 120.21 2buj h ILE 125 Ca 0.09 -0.60 -0.10 0.00 1.00 0.00 0.00 64.86 65.25 2buj h ILE 125 Cb 0.76 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2buj h ILE 125 CO 0.06 0.24 -0.02 -0.07 0.00 0.00 0.00 178.15 178.35 2buj h LEU 126 N 0.76 1.04 -0.07 1.44 3.38 -1.16 -1.37 115.31 119.33 2buj h LEU 126 Ca 0.19 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2buj h LEU 126 Cb 0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2buj h LEU 126 CO -0.02 1.10 0.03 -0.25 0.09 0.00 0.00 178.44 179.38 2buj h TRP 127 N 0.96 0.12 -0.39 1.13 2.91 -1.37 -2.10 115.95 117.21 2buj h TRP 127 Ca 0.17 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.21 2buj h TRP 127 Cb 0.58 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 2buj h TRP 127 CO 0.04 0.26 0.16 -0.07 -1.03 0.00 0.00 178.44 177.80 2buj h LEU 128 N -0.06 0.21 -0.99 0.65 3.38 -1.29 -1.53 115.31 115.68 2buj h LEU 128 Ca 0.02 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2buj h LEU 128 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2buj h LEU 128 CO -0.00 0.16 0.16 0.25 0.09 0.00 0.00 178.44 179.10 2buj h LEU 129 N 0.34 0.83 -0.35 1.67 5.85 -1.26 -1.80 115.31 120.60 2buj h LEU 129 Ca 0.17 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2buj h LEU 129 Cb 0.12 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2buj h LEU 129 CO -0.15 0.80 0.17 0.25 -0.34 0.00 0.00 178.44 179.17 2buj h LEU 130 N 0.87 0.45 -0.76 2.25 5.85 -0.97 -1.71 115.31 121.29 2buj h LEU 130 Ca 0.19 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2buj h LEU 130 Cb 0.28 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2buj h LEU 130 CO -0.00 0.45 0.50 1.23 -0.34 0.00 0.00 178.44 180.27 2buj h GLY 131 N 0.42 1.08 0.96 3.75 0.00 -0.80 -2.06 103.07 106.42 2buj h GLY 131 Ca 0.12 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2buj h GLY 131 CO -0.02 0.37 0.02 -2.22 0.00 0.00 0.00 176.54 174.69 2buj h ILE 132 N 1.00 1.26 -0.78 2.60 2.04 -1.26 -2.00 117.51 120.36 2buj h ILE 132 Ca 0.29 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 2buj h ILE 132 Cb -0.08 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2buj h ILE 132 CO -0.08 0.34 0.34 0.00 0.00 0.00 0.00 178.15 178.75 2buj h ARG 134 N 1.13 0.68 0.64 0.00 3.08 -1.34 0.11 114.38 118.69 2buj h ARG 134 Ca 0.26 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2buj h ARG 134 Cb 0.18 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.17 2buj h ARG 134 CO -0.03 0.77 -0.31 0.78 -1.07 0.00 0.00 179.97 180.11 2buj h GLY 135 N 0.96 -0.90 0.47 0.04 0.00 -1.06 -2.43 103.07 100.16 2buj h GLY 135 Ca 0.11 0.33 0.12 0.00 0.00 0.00 0.00 47.33 47.89 2buj h GLY 135 CO 0.03 -0.33 0.61 1.41 0.00 0.00 0.00 176.54 178.26 2buj h LEU 136 N -0.94 0.88 -0.57 3.11 3.38 -1.11 -1.98 115.31 118.08 2buj h LEU 136 Ca -0.09 0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2buj h LEU 136 Cb 0.69 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2buj h LEU 136 CO 0.14 0.47 0.31 -0.08 0.09 0.00 0.00 178.44 179.37 2buj h GLU 137 N 0.96 0.56 -0.52 1.13 4.81 -0.66 0.17 114.58 121.03 2buj h GLU 137 Ca 0.48 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.64 2buj h GLU 137 Cb 0.48 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2buj h GLU 137 CO -0.27 0.37 0.17 0.00 -0.73 0.00 0.00 179.01 178.56 2buj h ALA 138 N 1.30 1.32 0.18 2.92 0.00 -0.86 -0.28 119.26 123.84 2buj h ALA 138 Ca 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2buj h ALA 138 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2buj h ALA 138 CO -0.16 0.49 -0.09 0.82 0.00 0.00 0.00 179.25 180.31 2buj h ILE 139 N 0.76 0.93 -0.94 0.00 2.04 -0.93 -3.22 117.51 116.15 2buj h ILE 139 Ca 0.18 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.32 2buj h ILE 139 Cb 0.21 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 2buj h ILE 139 CO -0.01 0.17 0.59 0.45 0.00 0.00 0.00 178.15 179.36 2buj h HIS 140 N -0.65 1.10 0.00 1.37 3.86 -0.62 -2.38 115.15 117.83 2buj h HIS 140 Ca -0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2buj h HIS 140 Cb 0.47 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 2buj h HIS 140 CO 0.05 0.55 -0.05 0.00 0.86 0.00 0.00 177.93 179.33 2buj h ALA 141 N 1.44 1.45 -0.01 2.45 0.00 -1.09 -0.44 119.26 123.06 2buj h ALA 141 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2buj h ALA 141 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2buj h ALA 141 CO -0.18 0.06 -0.22 1.63 0.00 0.00 0.00 179.25 180.54 2buj n LYS 142 N -3.80 1.01 -0.15 0.00 5.02 -0.92 -4.96 118.16 114.37 2buj n LYS 142 Ca -0.03 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 2buj n LYS 142 Cb 0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2buj n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2buj n GLY 143 N 1.32 0.93 3.73 0.72 0.00 -0.17 -5.07 105.19 106.63 2buj n GLY 143 Ca 0.13 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2buj n GLY 143 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2buj s TYR 144 N -2.00 2.75 0.12 1.61 1.51 -1.05 -1.02 117.35 119.27 2buj s TYR 144 Ca 0.00 -0.31 0.10 0.00 -1.01 0.00 0.00 57.07 55.84 2buj s TYR 144 Cb 0.00 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 2buj s TYR 144 CO 0.00 0.41 -0.23 0.00 -1.11 0.00 0.00 175.55 174.62 2buj s ALA 145 N -2.37 2.08 -0.07 3.71 0.00 -0.46 -3.26 121.76 121.40 2buj s ALA 145 Ca 0.36 -1.37 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 2buj s ALA 145 Cb -0.04 -0.30 -0.20 0.00 0.00 0.00 0.00 23.12 22.58 2buj s ALA 145 CO 0.22 0.43 0.97 1.25 0.00 0.00 0.00 175.76 178.63 2buj h HIS 146 N 3.91 -0.06 0.00 0.00 2.76 -1.90 -2.68 115.15 117.18 2buj h HIS 146 Ca -0.48 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2buj h HIS 146 Cb 1.18 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2buj h HIS 146 CO 0.62 0.57 0.00 0.54 -1.30 0.00 0.00 177.93 178.35 2buj n ARG 147 N -4.79 0.00 -2.75 5.26 5.12 -1.26 -2.87 116.66 115.37 2buj n ARG 147 Ca -0.09 