#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbg s THR 2 N 0.00 5.07 0.43 1.12 2.01 -1.26 -5.05 115.64 117.95 1pbg s THR 2 Ca 0.00 1.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.95 1pbg s THR 2 Cb 0.00 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 1pbg s THR 2 CO 0.00 0.19 0.99 -0.54 -0.69 0.00 0.00 174.62 174.57 1pbg s LYS 3 N 1.40 4.14 0.19 4.92 -0.14 -1.26 -4.97 119.74 124.02 1pbg s LYS 3 Ca 0.29 1.29 0.03 0.00 -1.36 0.00 0.00 55.97 56.22 1pbg s LYS 3 Cb -0.16 -2.30 -0.05 0.00 -1.68 0.00 0.00 37.83 33.64 1pbg s LYS 3 CO 0.12 -0.13 -0.02 0.95 -0.76 0.00 0.00 175.35 175.51 1pbg s THR 4 N -1.96 0.93 0.20 2.17 -4.23 -1.26 -1.50 115.64 109.99 1pbg s THR 4 Ca 0.61 -2.02 0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1pbg s THR 4 Cb -0.15 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 1pbg s THR 4 CO 0.19 -0.47 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.82 1pbg s LEU 5 N -3.23 2.46 0.61 4.79 1.43 -0.05 -4.77 118.68 119.92 1pbg s LEU 5 Ca 0.24 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.26 1pbg s LEU 5 Cb 0.05 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1pbg s LEU 5 CO 0.05 0.07 1.30 -0.81 0.23 0.00 0.00 176.35 177.19 1pbg n PRO 6 N 0.14 1.29 0.25 1.29 -0.04 -1.26 -4.87 135.00 131.79 1pbg n PRO 6 Ca -0.12 0.49 0.14 0.00 -0.04 0.00 0.00 63.50 63.98 1pbg n PRO 6 Cb 0.57 -2.53 0.81 0.00 -0.04 0.00 0.00 33.50 32.31 1pbg n PRO 6 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1pbg h LYS 7 N 0.82 0.00 -0.02 0.54 3.64 -1.99 -1.90 116.57 117.67 1pbg h LYS 7 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1pbg h LYS 7 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1pbg h LYS 7 CO 0.54 0.00 -0.10 -0.40 -2.27 0.00 0.00 179.45 177.22 1pbg n ASP 8 N -4.07 1.83 -4.61 4.20 5.68 -1.26 -4.98 116.55 113.34 1pbg n ASP 8 Ca -0.01 -1.50 -0.43 0.00 -0.50 0.00 0.00 54.79 52.34 1pbg n ASP 8 Cb 0.17 0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.22 1pbg n ASP 8 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1pbg n PHE 9 N 0.27 1.39 -3.68 2.11 7.35 -0.72 -4.96 117.46 119.23 1pbg n PHE 9 Ca 0.15 0.65 -0.36 0.00 -0.76 0.00 0.00 57.45 57.13 1pbg n PHE 9 Cb 0.43 -2.27 -0.09 0.00 0.35 0.00 0.00 39.48 37.90 1pbg n PHE 9 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1pbg s ILE 10 N -1.12 5.37 -0.59 -2.13 -4.36 -0.84 -4.98 121.20 112.56 1pbg s ILE 10 Ca 0.59 0.22 -0.13 0.00 -0.26 0.00 0.00 60.65 61.07 1pbg s ILE 10 Cb -0.65 -3.50 0.15 0.00 1.25 0.00 0.00 42.46 39.71 1pbg s ILE 10 CO 0.60 0.39 0.52 -0.36 0.24 0.00 0.00 174.94 176.32 1pbg s PHE 11 N 0.73 3.41 0.44 1.37 0.08 -1.26 -1.57 117.98 121.18 1pbg s PHE 11 Ca 0.09 -1.65 0.05 0.00 0.12 0.00 0.00 56.93 55.53 1pbg s PHE 11 Cb -0.12 -3.71 0.05 0.00 -0.57 0.00 0.00 43.02 38.67 1pbg s PHE 11 CO 0.02 -1.00 0.38 0.41 -0.10 0.00 0.00 175.22 174.93 1pbg n GLY 12 N 4.81 2.65 2.91 4.36 0.00 0.11 -1.57 105.19 