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.79 2buj n ARG 147 Cb 0.32 -1.67 0.04 0.00 -1.16 0.00 0.00 32.46 30.00 2buj n ARG 147 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2buj n ASP 148 N 0.00 1.33 -4.73 0.55 4.64 -1.26 -4.54 116.55 112.53 2buj n ASP 148 Ca 0.00 -2.37 -0.42 0.00 -1.38 0.00 0.00 54.79 50.63 2buj n ASP 148 Cb 0.00 -0.43 -0.03 0.00 -1.04 0.00 0.00 41.12 39.62 2buj n ASP 148 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2buj s LEU 149 N -3.47 4.39 -0.20 -2.67 2.96 -1.26 -4.87 118.68 113.55 2buj s LEU 149 Ca 0.26 2.53 -0.35 0.00 -0.22 0.00 0.00 54.13 56.36 2buj s LEU 149 Cb 0.39 -3.61 0.14 0.00 0.50 0.00 0.00 46.19 43.62 2buj s LEU 149 CO -0.01 -0.67 1.22 -1.59 -1.32 0.00 0.00 176.35 173.98 2buj s LYS 150 N 0.23 0.28 0.60 1.98 -2.85 -1.26 -4.81 119.74 113.91 2buj s LYS 150 Ca 0.62 -0.09 0.35 0.00 -1.00 0.00 0.00 55.97 55.85 2buj s LYS 150 Cb -0.40 0.13 1.92 0.00 -2.06 0.00 0.00 37.83 37.42 2buj s LYS 150 CO 0.37 -0.12 2.23 -1.35 0.10 0.00 0.00 175.35 176.58 2buj h PRO 151 N 2.02 0.00 -0.00 1.78 0.11 -1.94 0.04 132.00 134.00 2buj h PRO 151 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2buj h PRO 151 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2buj h PRO 151 CO 0.23 0.03 -0.01 0.25 -0.21 0.00 0.00 178.00 178.28 2buj n THR 152 N -3.42 0.00 -0.99 -1.15 -2.24 -1.26 -2.68 114.28 102.54 2buj n THR 152 Ca -0.02 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 2buj n THR 152 Cb 0.14 -0.44 0.32 0.00 -2.10 0.00 0.00 70.33 68.25 2buj n THR 152 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2buj n ASN 153 N -1.16 4.71 -3.81 3.42 3.02 -0.00 -4.91 115.26 116.53 2buj n ASN 153 Ca 0.17 -3.06 -0.28 0.00 -0.03 0.00 0.00 54.58 51.38 2buj n ASN 153 Cb 0.21 -0.64 -0.16 0.00 -0.61 0.00 0.00 39.78 38.58 2buj n ASN 153 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2buj s ILE 154 N -2.86 0.85 0.35 2.41 1.01 -1.17 -2.13 121.20 119.65 2buj s ILE 154 Ca 0.49 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 60.36 2buj s ILE 154 Cb 0.39 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.56 2buj s ILE 154 CO 0.12 -0.12 0.66 -0.76 0.00 0.00 0.00 174.94 174.84 2buj s LEU 155 N 1.72 3.95 -0.21 2.97 1.43 -0.25 0.38 118.68 128.66 2buj s LEU 155 Ca -0.02 0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 53.96 2buj s LEU 155 Cb -0.17 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 2buj s LEU 155 CO -0.07 -0.30 -0.00 -0.76 0.23 0.00 0.00 176.35 175.45 2buj s LEU 156 N -3.68 3.22 0.00 1.79 1.02 -0.41 -0.03 118.68 120.59 2buj s LEU 156 Ca 0.48 -0.23 -0.09 0.00 0.02 0.00 0.00 54.13 54.31 2buj s LEU 156 Cb -0.10 -1.82 0.12 0.00 0.02 0.00 0.00 46.19 44.41 2buj s LEU 156 CO 0.30 0.04 0.66 0.61 0.02 0.00 0.00 176.35 177.99 2buj n GLY 157 N 4.38 -1.53 0.22 -3.19 0.00 0.10 -4.31 105.19 100.87 2buj n GLY 157 Ca -0.17 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.31 2buj n GLY 157 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2buj h ASP 158 N -1.05 0.00 -0.49 1.61 3.45 -1.96 -2.54 116.42 115.44 2buj h ASP 158 Ca -0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.24 2buj h ASP 158 Cb 0.61 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 2buj h ASP 158 CO 0.15 0.00 0.00 -1.84 -1.57 0.00 0.00 179.24 175.98 2buj n GLU 159 N -3.08 3.69 -1.01 3.56 0.00 -1.26 -4.93 120.64 117.61 2buj n GLU 159 Ca 0.04 -2.42 -0.00 0.00 0.00 0.00 0.00 57.16 54.77 2buj n GLU 159 Cb 0.52 -1.95 -0.00 0.00 0.00 0.00 0.00 31.44 30.01 2buj n GLU 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2buj n GLY 160 N 0.74 0.31 3.76 -1.84 0.00 -0.95 -4.89 105.19 102.31 2buj n GLY 160 Ca 0.22 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2buj n GLY 160 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2buj s GLN 161 N -0.96 4.65 0.22 1.61 0.00 -1.26 -4.64 119.66 119.27 2buj s GLN 161 Ca 0.00 1.78 -0.29 0.00 -0.00 0.00 0.00 55.36 56.85 2buj s GLN 161 Cb 0.00 -3.20 -0.09 0.00 0.00 0.00 0.00 33.01 29.72 2buj s GLN 161 CO 0.00 0.21 0.92 -1.25 0.00 0.00 0.00 175.29 175.17 2buj s PRO 162 N -1.30 4.80 -0.07 9.60 0.04 -1.26 0.03 135.00 146.84 2buj s PRO 162 Ca 0.45 1.43 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 2buj s PRO 162 Cb -0.31 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 30.97 2buj s PRO 162 CO 0.40 0.50 -0.04 0.08 0.04 0.00 0.00 177.00 177.98 2buj s VAL 163 N -1.08 0.65 0.23 -0.36 1.01 0.96 -4.50 120.40 117.31 2buj s VAL 163 Ca 0.41 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2buj s VAL 163 Cb -0.25 -0.72 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 2buj s VAL 163 CO 0.31 0.29 0.97 -0.76 0.00 0.00 0.00 175.10 175.90 2buj s LEU 164 N 1.48 4.61 0.00 3.92 1.43 -0.59 -1.09 118.68 128.44 2buj s LEU 164 Ca -0.01 1.98 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 2buj s LEU 164 Cb -0.13 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 2buj s LEU 164 CO -0.04 0.08 0.19 1.15 0.23 0.00 0.00 176.35 177.97 2buj n MET 165 N 1.63 0.47 -2.77 1.70 0.00 -0.91 -1.00 117.12 116.25 2buj n MET 165 Ca -0.01 -2.97 -0.05 0.00 0.00 0.00 0.00 57.70 54.67 2buj n MET 165 Cb 0.47 2.07 0.01 0.00 0.00 0.00 0.00 33.22 35.76 2buj n MET 165 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2buj n ASP 166 N -1.74 -7.35 -1.67 3.17 2.03 -1.26 -4.89 116.55 104.84 2buj n ASP 166 Ca 0.02 0.34 -0.07 0.00 0.52 0.00 0.00 54.79 55.59 2buj n ASP 166 Cb 0.53 -4.96 0.25 0.00 -0.72 0.00 0.00 41.12 36.22 2buj n ASP 166 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2buj n LEU 167 N -0.70 5.40 -0.20 -2.67 4.77 -1.26 -4.54 117.00 117.80 2buj n LEU 167 Ca 0.08 -3.41 0.14 0.00 -0.03 0.00 0.00 56.01 52.78 2buj n LEU 167 Cb 0.44 -0.71 0.69 0.00 -2.33 0.00 0.00 43.42 41.51 2buj n LEU 167 CO 0.45 0.95 0.96 0.61 -1.33 0.00 0.00 177.39 179.02 2buj n GLY 168 N -0.66 -0.57 0.00 -0.72 0.00 -1.26 -3.43 105.19 98.55 2buj n GLY 168 Ca 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2buj n GLY 