118.47 1pbg n GLY 12 Ca -0.06 -2.26 -0.11 0.00 0.00 0.00 0.00 46.02 43.59 1pbg n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pbg s GLY 13 N -3.75 0.09 0.16 -0.02 0.00 -0.86 -2.33 107.32 100.61 1pbg s GLY 13 Ca 0.29 -0.22 0.07 0.00 0.00 0.00 0.00 44.72 44.86 1pbg s GLY 13 CO 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 173.10 173.03 1pbg s ALA 14 N -0.54 3.18 0.21 3.20 0.00 0.56 -1.82 121.76 126.54 1pbg s ALA 14 Ca -0.06 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.48 1pbg s ALA 14 Cb -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 1pbg s ALA 14 CO -0.00 0.50 0.30 0.95 0.00 0.00 0.00 175.76 177.51 1pbg s THR 15 N -1.67 0.01 0.01 0.00 -4.23 -0.70 -1.29 115.64 107.77 1pbg s THR 15 Ca 0.27 -1.64 -0.05 0.00 -1.18 0.00 0.00 61.69 59.09 1pbg s THR 15 Cb -0.09 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 1pbg s THR 15 CO 0.18 -0.07 0.08 0.00 -0.54 0.00 0.00 174.62 174.27 1pbg s ALA 16 N -4.06 -0.16 0.02 3.99 0.00 -1.26 -4.31 121.76 115.96 1pbg s ALA 16 Ca 0.28 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.89 1pbg s ALA 16 Cb 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1pbg s ALA 16 CO 0.08 -0.18 1.10 0.00 0.00 0.00 0.00 175.76 176.76 1pbg h ALA 17 N 4.48 -0.77 0.00 0.00 0.00 -1.91 -2.02 119.26 119.04 1pbg h ALA 17 Ca -0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1pbg h ALA 17 Cb 1.20 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1pbg h ALA 17 CO 0.41 -0.78 -0.04 -0.92 0.00 0.00 0.00 179.25 177.91 1pbg h TYR 18 N -0.17 0.00 0.00 0.00 3.20 -1.92 0.20 116.97 118.28 1pbg h TYR 18 Ca -0.01 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.70 1pbg h TYR 18 Cb 0.15 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1pbg h TYR 18 CO -0.16 0.04 -0.78 1.96 -1.64 0.00 0.00 178.16 177.58 1pbg h GLN 19 N 0.00 0.00 0.00 1.82 4.20 -1.84 -3.41 115.11 115.88 1pbg h GLN 19 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1pbg h GLN 19 Cb 0.09 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1pbg h GLN 19 CO 0.01 0.74 -1.81 0.00 -0.67 0.00 0.00 178.83 177.09 1pbg n ALA 20 N -2.29 1.71 0.09 3.87 0.00 -0.76 -1.96 120.51 121.16 1pbg n ALA 20 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 1pbg n ALA 20 Cb 0.84 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 20.41 1pbg n ALA 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pbg h GLU 21 N -0.02 -0.26 0.00 0.00 5.08 -1.16 -0.08 114.58 118.14 1pbg h GLU 21 Ca -0.32 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1pbg h GLU 21 Cb 1.49 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1pbg h GLU 21 CO -0.06 -0.17 0.00 0.41 -1.00 0.00 0.00 179.01 178.19 1pbg n GLY 22 N -1.26 -0.83 3.95 -3.84 0.00 -1.26 -2.37 105.19 99.59 1pbg n GLY 22 Ca -0.07 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 1pbg n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pbg n ALA 23 N 3.74 -1.98 0.20 4.61 0.00 -1.26 -4.85 120.51 120.97 1pbg n ALA 23 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.24 1pbg n ALA 23 Cb 0.00 -1.59 0.43 0.00 0.00 0.00 0.00 19.45 18.28 1pbg n ALA 23 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pbg h THR 24 N -1.83 1.06 0.00 0.00 2.02 -1.92 -3.19 112.91 109.05 1pbg h THR 24 Ca -0.63 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1pbg h THR 24 Cb 1.37 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1pbg h THR 24 CO 0.63 0.32 -0.07 1.41 0.37 0.00 0.00 175.52 178.17 1pbg n HIS 25 N -3.91 0.00 -4.29 3.16 8.25 -1.26 -4.78 115.22 112.39 1pbg n HIS 25 Ca -0.02 -0.75 -0.23 0.00 -0.26 0.00 0.00 57.72 56.46 1pbg n HIS 25 Cb 0.39 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 1pbg n HIS 25 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1pbg s THR 26 N -2.10 3.37 -1.41 1.59 -4.23 -1.21 -4.76 115.64 106.89 1pbg s THR 26 Ca 0.22 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1pbg s THR 26 Cb 0.19 -2.84 0.01 0.00 1.34 0.00 0.00 72.50 71.20 1pbg s THR 26 CO 0.02 -0.36 0.48 0.47 -0.54 0.00 0.00 174.62 174.69 1pbg n ASP 27 N -0.91 -0.62 -0.39 3.99 8.00 -1.26 -2.05 116.55 123.30 1pbg n ASP 27 Ca -0.06 -0.98 -0.05 0.00 0.71 0.00 0.00 54.79 54.41 1pbg n ASP 27 Cb 0.59 -3.19 -0.02 0.00 -0.02 0.00 0.00 41.12 38.48 1pbg n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pbg n GLY 28 N -1.90 0.63 3.74 0.44 0.00 -1.26 -4.45 105.19 102.39 1pbg n GLY 28 Ca -0.29 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1pbg n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pbg s LYS 29 N -2.02 4.23 0.34 1.61 2.20 -0.87 -4.69 119.74 120.54 1pbg s LYS 29 Ca 0.00 2.36 -0.11 0.00 -0.36 0.00 0.00 55.97 57.87 1pbg s LYS 29 Cb 0.00 -3.09 -0.07 0.00 -1.51 0.00 0.00 37.83 33.16 1pbg s LYS 29 CO 0.00 -0.48 0.69 0.20 -0.36 0.00 0.00 175.35 175.41 1pbg s GLY 30 N 0.44 2.08 0.58 5.54 0.00 0.98 -4.79 107.32 112.16 1pbg s GLY 30 Ca 0.61 -0.21 -0.17 0.00 0.00 0.00 0.00 44.72 44.95 1pbg s GLY 30 CO 0.43 -0.04 1.07 2.56 0.00 0.00 0.00 173.10 177.13 1pbg s PRO 31 N -3.42 3.30 0.28 2.90 0.04 -1.26 -4.73 135.00 132.12 1pbg s PRO 31 Ca 0.50 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.93 1pbg s PRO 31 Cb -0.10 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1pbg s PRO 31 CO 0.26 -0.84 -0.10 0.14 0.04 0.00 0.00 177.00 176.50 1pbg s VAL 32 N -2.29 1.92 0.33 -0.36 -7.23 -1.26 0.09 120.40 111.60 1pbg s VAL 32 Ca 0.66 -2.20 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 1pbg s VAL 32 Cb -0.18 -2.40 0.31 0.00 0.56 0.00 0.00 36.38 34.67 1pbg s VAL 32 CO 0.34 -0.34 1.81 0.00 -0.31 0.00 0.00 175.10 176.60 1pbg h ALA 33 N 2.27 1.76 -0.36 1.32 0.00 -1.90 -1.58 119.26 120.76 1pbg h ALA 33 Ca -0.40 0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1pbg h ALA 33 Cb 1.