168 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2buj n SER 169 N -0.48 1.59 -4.75 1.61 3.41 -1.26 -5.02 113.62 108.72 2buj n SER 169 Ca 0.20 -1.74 -0.41 0.00 -0.26 0.00 0.00 58.87 56.66 2buj n SER 169 Cb 0.19 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 2buj n SER 169 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2buj s MET 170 N -0.74 4.25 0.37 4.33 0.00 -1.14 -4.62 119.30 121.76 2buj s MET 170 Ca 0.00 2.34 -0.07 0.00 0.00 0.00 0.00 55.69 57.96 2buj s MET 170 Cb 0.00 -3.09 0.02 0.00 0.00 0.00 0.00 34.83 31.77 2buj s MET 170 CO 0.00 -0.43 0.60 0.54 0.00 0.00 0.00 175.02 175.74 2buj s ASN 171 N 0.27 0.67 0.33 1.11 2.20 -1.01 -4.99 114.94 113.53 2buj s ASN 171 Ca 0.58 -1.41 -0.28 0.00 -0.94 0.00 0.00 52.86 50.81 2buj s ASN 171 Cb -0.43 0.75 -0.12 0.00 -2.00 0.00 0.00 41.25 39.45 2buj s ASN 171 CO 0.46 -1.48 1.30 0.00 -2.94 0.00 0.00 177.10 174.44 2buj n GLN 172 N -0.57 2.13 0.01 3.55 -0.00 -1.26 -1.35 117.38 119.88 2buj n GLN 172 Ca -0.03 0.75 -0.13 0.00 -0.00 0.00 0.00 57.00 57.59 2buj n GLN 172 Cb 0.61 -2.34 -0.02 0.00 -0.00 0.00 0.00 30.24 28.49 2buj n GLN 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2buj h ALA 173 N 2.72 0.47 -3.19 2.61 0.00 -1.33 -3.43 119.26 117.11 2buj h ALA 173 Ca -0.46 -0.59 -0.63 0.00 0.00 0.00 0.00 54.91 53.23 2buj h ALA 173 Cb 1.28 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 2buj h ALA 173 CO 0.64 0.72 -0.59 0.00 0.00 0.00 0.00 179.25 180.01 2buj s ILE 175 N 0.70 0.84 -0.23 0.00 1.01 0.21 -5.01 121.20 118.71 2buj s ILE 175 Ca 0.03 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.30 2buj s ILE 175 Cb -0.13 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 2buj s ILE 175 CO 0.02 0.30 0.46 -1.00 0.00 0.00 0.00 174.94 174.72 2buj s HIS 176 N 1.78 3.31 -0.27 3.97 3.76 -1.26 -0.89 115.29 125.69 2buj s HIS 176 Ca 0.04 0.62 -0.08 0.00 -0.15 0.00 0.00 55.06 55.49 2buj s HIS 176 Cb -0.13 -2.63 -0.02 0.00 1.11 0.00 0.00 32.58 30.91 2buj s HIS 176 CO -0.07 -0.16 0.10 0.08 -0.85 0.00 0.00 174.74 173.84 2buj s VAL 177 N 1.85 4.45 -0.23 -0.90 1.01 0.10 -5.01 120.40 121.68 2buj s VAL 177 Ca 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2buj s VAL 177 Cb -0.15 -3.16 0.06 0.00 0.00 0.00 0.00 36.38 33.13 2buj s VAL 177 CO 0.09 0.23 -0.00 -1.83 0.00 0.00 0.00 175.10 173.59 2buj s GLU 178 N 1.62 1.16 0.00 2.72 -1.05 -1.22 -1.64 118.70 120.29 2buj s GLU 178 Ca 0.06 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 2buj s GLU 178 Cb -0.16 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 2buj s GLU 178 CO 0.05 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 176.02 2buj n GLY 179 N 4.83 0.60 0.34 -3.83 0.00 0.12 -4.43 105.19 102.83 2buj n GLY 179 Ca -0.10 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 2buj n GLY 179 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2buj h SER 180 N 0.00 1.09 -0.69 1.61 0.02 -1.95 -2.59 113.55 111.04 2buj h SER 180 Ca 0.00 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2buj h SER 180 Cb 0.00 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 2buj h SER 180 CO 0.00 0.93 0.45 -0.09 -1.14 0.00 0.00 176.83 176.98 2buj h ARG 181 N 1.18 0.87 -0.19 3.45 2.43 -1.96 -0.87 114.38 119.30 2buj h ARG 181 Ca 0.28 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 2buj h ARG 181 Cb 0.14 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2buj h ARG 181 CO -0.03 0.58 -0.52 1.96 -1.51 0.00 0.00 179.97 180.45 2buj h GLN 182 N 0.90 0.52 -0.40 0.20 4.20 -1.74 -1.88 115.11 116.91 2buj h GLN 182 Ca 0.26 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2buj h GLN 182 Cb -0.05 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2buj h GLN 182 CO -0.08 0.92 0.17 0.00 -0.67 0.00 0.00 178.83 179.17 2buj h ALA 183 N 1.02 0.52 -0.20 3.87 0.00 -1.14 -1.49 119.26 121.84 2buj h ALA 183 Ca 0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2buj h ALA 183 Cb 1.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2buj h ALA 183 CO 0.10 0.11 -0.58 1.25 0.00 0.00 0.00 179.25 180.12 2buj h LEU 184 N 0.50 0.73 -0.65 0.00 5.85 -1.13 0.17 115.31 120.78 2buj h LEU 184 Ca 0.13 -0.40 -0.12 0.00 0.84 0.00 0.00 57.88 58.33 2buj h LEU 184 Cb 0.17 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2buj h LEU 184 CO -0.01 1.15 -0.20 0.71 -0.34 0.00 0.00 178.44 179.75 2buj h THR 185 N 0.49 1.27 -0.50 1.05 1.35 -1.25 -0.89 112.91 114.43 2buj h THR 185 Ca 0.00 -1.33 -0.06 0.00 -0.55 0.00 0.00 66.41 64.47 2buj h THR 185 Cb 1.15 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 2buj h THR 185 CO 0.11 0.45 0.06 0.25 -0.25 0.00 0.00 175.52 176.14 2buj h LEU 186 N 0.74 0.82 -0.58 3.87 5.85 -1.06 -0.98 115.31 123.96 2buj h LEU 186 Ca 0.10 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.56 2buj h LEU 186 Cb 0.73 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2buj h LEU 186 CO 0.06 0.89 0.38 -0.61 -0.34 0.00 0.00 178.44 178.81 2buj h GLN 187 N 0.72 0.77 -0.66 1.25 4.15 -0.45 -1.75 115.11 119.13 2buj h GLN 187 Ca 0.15 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 2buj h GLN 187 Cb 0.43 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2buj h GLN 187 CO 0.01 0.51 0.13 -0.44 -1.93 0.00 0.00 178.83 177.11 2buj h ASP 188 N 0.79 1.03 -0.66 -0.69 3.32 -1.02 -1.55 116.42 117.63 2buj h ASP 188 Ca 0.21 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.06 2buj h ASP 188 Cb -0.09 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.14 2buj h ASP 188 CO -0.05 1.02 0.38 -0.25 -1.72 0.00 0.00 179.24 178.62 2buj h TRP 189 N 1.00 0.70 -0.40 4.55 7.01 -0.74 -2.52 115.95 125.55 2buj h TRP 189 Ca 0.20 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.09 2buj h TRP 189 Cb 0.41 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 2buj h TRP 189 CO 0.03 0.35 -0.30 0.00 -2.79 0.00 0.00 178.44 175.73 2buj h ALA 190 N 1.33 0.71 -0.21 2.65 0.00 -1.16 -1.35 119.26 121.24 2buj h ALA 190 Ca 0.29 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2buj