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1pbg h ALA 33 CO 0.66 -0.09 0.29 -1.49 0.00 0.00 0.00 179.25 178.62 1pbg h TRP 34 N 0.73 0.00 0.50 0.00 4.06 -1.95 -2.85 115.95 116.45 1pbg h TRP 34 Ca 0.54 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.47 1pbg h TRP 34 Cb 0.87 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.01 1pbg h TRP 34 CO -0.00 0.00 -0.47 -0.44 -3.56 0.00 0.00 178.44 173.97 1pbg h ASP 35 N 0.00 -1.27 -0.03 -3.49 3.32 -1.70 0.69 116.42 113.94 1pbg h ASP 35 Ca 0.17 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1pbg h ASP 35 Cb 0.75 0.41 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1pbg h ASP 35 CO -0.00 -0.64 -0.01 0.11 -1.72 0.00 0.00 179.24 176.98 1pbg h LYS 36 N -0.97 0.06 -0.35 3.56 1.57 -1.73 -2.78 116.57 115.92 1pbg h LYS 36 Ca -0.06 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1pbg h LYS 36 Cb 0.84 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.06 1pbg h LYS 36 CO -0.05 0.42 -0.50 -0.92 -0.57 0.00 0.00 179.45 177.83 1pbg h TYR 37 N -0.30 -1.51 -0.46 -1.35 3.20 -1.41 -1.23 116.97 113.91 1pbg h TYR 37 Ca 0.01 0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1pbg h TYR 37 Cb 0.40 0.71 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 1pbg h TYR 37 CO 0.05 -0.48 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.02 1pbg h LEU 38 N -0.41 0.72 0.00 2.82 3.38 -0.95 -2.96 115.31 117.91 1pbg h LEU 38 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pbg h LEU 38 Cb 0.61 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pbg h LEU 38 CO -0.56 0.79 0.00 1.21 0.09 0.00 0.00 178.44 179.98 1pbg n GLU 39 N -4.22 0.00 -0.03 1.13 2.13 -0.51 -1.47 120.64 117.66 1pbg n GLU 39 Ca 0.02 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1pbg n GLU 39 Cb 0.29 -1.39 0.01 0.00 0.27 0.00 0.00 31.44 30.63 1pbg n GLU 39 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1pbg n ASP 40 N -1.93 1.25 0.00 4.31 5.68 -0.90 -3.53 116.55 121.44 1pbg n ASP 40 Ca 0.00 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 1pbg n ASP 40 Cb 0.00 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1pbg n ASP 40 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1pbg n ASN 41 N 0.04 0.05 -4.07 -1.12 3.02 -1.12 -5.08 115.26 107.00 1pbg n ASN 41 Ca 0.01 -0.19 -0.10 0.00 -0.03 0.00 0.00 54.58 54.27 1pbg n ASN 41 Cb 0.29 0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 39.77 1pbg n ASN 41 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1pbg s TYR 42 N -0.40 0.67 -2.33 3.10 2.02 -0.54 -5.02 117.35 114.84 1pbg s TYR 42 Ca 0.00 -0.98 0.24 0.00 -0.37 0.00 0.00 57.07 55.96 1pbg s TYR 42 Cb 0.00 -0.14 0.95 0.00 -0.40 0.00 0.00 41.96 42.37 1pbg s TYR 42 CO 0.00 -0.80 1.67 0.91 -1.57 0.00 0.00 175.55 175.76 1pbg n TRP 43 N -0.30 0.10 -4.28 2.71 7.02 -1.26 -4.76 117.44 116.66 1pbg n TRP 43 Ca -0.01 -0.05 -0.15 0.00 -1.02 0.00 0.00 57.50 56.26 1pbg n TRP 43 Cb 0.64 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.42 1pbg n TRP 43 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 1pbg s TYR 44 N -1.90 1.37 0.17 -5.99 -0.85 -1.26 -5.16 117.35 103.73 1pbg s TYR 44 Ca 0.35 -0.92 0.03 0.00 -0.52 0.00 0.00 57.07 56.01 1pbg s TYR 44 Cb 0.19 -0.77 -0.01 0.00 0.38 0.00 0.00 41.96 41.75 1pbg s TYR 44 CO 0.29 -0.07 0.17 0.25 -1.52 0.00 0.00 175.55 174.67 1pbg n THR 45 N -0.31 0.00 0.14 -3.49 -2.24 -1.26 -4.58 114.28 102.54 1pbg n THR 45 Ca -0.07 -1.11 0.04 0.00 -2.27 0.00 0.00 64.05 60.64 1pbg n THR 45 Cb 0.63 0.58 0.20 0.00 -2.10 0.00 0.00 70.33 69.64 1pbg n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pbg n ALA 46 N -1.87 3.11 -3.78 6.98 0.00 -1.26 -4.66 120.51 119.03 1pbg n ALA 46 Ca -0.06 -0.92 -0.31 0.00 0.00 0.00 0.00 53.44 52.15 1pbg n ALA 46 Cb 0.29 -1.05 -0.16 0.00 0.00 0.00 0.00 19.45 18.53 1pbg n ALA 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1pbg s GLU 47 N -1.84 2.62 0.00 0.00 2.56 -1.26 -3.41 118.70 117.37 1pbg s GLU 47 Ca 0.27 -0.70 0.28 0.00 0.00 0.00 0.00 54.97 54.82 1pbg s GLU 47 Cb 0.20 -2.21 1.03 0.00 2.00 0.00 0.00 34.13 35.15 1pbg s GLU 47 CO 0.09 -0.09 1.73 -0.35 -0.56 0.00 0.00 175.26 176.07 1pbg n PRO 48 N 4.30 1.17 0.00 4.30 -0.04 -1.26 -5.11 135.00 138.37 1pbg n PRO 48 Ca -0.19 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1pbg n PRO 48 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1pbg n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pbg n ALA 49 N -0.38 0.00 0.24 0.55 0.00 -1.22 -0.67 120.51 119.03 1pbg n ALA 49 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1pbg n ALA 49 Cb 0.32 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.01 1pbg n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pbg n SER 50 N 3.71 3.50 -4.03 0.00 7.64 -0.77 -4.89 113.62 118.78 1pbg n SER 50 Ca 0.00 -1.99 -0.31 0.00 1.01 0.00 0.00 58.87 57.58 1pbg n SER 50 Cb 0.00 -0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1pbg n SER 50 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pbg n ASP 51 N 1.50 -3.23 0.26 6.43 2.03 0.15 -4.77 116.55 118.91 1pbg n ASP 51 Ca 0.20 -0.91 0.11 0.00 0.52 0.00 0.00 54.79 54.71 1pbg n ASP 51 Cb 0.60 -3.32 0.69 0.00 -0.72 0.00 0.00 41.12 38.38 1pbg n ASP 51 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1pbg h PHE 52 N -1.80 0.00 -0.62 -0.67 3.57 -0.73 0.15 116.94 116.83 1pbg h PHE 52 Ca -0.59 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.03 1pbg h PHE 52 Cb 1.38 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.08 1pbg h PHE 52 CO 0.57 0.12 0.42 -0.92 -2.23 0.00 0.00 178.31 176.28 1pbg h TYR 53 N 0.00 0.32 0.00 0.41 3.20 -1.71 -1.77 116.97 117.42 1pbg h TYR 53 Ca -0.00 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.71 1pbg h TYR 53 Cb 0.29 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1pbg h TYR 53 CO 0.00 0.14 -1.63 0.72 -1.64 0.00 0.00 178.16 175.75 1pbg n HIS 54 N -4.45 0.00 1.70 -3.82 8.25 -0.73 -4.68 115.22 111.50 1pbg n HIS 54 Ca 0.11 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.72 1pbg