h ALA 190 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2buj h ALA 190 CO -0.16 0.66 0.22 0.00 0.00 0.00 0.00 179.25 179.97 2buj h ALA 191 N 0.91 1.86 0.12 0.00 0.00 -0.91 -0.78 119.26 120.46 2buj h ALA 191 Ca 0.08 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.67 2buj h ALA 191 Cb 0.86 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2buj h ALA 191 CO 0.08 -0.33 -1.62 0.37 0.00 0.00 0.00 179.25 177.75 2buj h GLN 192 N 0.00 0.26 -0.00 0.00 5.75 -1.03 -3.43 115.11 116.66 2buj h GLN 192 Ca 0.10 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 2buj h GLN 192 Cb 0.53 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.25 2buj h GLN 192 CO -0.00 1.21 -0.34 0.54 -2.65 0.00 0.00 178.83 177.59 2buj n ARG 193 N -3.79 3.27 -4.02 1.69 5.12 -0.56 -4.89 116.66 113.48 2buj n ARG 193 Ca -0.27 -0.23 -0.32 0.00 -1.93 0.00 0.00 57.85 55.10 2buj n ARG 193 Cb 0.95 -0.98 -0.15 0.00 -1.16 0.00 0.00 32.46 31.12 2buj n ARG 193 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2buj n THR 195 N 4.33 0.03 -0.32 0.00 -1.04 -1.26 -4.65 114.28 111.37 2buj n THR 195 Ca -0.03 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.05 61.97 2buj n THR 195 Cb 0.42 -0.40 0.12 0.00 -1.82 0.00 0.00 70.33 68.65 2buj n THR 195 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2buj h ILE 196 N 3.81 1.12 0.00 12.58 2.10 -1.93 -1.73 117.51 133.47 2buj h ILE 196 Ca -0.48 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.10 2buj h ILE 196 Cb 1.39 -0.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 2buj h ILE 196 CO 0.79 0.19 0.00 -1.54 -1.08 0.00 0.00 178.15 176.51 2buj n SER 197 N -4.56 0.00 -0.11 2.19 3.41 -1.26 -2.76 113.62 110.53 2buj n SER 197 Ca 0.11 -0.06 0.01 0.00 -0.26 0.00 0.00 58.87 58.68 2buj n SER 197 Cb 0.11 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 2buj n SER 197 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2buj n TYR 198 N -1.28 0.01 -2.62 7.33 4.02 -0.70 -4.56 117.16 119.35 2buj n TYR 198 Ca 0.11 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.90 57.54 2buj n TYR 198 Cb 0.19 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.46 2buj n TYR 198 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2buj s ARG 199 N -0.31 4.69 0.37 -0.72 3.52 -0.87 -4.16 118.95 121.47 2buj s ARG 199 Ca 0.03 1.60 -0.26 0.00 -0.13 0.00 0.00 55.73 56.97 2buj s ARG 199 Cb 0.02 -3.29 -0.09 0.00 -1.56 0.00 0.00 34.95 30.03 2buj s ARG 199 CO 0.03 0.24 1.18 0.00 -0.81 0.00 0.00 175.30 175.94 2buj s ALA 200 N -0.54 3.24 0.18 6.12 0.00 -1.26 -4.95 121.76 124.55 2buj s ALA 200 Ca 0.46 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 53.24 2buj s ALA 200 Cb -0.27 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.59 2buj s ALA 200 CO 0.34 -0.48 1.65 -1.35 0.00 0.00 0.00 175.76 175.91 2buj h PRO 201 N 2.93 -0.05 0.00 0.00 0.11 -1.88 -2.04 132.00 131.08 2buj h PRO 201 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2buj h PRO 201 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2buj h PRO 201 CO 0.64 -0.03 0.18 -0.85 -0.21 0.00 0.00 178.00 177.73 2buj n GLU 202 N -5.36 0.04 0.00 1.05 0.00 -1.26 -1.24 120.64 113.86 2buj n GLU 202 Ca 0.03 0.43 0.12 0.00 0.00 0.00 0.00 57.16 57.74 2buj n GLU 202 Cb 0.27 -1.80 0.08 0.00 0.00 0.00 0.00 31.44 29.98 2buj n GLU 202 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2buj n LEU 203 N -1.61 2.18 -4.89 -1.84 4.77 -0.76 -4.21 117.00 110.64 2buj n LEU 203 Ca -0.00 -0.77 -0.34 0.00 -0.03 0.00 0.00 56.01 54.86 2buj n LEU 203 Cb 0.19 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2buj n LEU 203 CO 0.02 0.39 -0.08 -0.36 -1.33 0.00 0.00 177.39 176.04 2buj s PHE 204 N -2.34 3.57 -1.48 -1.77 0.40 -0.37 -4.50 117.98 111.48 2buj s PHE 204 Ca 0.22 0.54 -0.06 0.00 -0.60 0.00 0.00 56.93 57.03 2buj s PHE 204 Cb 0.19 -1.97 0.05 0.00 0.51 0.00 0.00 43.02 41.80 2buj s PHE 204 CO 0.49 0.62 0.58 0.43 0.70 0.00 0.00 175.22 178.04 2buj n SER 205 N 1.12 -1.52 -4.61 1.36 7.64 -1.26 -4.80 113.62 111.55 2buj n SER 205 Ca -0.11 -0.97 -0.54 0.00 1.01 0.00 0.00 58.87 58.25 2buj n SER 205 Cb 0.53 -3.12 -0.06 0.00 -1.01 0.00 0.00 64.21 60.54 2buj n SER 205 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2buj n VAL 206 N -4.42 0.05 -2.73 0.44 0.31 -1.26 -4.88 118.33 105.85 2buj n VAL 206 Ca -0.18 -0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 63.80 2buj n VAL 206 Cb 0.62 -0.80 -0.06 0.00 -0.91 0.00 0.00 33.84 32.70 2buj n VAL 206 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2buj s GLN 207 N 1.03 4.09 0.29 5.55 -0.21 -1.26 -4.82 119.66 124.34 2buj s GLN 207 Ca 0.88 1.19 -0.01 0.00 0.02 0.00 0.00 55.36 57.44 2buj s GLN 207 Cb -1.02 -2.15 0.42 0.00 1.00 0.00 0.00 33.01 31.26 2buj s GLN 207 CO 0.52 -0.16 1.85 0.77 -2.12 0.00 0.00 175.29 176.15 2buj h SER 208 N 1.78 0.77 -3.55 5.90 0.02 -1.90 -3.38 113.55 113.19 2buj h SER 208 Ca -0.49 -0.12 -0.60 0.00 -0.84 0.00 0.00 61.79 59.74 2buj h SER 208 Cb 1.19 -0.20 -0.38 0.00 0.14 0.00 0.00 62.40 63.15 2buj h SER 208 CO 0.60 0.73 -0.79 -1.00 -1.14 0.00 0.00 176.83 175.24 2buj s HIS 209 N -5.28 2.24 0.16 3.45 3.76 -1.25 0.16 115.29 118.53 2buj s HIS 209 Ca -0.10 -1.61 -0.24 0.00 -0.15 0.00 0.00 55.06 52.97 2buj s HIS 209 Cb 0.16 -1.53 0.08 0.00 1.11 0.00 0.00 32.58 32.40 2buj s HIS 209 CO 0.80 -0.74 1.04 0.00 -0.85 0.00 0.00 174.74 174.98 2buj s VAL 211 N -2.50 1.35 -0.26 0.00 1.01 -1.26 -0.72 120.40 118.02 2buj s VAL 211 Ca 0.19 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 2buj s VAL 211 Cb -0.02 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2buj s VAL 211 CO 0.04 0.19 0.43 -0.63 0.00 0.00 0.00 175.10 175.12 2buj s ILE 212 N 1.53 5.14 0.00 2.22 1.09 -0.07 -4.95 121.20 126.16 2buj s ILE 212 Ca 0.01 0.70 0.00 0.00 -1.10 0.00 0.00 60.65 60.25 2buj s ILE 212 Cb -0.15 -3.75 0.00 0.00 -1.06 0.00 0.00 42.46 37.50 2buj s ILE 212 CO -0.08 0.15 0.00 -0.90 -0.10 0.00 0.00 174.94 174.00 2buj n ASP 213 N 5.28 