n HIS 54 Cb 0.48 -0.44 0.80 0.00 1.12 0.00 0.00 29.99 31.95 1pbg n HIS 54 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1pbg n LYS 55 N -2.65 0.88 -0.34 -0.41 4.76 0.45 -4.35 118.16 116.50 1pbg n LYS 55 Ca -0.18 -0.15 0.22 0.00 -2.87 0.00 0.00 58.31 55.33 1pbg n LYS 55 Cb 0.74 -1.50 0.47 0.00 -1.84 0.00 0.00 35.03 32.90 1pbg n LYS 55 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 1pbg h TYR 56 N 0.36 0.80 -0.37 2.13 -0.00 -1.55 0.10 116.97 118.44 1pbg h TYR 56 Ca 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 58.73 58.70 1pbg h TYR 56 Cb 0.19 -0.23 -0.02 0.00 -0.00 0.00 0.00 36.73 36.67 1pbg h TYR 56 CO 0.00 0.02 -0.00 -1.35 -0.00 0.00 0.00 178.16 176.83 1pbg h PRO 57 N 0.43 0.59 -0.28 0.10 0.11 -1.88 0.06 132.00 131.13 1pbg h PRO 57 Ca 0.64 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 66.52 1pbg h PRO 57 Cb 1.49 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.52 1pbg h PRO 57 CO -0.40 0.62 -0.19 0.28 -0.21 0.00 0.00 178.00 178.10 1pbg h VAL 58 N 0.56 1.30 -0.48 3.15 2.07 -1.14 -1.38 116.25 120.33 1pbg h VAL 58 Ca 0.12 -1.32 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 1pbg h VAL 58 Cb 0.36 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1pbg h VAL 58 CO 0.01 0.42 -0.02 0.44 0.02 0.00 0.00 177.57 178.44 1pbg h ASP 59 N 0.36 0.79 1.12 0.57 3.32 -1.03 -1.46 116.42 120.09 1pbg h ASP 59 Ca 0.06 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 1pbg h ASP 59 Cb 0.73 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1pbg h ASP 59 CO 0.05 0.87 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.89 1pbg h LEU 60 N 0.76 0.00 -0.04 1.55 3.38 -0.95 0.11 115.31 120.12 1pbg h LEU 60 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1pbg h LEU 60 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1pbg h LEU 60 CO 0.02 0.48 -0.05 -0.08 0.09 0.00 0.00 178.44 178.91 1pbg h GLU 61 N 0.00 0.10 -0.38 1.13 4.81 -1.00 -2.03 114.58 117.21 1pbg h GLU 61 Ca -0.00 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1pbg h GLU 61 Cb 1.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1pbg h GLU 61 CO 0.06 0.60 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.77 1pbg h LEU 62 N -0.38 0.63 0.02 1.64 3.38 -1.23 -1.62 115.31 117.75 1pbg h LEU 62 Ca 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1pbg h LEU 62 Cb 0.58 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pbg h LEU 62 CO 0.01 0.76 -0.01 0.00 0.09 0.00 0.00 178.44 179.29 1pbg h ALA 63 N 1.30 -0.03 -0.61 1.53 0.00 -0.70 -2.19 119.26 118.56 1pbg h ALA 63 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pbg h ALA 63 Cb 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1pbg h ALA 63 CO 0.03 -0.48 0.37 1.49 0.00 0.00 0.00 179.25 180.66 1pbg h GLU 64 N -0.11 0.83 0.00 0.00 4.81 -1.22 -1.54 114.58 117.35 1pbg h GLU 64 Ca -0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1pbg h GLU 64 Cb 0.10 