1.57 0.10 3.58 3.85 -1.26 -0.62 116.55 129.05 2buj n ASP 213 Ca -0.07 -0.51 0.11 0.00 -0.71 0.00 0.00 54.79 53.61 2buj n ASP 213 Cb 0.50 0.00 0.45 0.00 -1.35 0.00 0.00 41.12 40.73 2buj n ASP 213 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2buj n GLU 214 N -0.11 0.16 0.28 0.11 0.00 -1.12 -2.84 120.64 117.12 2buj n GLU 214 Ca 0.00 0.34 0.14 0.00 0.00 0.00 0.00 57.16 57.64 2buj n GLU 214 Cb 0.00 -1.77 0.75 0.00 0.00 0.00 0.00 31.44 30.41 2buj n GLU 214 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2buj h ARG 215 N 0.00 0.00 -0.85 3.44 9.65 -1.91 -0.72 114.38 123.99 2buj h ARG 215 Ca 0.00 0.00 0.22 0.00 -1.10 0.00 0.00 59.98 59.10 2buj h ARG 215 Cb 0.41 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 28.85 2buj h ARG 215 CO 0.00 0.00 0.15 1.15 2.80 0.00 0.00 179.97 184.07 2buj h THR 216 N 0.00 0.30 -0.01 0.20 2.02 -1.93 -1.08 112.91 112.42 2buj h THR 216 Ca 0.00 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 2buj h THR 216 Cb 0.49 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2buj h THR 216 CO 0.00 0.03 -0.28 0.44 0.37 0.00 0.00 175.52 176.08 2buj h ASP 217 N 0.16 0.01 0.34 4.18 3.32 -1.41 -3.02 116.42 120.01 2buj h ASP 217 Ca 0.51 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.44 2buj h ASP 217 Cb 0.99 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2buj h ASP 217 CO -0.68 0.30 -0.48 0.58 -1.72 0.00 0.00 179.24 177.24 2buj h VAL 218 N 0.01 1.34 0.06 -1.35 2.07 -1.30 0.03 116.25 117.11 2buj h VAL 218 Ca -0.00 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 2buj h VAL 218 Cb 0.51 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2buj h VAL 218 CO 0.04 0.50 -0.03 -0.25 0.02 0.00 0.00 177.57 177.84 2buj h TRP 219 N 0.13 -0.08 -0.66 1.57 2.91 -1.41 -2.08 115.95 116.34 2buj h TRP 219 Ca 0.01 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.08 2buj h TRP 219 Cb 0.90 0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.53 2buj h TRP 219 CO 0.01 0.26 0.37 0.77 -1.03 0.00 0.00 178.44 178.82 2buj h SER 220 N -0.43 0.56 -1.00 2.65 0.02 -1.38 -0.91 113.55 113.05 2buj h SER 220 Ca -0.01 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2buj h SER 220 Cb 0.38 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 2buj h SER 220 CO 0.01 0.36 0.64 0.25 -1.14 0.00 0.00 176.83 176.96 2buj h LEU 221 N 0.69 0.99 -0.89 5.07 5.85 -1.02 -0.13 115.31 125.88 2buj h LEU 221 Ca 0.30 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.13 2buj h LEU 221 Cb 0.17 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 2buj h LEU 221 CO -0.18 0.59 0.54 1.23 -0.34 0.00 0.00 178.44 180.28 2buj h GLY 222 N 1.10 1.38 0.95 3.75 0.00 -0.44 -0.26 103.07 109.55 2buj h GLY 222 Ca 0.46 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 2buj h GLY 222 CO -0.21 0.19 -0.09 0.00 0.00 0.00 0.00 176.54 176.43 2buj h VAL 224 N 0.49 0.91 -0.14 0.00 2.07 -0.83 0.27 116.25 119.01 2buj h VAL 224 Ca 0.09 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2buj h VAL 224 Cb 0.60 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2buj h VAL 224 CO 0.04 0.09 0.09 0.25 0.02 0.00 0.00 177.57 178.06 2buj h LEU 225 N 0.51 0.15 -0.51 2.57 5.85 -0.83 -0.05 115.31 122.99 2buj h LEU 225 Ca 0.26 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.07 2buj h LEU 225 Cb 0.20 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 2buj h LEU 225 CO -0.20 0.11 0.05 0.22 -0.34 0.00 0.00 178.44 178.28 2buj h TYR 226 N 0.18 0.06 -0.63 1.25 3.20 -0.84 -0.34 116.97 119.85 2buj h TYR 226 Ca 0.05 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.01 2buj h TYR 226 Cb -0.01 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 2buj h TYR 226 CO -0.08 -0.07 0.34 0.00 -1.64 0.00 0.00 178.16 176.71 2buj h ALA 227 N 1.43 0.83 -0.20 1.82 0.00 -0.13 0.86 119.26 123.87 2buj h ALA 227 Ca 0.26 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2buj h ALA 227 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2buj h ALA 227 CO -0.39 0.01 -0.10 0.52 0.00 0.00 0.00 179.25 179.30 2buj h MET 228 N 0.64 0.31 0.00 0.00 2.86 -0.25 -0.12 114.93 118.37 2buj h MET 228 Ca 0.28 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 2buj h MET 228 Cb 0.17 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2buj h MET 228 CO -0.18 0.42 -0.88 0.52 1.06 0.00 0.00 176.91 177.85 2buj h MET 229 N 0.30 0.00 0.00 1.72 2.07 -0.04 -3.40 114.93 115.58 2buj h MET 229 Ca 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 2buj h MET 229 Cb 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 2buj h MET 229 CO 0.02 0.14 0.00 1.19 1.07 0.00 0.00 176.91 179.33 2buj n PHE 230 N -2.87 0.00 -0.73 -0.22 3.01 0.20 -5.02 117.46 111.83 2buj n PHE 230 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2buj n PHE 230 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 2buj n PHE 230 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2buj n GLY 231 N 0.02 1.14 3.34 1.37 0.00 -0.06 -5.00 105.19 105.99 2buj n GLY 231 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2buj n GLY 231 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2buj s GLU 232 N -0.16 1.10 0.61 1.61 -1.05 -1.23 -4.88 118.70 114.70 2buj s GLU 232 Ca 0.00 -0.77 -0.17 0.00 -0.15 0.00 0.00 54.97 53.88 2buj s GLU 232 Cb 0.00 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 34.13 2buj s GLU 232 CO 0.00 -0.43 1.11 0.20 0.95 0.00 0.00 175.26 177.09 2buj s GLY 233 N -2.83 2.32 0.04 -3.83 0.00 -1.26 -3.52 107.32 98.25 2buj s GLY 233 Ca 0.05 0.62 0.18 0.00 0.00 0.00 0.00 44.72 45.57 2buj s GLY 233 CO -0.10 0.97 1.57 -1.55 0.00 0.00 0.00 173.10 173.99 2buj n PRO 234 N -1.97 0.03 -0.11 2.90 -0.04 -1.26 -2.87 135.00 131.68 2buj n PRO 234 Ca 0.11 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.87 2buj n PRO 234 Cb 0.52 -1.56 0.10 0.00 -0.04 0.00 0.00 33.50 32.51 2buj n PRO 234 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2buj n TYR 235 N -1.63 0.00 0.07 0.54 4.01 -1.26 -4.81 117.16 114.08 2buj n TYR 235 Ca 0.04 -0.77 -0.13 0.00 -0.16 0.00 0.00 57.90 56.87 2buj n TYR 235 Cb 0.21 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 2buj n TYR 235 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2buj h ASP 236 N 0.00 0.51 -0.53 7.72 3.32 -1.86 -1.89 116.42 123.69 2buj h ASP 236 Ca 0.00 -0.42 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 2buj h ASP 236 Cb 0.96 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2buj h ASP 236 CO 0.00 1.23 -0.03 0.24 -1.72 0.00 0.00 179.24 178.95 2buj h MET 237 N 0.21 0.99 0.28 3.56 2.86 -1.87 -0.09 114.93 120.86 2buj h MET 237 Ca -0.08 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 2buj h MET 237 Cb 1.61 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.19 2buj h MET 237 CO 0.17 0.99 -0.14 0.28 1.06 0.00 0.00 176.91 179.27 2buj h VAL 238 N 0.90 0.73 0.17 -2.22 2.07 -1.90 0.19 116.25 116.20 2buj h VAL 238 Ca 0.16 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2buj h VAL 238 Cb 0.57 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2buj h VAL 238 CO 0.03 0.02 -0.37 0.15 0.02 0.00 0.00 177.57 177.42 2buj h PHE 239 N -0.41 -1.01 0.00 1.57 3.57 -1.30 -2.48 116.94 116.88 2buj h PHE 239 Ca -0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2buj h PHE 239 Cb 0.32 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2buj h PHE 239 CO -0.05 -0.48 -0.24 1.96 -2.23 0.00 0.00 178.31 177.27 2buj h GLN 240 N -0.63 0.00 -0.85 1.11 1.08 -0.93 -1.85 115.11 113.03 2buj h GLN 240 Ca 0.02 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.95 2buj h GLN 240 Cb 0.64 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.91 2buj h GLN 240 CO -0.18 0.24 0.33 0.36 -0.95 0.00 0.00 178.83 178.63 2buj n LYS 241 N -3.72 3.00 -0.33 1.46 -0.00 0.67 -4.97 118.16 114.26 2buj n LYS 241 Ca -0.01 -2.61 0.00 0.00 -0.00 0.00 0.00 58.31 55.68 2buj n LYS 241 Cb 0.35 -2.07 0.00 0.00 -0.00 0.00 0.00 35.03 33.32 2buj n LYS 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2buj n GLY 242 N -0.32 0.47 1.97 2.58 0.00 -0.70 -4.96 105.19 104.23 2buj n GLY 242 Ca 0.40 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 2buj n GLY 242 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2buj n ASP 243 N 0.00 -0.09 -4.53 1.61 5.75 -0.97 -4.98 116.55 113.35 2buj n ASP 243 Ca 0.00 -1.21 -0.43 0.00 -0.01 0.00 0.00 54.79 53.14 2buj n ASP 243 Cb 0.00 -0.52 -0.05 0.00 -1.03 0.00 0.00 41.12 39.51 2buj n ASP 243 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2buj s SER 244 N -3.46 6.37 0.19 -1.12 0.15 -1.26 -4.58 113.70 109.98 2buj s SER 244 Ca 0.39 -0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.65 2buj s SER 244 Cb -0.01 -2.37 0.11 0.00 -1.71 0.00 0.00 66.02 62.03 2buj s SER 244 CO 0.27 -0.94 1.82 0.58 1.20 0.00 0.00 173.24 176.17 2buj h VAL 245 N 5.96 1.19 -0.98 4.45 2.07 -1.94 -2.67 116.25 124.34 2buj h VAL 245 Ca -0.25 -0.45 0.13 0.00 0.82 0.00 0.00 66.70 66.95 2buj h VAL 245 Cb 1.09 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.09 2buj h VAL 245 CO 0.97 0.20 0.60 0.00 0.02 0.00 0.00 177.57 179.37 2buj h ALA 246 N 1.19 1.51 -0.07 1.67 0.00 -1.92 0.13 119.26 121.76 2buj h ALA 246 Ca 0.23 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 2buj h ALA 246 Cb -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2buj h ALA 246 CO -0.04 0.14 -0.56 -0.07 0.00 0.00 0.00 179.25 178.72 2buj h LEU 247 N 0.91 0.62 -0.10 0.00 3.38 -1.94 -3.06 115.31 115.13 2buj h LEU 247 Ca 0.51 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 57.82 2buj h LEU 247 Cb 0.57 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2buj h LEU 247 CO -0.29 1.20 -0.03 0.00 0.09 0.00 0.00 178.44 179.40 2buj h ALA 248 N 0.43 0.05 -0.85 1.53 0.00 -1.05 -2.49 119.26 116.88 2buj h ALA 248 Ca -0.05 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2buj h ALA 248 Cb 1.22 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2buj h ALA 248 CO 0.11 -0.50 0.55 0.28 0.00 0.00 0.00 179.25 179.69 2buj h VAL 249 N -0.02 0.93 0.00 0.00 2.07 -0.86 -1.78 116.25 116.60 2buj h VAL 249 Ca 0.05 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2buj h VAL 249 Cb 0.09 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2buj h VAL 249 CO -0.11 0.14 -0.01 1.56 0.02 0.00 0.00 177.57 179.17 2buj h GLN 250 N 0.77 0.00 -7.09 1.57 7.50 -1.36 -3.44 115.11 113.06 2buj h GLN 250 Ca 0.40 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 59.09 2buj h GLN 250 Cb 0.49 0.00 0.07 0.00 0.05 0.00 0.00 27.48 28.09 2buj h GLN 250 CO -0.17 0.01 0.09 0.54 -1.50 0.00 0.00 178.83 177.81 2buj s ASN 251 N -6.01 4.65 0.21 1.46 6.03 -0.67 -5.06 114.94 115.56 2buj s ASN 251 Ca 0.05 -0.10 -0.13 0.00 -1.03 0.00 0.00 52.86 51.64 2buj s ASN 251 Cb 0.07 -0.46 0.00 0.00 -3.03 0.00 0.00 41.25 37.83 2buj s ASN 251 CO 0.62 -1.64 0.45 -1.10 -2.03 0.00 0.00 177.10 173.40 2buj s GLN 252 N -5.07 1.40 -0.08 3.55 -1.52 -1.26 -4.93 119.66 111.75 2buj s GLN 252 Ca 0.63 -1.11 -0.06 0.00 -1.95 0.00 0.00 55.36 52.87 2buj s GLN 252 Cb -0.08 0.46 0.03 0.00 -0.22 0.00 0.00 33.01 33.21 2buj s GLN 252 CO 0.43 -0.57 0.19 0.42 -0.25 0.00 0.00 175.29 175.51 2buj s ILE 255 N -3.96 -0.02 0.56 1.08 -1.09 -1.26 -5.20 121.20 111.31 2buj s ILE 255 Ca 0.17 0.06 -0.19 0.00 -2.23 0.00 0.00 60.65 58.45 2buj s ILE 255 Cb 0.00 -0.28 -0.05 0.00 -1.58 0.00 0.00 42.46 40.55 2buj s ILE 255 CO 0.03 0.02 1.13 -2.84 -1.23 0.00 0.00 174.94 172.05 2buj s PRO 256 N 0.48 3.28 -1.11 2.79 0.02 -1.26 -5.00 135.00 134.21 2buj s PRO 256 Ca -0.03 1.60 -0.04 0.00 0.02 0.00 0.00 61.00 62.55 2buj s PRO 256 Cb -0.05 -2.00 0.28 0.00 0.02 0.00 0.00 34.50 32.76 2buj s PRO 256 CO -0.02 -0.91 1.74 1.04 -0.33 0.00 0.00 177.00 178.52 2buj n GLN 257 N -1.43 4.77 -1.68 5.54 3.00 -1.26 -5.01 117.38 121.31 2buj n GLN 257 Ca 0.12 -4.38 -0.43 0.00 -0.01 0.00 0.00 57.00 52.30 2buj n GLN 257 Cb 0.51 -2.55 -0.03 0.00 0.00 0.00 0.00 30.24 28.17 2buj n GLN 257 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2buj s