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1pbg h GLU 64 CO 0.01 0.60 -0.06 0.93 -0.73 0.00 0.00 179.01 179.75 1pbg h GLU 65 N 0.83 0.00 -0.63 1.92 4.39 -1.19 -2.80 114.58 117.10 1pbg h GLU 65 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1pbg h GLU 65 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1pbg h GLU 65 CO -0.04 0.06 0.00 0.66 -1.16 0.00 0.00 179.01 178.53 1pbg n TYR 66 N -4.37 1.16 -0.66 4.33 4.02 -0.83 -4.97 117.16 115.83 1pbg n TYR 66 Ca -0.03 -0.57 0.00 0.00 -0.01 0.00 0.00 57.90 57.29 1pbg n TYR 66 Cb 0.14 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1pbg n TYR 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pbg n GLY 67 N 1.16 0.74 3.68 2.72 0.00 -1.06 -3.51 105.19 108.92 1pbg n GLY 67 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1pbg n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pbg s VAL 68 N -2.54 4.45 -1.37 1.61 1.01 -0.61 -4.79 120.40 118.16 1pbg s VAL 68 Ca 0.00 1.76 0.12 0.00 0.00 0.00 0.00 61.98 63.85 1pbg s VAL 68 Cb 0.00 -4.13 0.14 0.00 0.00 0.00 0.00 36.38 32.39 1pbg s VAL 68 CO 0.00 -0.06 0.95 -0.46 0.00 0.00 0.00 175.10 175.53 1pbg n ASN 69 N 5.63 2.18 -3.80 3.32 0.23 -0.61 -4.28 115.26 117.93 1pbg n ASN 69 Ca 0.11 -1.59 -0.12 0.00 -0.53 0.00 0.00 54.58 52.45 1pbg n ASN 69 Cb 0.46 -0.05 -0.10 0.00 -2.08 0.00 0.00 39.78 38.02 1pbg n ASN 69 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1pbg s GLY 70 N -0.98 -0.10 -0.04 4.83 0.00 -1.24 -1.30 107.32 108.49 1pbg s GLY 70 Ca 0.16 0.28 -0.02 0.00 0.00 0.00 0.00 44.72 45.14 1pbg s GLY 70 CO 0.15 0.13 0.09 -1.50 0.00 0.00 0.00 173.10 171.97 1pbg s ILE 71 N -0.96 -0.04 -0.14 0.90 2.07 -0.38 -2.02 121.20 120.63 1pbg s ILE 71 Ca -0.10 0.13 -0.20 0.00 -1.41 0.00 0.00 60.65 59.07 1pbg s ILE 71 Cb -0.05 -0.16 -0.03 0.00 0.13 0.00 0.00 42.46 42.35 1pbg s ILE 71 CO 0.02 0.05 0.57 -0.13 -1.91 0.00 0.00 174.94 173.55 1pbg s ARG 72 N 0.77 4.30 0.09 3.50 0.52 -0.76 -0.80 118.95 126.57 1pbg s ARG 72 Ca -0.06 0.57 0.05 0.00 -0.52 0.00 0.00 55.73 55.78 1pbg s ARG 72 Cb -0.08 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 1pbg s ARG 72 CO -0.03 -0.02 -0.14 0.42 0.02 0.00 0.00 175.30 175.55 1pbg s ILE 73 N 1.17 1.20 -0.03 1.52 1.01 -0.52 -1.72 121.20 123.83 1pbg s ILE 73 Ca 0.29 -1.47 0.04 0.00 0.00 0.00 0.00 60.65 59.51 1pbg s ILE 73 Cb -0.16 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 1pbg s ILE 73 CO 0.12 -0.30 -0.15 -0.94 0.00 0.00 0.00 174.94 173.66 1pbg s SER 74 N -2.02 1.89 -0.08 3.58 1.04 -1.26 -0.93 113.70 115.92 1pbg s SER 74 Ca 0.02 -0.30 -0.25 0.00 0.48 0.00 0.00 55.95 55.91 1pbg s SER 74 Cb -0.08 -0.37 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 1pbg s SER 74 CO 0.02 0.16 0.77 -0.63 0.98 0.00 0.00 173.24 174.54 1pbg s ILE 75 N -0.14 4.99 -0.39 -1.02 1.01 -0.32 -4.15 121.20 121.18 1pbg s ILE 75 Ca 0.01 1.57 -0.29 0.00 0.00 0.00 0.00 60.65 61.94 1pbg s ILE 75 Cb -0.08 