SER 258 N -1.14 5.64 0.00 1.08 0.15 -1.26 -4.84 113.70 113.33 2buj s SER 258 Ca 0.37 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.91 2buj s SER 258 Cb 0.12 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2buj s SER 258 CO -0.01 -1.81 0.14 -2.65 1.20 0.00 0.00 173.24 170.10 2buj n PRO 259 N 8.56 0.16 0.00 5.44 -0.02 -1.26 -1.38 135.00 146.49 2buj n PRO 259 Ca 0.28 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.89 2buj n PRO 259 Cb 0.45 -1.32 0.41 0.00 -0.02 0.00 0.00 33.50 33.02 2buj n PRO 259 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2buj n ARG 260 N 0.78 1.35 -4.63 -0.52 1.74 -1.26 -4.90 116.66 109.22 2buj n ARG 260 Ca 0.00 -0.84 -0.27 0.00 -0.77 0.00 0.00 57.85 55.97 2buj n ARG 260 Cb 0.07 -1.48 -0.17 0.00 -1.02 0.00 0.00 32.46 29.86 2buj n ARG 260 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2buj s HIS 261 N -2.23 1.84 0.71 -1.55 3.76 -0.48 -4.65 115.29 112.70 2buj s HIS 261 Ca 0.31 -0.78 -0.16 0.00 -0.15 0.00 0.00 55.06 54.28 2buj s HIS 261 Cb 0.20 -1.32 -0.01 0.00 1.11 0.00 0.00 32.58 32.56 2buj s HIS 261 CO 0.42 -0.38 0.86 -1.13 -0.85 0.00 0.00 174.74 173.66 2buj n SER 262 N 3.94 0.10 0.22 1.40 3.41 -1.26 -4.87 113.62 116.55 2buj n SER 262 Ca -0.20 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.15 2buj n SER 262 Cb 0.52 -1.36 0.47 0.00 -0.26 0.00 0.00 64.21 63.58 2buj n SER 262 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2buj h SER 263 N -0.21 0.00 -0.54 4.04 4.64 -1.98 -2.41 113.55 117.08 2buj h SER 263 Ca -0.47 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.90 2buj h SER 263 Cb 1.34 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.38 2buj h SER 263 CO 0.46 0.27 0.28 0.00 -0.87 0.00 0.00 176.83 176.97 2buj h ALA 264 N 1.73 0.70 -0.38 5.18 0.00 -1.99 0.23 119.26 124.73 2buj h ALA 264 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2buj h ALA 264 Cb 0.69 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2buj h ALA 264 CO 0.03 -0.06 -0.17 1.25 0.00 0.00 0.00 179.25 180.31 2buj h LEU 265 N 0.54 0.70 -0.93 0.00 5.85 -1.83 -2.28 115.31 117.36 2buj h LEU 265 Ca 0.24 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2buj h LEU 265 Cb 0.14 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2buj h LEU 265 CO -0.16 0.88 -0.29 -0.25 -0.34 0.00 0.00 178.44 178.27 2buj h TRP 266 N 0.63 0.49 -0.33 1.25 7.01 -0.95 -2.00 115.95 122.05 2buj h TRP 266 Ca 0.10 -0.11 -0.13 0.00 2.11 0.00 0.00 58.89 60.86 2buj h TRP 266 Cb 0.64 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2buj h TRP 266 CO 0.03 0.68 -0.33 1.96 -2.79 0.00 0.00 178.44 177.99 2buj h GLN 267 N 0.38 0.73 0.03 2.65 4.20 -0.33 -1.97 115.11 120.79 2buj h GLN 267 Ca 0.05 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 2buj h GLN 267 Cb 0.71 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2buj h GLN 267 CO 0.05 0.95 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.08 2buj h LEU 268 N 0.61 -0.03 -0.59 1.46 3.38 -1.12 -2.14 115.31 116.88 2buj h LEU 268 Ca 0.07 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2buj h LEU 268 Cb 0.86 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 2buj h LEU 268 CO 0.07 0.01 0.33 0.25 0.09 0.00 0.00 178.44 179.19 2buj h LEU 269 N -0.07 0.49 -0.31 1.67 5.85 -1.35 -2.53 115.31 119.07 2buj h LEU 269 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2buj h LEU 269 Cb 0.06 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2buj h LEU 269 CO 0.01 0.33 0.20 0.78 -0.34 0.00 0.00 178.44 179.42 2buj h ASN 270 N 0.62 0.35 -0.79 1.25 2.35 -1.17 -2.23 115.58 115.97 2buj h ASN 270 Ca 0.26 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2buj h ASN 270 Cb 0.13 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 2buj h ASN 270 CO -0.15 0.26 0.49 0.77 -1.65 0.00 0.00 177.43 177.15 2buj h SER 271 N 0.42 0.94 -0.37 5.81 4.64 -1.27 -2.98 113.55 120.74 2buj h SER 271 Ca 0.11 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.26 2buj h SER 271 Cb -0.05 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 2buj h SER 271 CO -0.02 0.71 -0.26 0.24 -0.87 0.00 0.00 176.83 176.62 2buj h MET 272 N 1.09 0.83 -1.86 4.77 2.86 -1.33 -3.20 114.93 118.10 2buj h MET 272 Ca 0.29 -0.40 -0.48 0.00 -2.06 0.00 0.00 59.70 57.05 2buj h MET 272 Cb -0.07 -0.00 -0.18 0.00 0.06 0.00 0.00 31.60 31.41 2buj h MET 272 CO -0.06 1.04 0.43 -1.33 1.06 0.00 0.00 176.91 178.06 2buj n MET 273 N -4.20 2.29 -3.41 1.72 2.00 -0.85 -4.09 117.12 110.59 2buj n MET 273 Ca -0.02 -2.25 -0.38 0.00 0.00 0.00 0.00 57.70 55.05 2buj n MET 273 Cb 0.47 -2.04 -0.06 0.00 0.00 0.00 0.00 33.22 31.59 2buj n MET 273 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2buj s THR 274 N -2.44 4.98 0.03 2.03 -4.23 -1.20 -4.96 115.64 109.85 2buj s THR 274 Ca 0.53 0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 61.83 2buj s THR 274 Cb 0.36 -3.78 -0.25 0.00 1.34 0.00 0.00 72.50 70.17 2buj s THR 274 CO -0.18 0.53 1.10 0.58 -0.54 0.00 0.00 174.62 176.12 2buj h VAL 275 N 3.83 1.37 -3.12 2.29 2.07 -1.93 -3.41 116.25 117.35 2buj h VAL 275 Ca -0.49 -2.25 -0.57 0.00 0.82 0.00 0.00 66.70 64.21 2buj h VAL 275 Cb 1.21 2.63 -0.05 0.00 -1.52 0.00 0.00 31.29 33.56 2buj h VAL 275 CO 0.64 0.67 1.09 -0.62 0.02 0.00 0.00 177.57 179.38 2buj s ASP 276 N -7.06 6.32 0.61 0.57 2.15 -1.26 -4.67 116.67 113.34 2buj s ASP 276 Ca -0.12 1.04 0.39 0.00 0.43 0.00 0.00 52.55 54.29 2buj s ASP 276 Cb 0.04 -2.54 1.99 0.00 -0.30 0.00 0.00 42.92 42.11 2buj s ASP 276 CO 0.87 -1.40 2.23 1.55 -0.17 0.00 0.00 175.17 178.24 2buj h PRO 277 N 10.82 0.00 0.00 4.34 0.13 -1.95 -1.73 132.00 143.60 2buj h PRO 277 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 2buj h PRO 277 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2buj h PRO 277 CO 1.06 0.02 -0.19 0.45 -0.23 0.00 0.00 178.00 179.10 2buj h HIS 278 N 0.00 0.00 -0.39 1.56 3.86 -1.95 -2.51 115.15 115.71 2buj h HIS 278 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2buj h HIS 278 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2buj h HIS 278 CO 0.00 0.19 0.00 1.04 0.86 0.00 0.00 177.93 180.02 2buj n GLN 279 N -3.78 2.40 -3.57 2.45 1.13 -0.66 -4.93 117.38 110.43 2buj n GLN 279 Ca -0.02 -2.13 -0.38 0.00 -1.94 0.00 0.00 57.00 52.54 2buj n GLN 279 Cb 0.30 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 2buj n GLN 279 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2buj s ARG 280 N -1.49 3.84 0.68 -1.09 3.52 -0.95 -4.95 118.95 118.51 2buj s ARG 280 Ca 0.39 0.31 -0.13 0.00 -0.13 0.00 0.00 55.73 56.17 2buj s ARG 280 Cb 0.22 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 2buj s ARG 280 CO 0.31 0.70 1.07 -1.25 -0.81 0.00 0.00 175.30 175.31 2buj s PRO 281 N -1.03 2.89 0.55 5.12 0.04 -1.26 -5.01 135.00 136.29 2buj s PRO 281 Ca 0.22 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.34 2buj s PRO 281 Cb -0.16 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2buj s PRO 281 CO 0.12 -1.15 0.86 -1.01 0.04 0.00 0.00 177.00 175.86 2buj s HIS 282 N -2.74 3.39 0.16 0.56 3.76 -1.26 -4.92 115.29 114.25 2buj s HIS 282 Ca 0.62 0.75 -0.15 0.00 -0.15 0.00 0.00 55.06 56.12 2buj s HIS 282 Cb -0.16 -2.57 0.09 0.00 1.11 0.00 0.00 32.58 31.05 2buj s HIS 282 CO 0.48 -0.60 1.75 0.82 -0.85 0.00 0.00 174.74 176.34 2buj h ILE 283 N -0.03 0.89 -0.91 0.60 5.03 -1.97 -2.26 117.51 118.87 2buj h ILE 283 Ca -0.46 -0.10 0.14 0.00 -0.12 0.00 0.00 64.86 64.32 2buj h ILE 283 Cb 1.23 0.56 -0.07 0.00 -3.03 0.00 0.00 36.82 35.51 2buj h ILE 283 CO 0.61 0.06 0.58 -0.65 -0.68 0.00 0.00 178.15 178.07 2buj h PRO 284 N 0.30 0.69 -0.19 2.37 0.11 -1.95 0.73 132.00 134.06 2buj h PRO 284 Ca 0.18 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 2buj h PRO 284 Cb 0.16 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2buj h PRO 284 CO -0.18 0.46 -0.12 1.25 -0.21 0.00 0.00 178.00 179.20 2buj h LEU 285 N 0.71 0.44 -0.72 2.35 5.85 -1.83 -2.19 115.31 119.93 2buj h LEU 285 Ca 0.46 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2buj h LEU 285 Cb 0.72 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 2buj h LEU 285 CO -0.22 0.77 0.40 -0.07 -0.34 0.00 0.00 178.44 178.99 2buj h LEU 286 N 0.11 0.60 -0.90 2.25 3.38 -0.83 -1.43 115.31 118.50 2buj h LEU 286 Ca 0.04 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2buj h LEU 286 Cb 0.62 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2buj h LEU 286 CO 0.03 0.38 0.56 -0.07 0.09 0.00 0.00 178.44 179.43 2buj h LEU 287 N 0.73 1.06 -0.74 1.67 3.38 -0.83 0.21 115.31 120.80 2buj h LEU 287 Ca 0.32 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.29 2buj h LEU 287 Cb 0.21 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2buj h LEU 287 CO -0.19 0.80 0.44 0.28 0.09 0.00 0.00 178.44 179.86 2buj h SER 288 N 1.23 0.70 -0.26 -0.43 0.02 -0.69 0.18 113.55 114.30 2buj h SER 288 Ca 0.32 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.18 2buj h SER 288 Cb -0.08 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2buj h SER 288 CO -0.06 0.46 -0.25 1.56 -1.14 0.00 0.00 176.83 177.39 2buj h GLN 289 N 0.83 0.62 0.26 3.45 4.20 -0.71 -3.05 115.11 120.71 2buj h GLN 289 Ca 0.32 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2buj h GLN 289 Cb 0.12 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2buj h GLN 289 CO -0.15 0.93 -0.12 1.25 -0.67 0.00 0.00 178.83 180.06 2buj h LEU 290 N 0.34 -0.29 -2.54 1.46 5.85 -0.34 -3.16 115.31 116.63 2buj h LEU 290 Ca 0.04 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2buj h LEU 290 Cb 0.81 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2buj h LEU 290 CO 0.06 -0.13 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.70 2buj h GLU 291 N -0.44 0.00 0.00 1.25 5.08 -0.72 -0.91 114.58 118.84 2buj h GLU 291 Ca -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2buj h GLU 291 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2buj h GLU 291 CO 0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 178.01 2buj h ALA 292 N 2.00 1.00 0.00 3.43 0.00 -1.49 -2.15 119.26 122.05 2buj h ALA 292 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2buj h ALA 292 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2buj h ALA 292 CO 0.00 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2buj n LEU 293 N -3.17 0.00 -3.73 0.00 4.32 -0.35 -4.95 117.00 109.12 2buj n LEU 293 Ca 0.01 0.14 -0.28 0.00 -0.02 0.00 0.00 56.01 55.86 2buj n LEU 293 Cb 0.36 -0.14 0.02 0.00 -1.62 0.00 0.00 43.42 42.04 2buj n LEU 293 CO 0.30 -0.01 -0.11 0.00 -1.22 0.00 0.00 177.39 176.35 2buj n GLN 294 N -1.14 -1.14 -1.86 3.23 6.02 -0.81 -4.85 117.38 116.83 2buj n GLN 294 Ca 0.18 0.63 -0.42 0.00 -0.01 0.00 0.00 57.00 57.38 2buj n GLN 294 Cb 0.16 -3.24 -0.03 0.00 1.02 0.00 0.00 30.24 28.15 2buj n GLN 294 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2buj s PRO 295 N -5.49 4.18 0.21 -1.09 0.02 -1.26 -4.99 135.00 126.58 2buj s PRO 295 Ca 0.23 2.46 -0.28 0.00 0.02 0.00 0.00 61.00 63.42 2buj s PRO 295 Cb -0.10 -3.10 -0.09 0.00 0.02 0.00 0.00 34.50 31.23 2buj s PRO 295 CO 0.89 -0.62 0.87 -1.25 -0.33 0.00 0.00 177.00 176.56 2buj s PRO 296 N 0.64 4.74 0.87 5.54 0.04 -1.26 -4.95 135.00 140.62 2buj s PRO 296 Ca 0.69 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2buj s PRO 296 Cb -0.46 -3.27 0.11 0.00 0.04 0.00 0.00 34.50 30.92 2buj s PRO 296 CO 0.36 0.54 1.10 0.00 0.04 0.00 0.00 177.00 179.04 2buj s ALA 297 N -1.17 1.70 0.35 8.56 0.00 -1.26 -4.60 121.76 125.34 2buj s ALA 297 Ca 0.39 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.33 2buj s ALA 297 Cb -0.25 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 2buj s ALA 297 CO 0.30 -2.31 1.01 -1.25 0.00 0.00 0.00 175.76 173.51 2buj s PRO 298 N -4.82 4.42 0.00 0.00 0.04 -1.26 -5.10 135.00 128.28 2buj s PRO 298 Ca 0.64 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2buj s PRO 298 Cb -0.19 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2buj s PRO 298 CO 0.57 0.10 0.00 0.41 0.04 0.00 0.00 177.00 178.12