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1pbg s ILE 75 CO 0.01 0.19 1.15 0.00 0.00 0.00 0.00 174.94 176.28 1pbg s ALA 76 N 1.13 3.32 0.40 9.38 0.00 -1.26 -4.53 121.76 130.20 1pbg s ALA 76 Ca 0.40 -0.21 0.14 0.00 0.00 0.00 0.00 51.96 52.29 1pbg s ALA 76 Cb -0.18 -3.79 0.99 0.00 0.00 0.00 0.00 23.12 20.14 1pbg s ALA 76 CO 0.18 -1.88 1.87 2.35 0.00 0.00 0.00 175.76 178.28 1pbg h TRP 77 N 8.85 0.62 0.00 0.00 2.91 -1.81 0.47 115.95 126.99 1pbg h TRP 77 Ca -0.23 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1pbg h TRP 77 Cb 1.07 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1pbg h TRP 77 CO 0.90 0.20 0.00 -1.13 -1.03 0.00 0.00 178.44 177.38 1pbg n SER 78 N -4.52 0.00 -0.02 2.65 3.41 -1.26 -1.79 113.62 112.08 1pbg n SER 78 Ca 0.18 0.14 -0.10 0.00 -0.26 0.00 0.00 58.87 58.83 1pbg n SER 78 Cb 0.59 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 64.04 1pbg n SER 78 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1pbg n ARG 79 N -1.36 0.65 -0.06 4.33 0.63 0.15 -0.02 116.66 120.98 1pbg n ARG 79 Ca 0.09 0.29 -0.05 0.00 -0.92 0.00 0.00 57.85 57.26 1pbg n ARG 79 Cb 0.21 -1.78 -0.03 0.00 0.45 0.00 0.00 32.46 31.32 1pbg n ARG 79 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1pbg h ILE 80 N 0.01 0.27 -3.51 5.15 1.08 -1.48 -3.36 117.51 115.68 1pbg h ILE 80 Ca -0.31 -1.25 -0.69 0.00 -0.39 0.00 0.00 64.86 62.23 1pbg h ILE 80 Cb 2.02 0.56 -0.36 0.00 -3.07 0.00 0.00 36.82 35.98 1pbg h ILE 80 CO 0.08 0.09 -0.53 -0.36 -0.69 0.00 0.00 178.15 176.75 1pbg s PHE 81 N -1.92 3.54 0.52 1.37 0.08 -0.74 0.37 117.98 121.20 1pbg s PHE 81 Ca -0.09 -2.61 0.25 0.00 0.12 0.00 0.00 56.93 54.59 1pbg s PHE 81 Cb 0.01 -3.16 1.38 0.00 -0.57 0.00 0.00 43.02 40.68 1pbg s PHE 81 CO 0.20 -0.92 1.98 -1.35 -0.10 0.00 0.00 175.22 175.03 1pbg h PRO 82 N 7.63 0.03 -0.43 0.24 0.11 -1.74 -0.85 132.00 136.99 1pbg h PRO 82 Ca -0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1pbg h PRO 82 Cb 1.01 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1pbg h PRO 82 CO 0.68 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.74 1pbg n THR 83 N -4.37 0.68 0.00 -1.15 -2.24 -1.26 -4.37 114.28 101.57 1pbg n THR 83 Ca 0.11 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1pbg n THR 83 Cb 0.64 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1pbg n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pbg n GLY 84 N 1.23 2.93 3.80 3.38 0.00 -0.32 -4.59 105.19 111.61 1pbg n GLY 84 Ca 0.18 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1pbg n GLY 84 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pbg s TYR 85 N -1.53 0.01 0.00 1.61 1.13 -1.26 -4.86 117.35 112.44 1pbg s TYR 85 Ca 0.00 -0.50 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 1pbg s TYR 85 Cb 0.00 0.64 0.00 0.00 -1.10 0.00 0.00 41.96 41.50 1pbg s TYR 85 CO 0.00 -1.28 0.00 0.41 -2.51 0.00 0.00 175.55 172.17 1pbg n GLY 86 N -0.47 1.29 3.69 5.49 0.00 -1.26 -4.86 105.19 109.06 1pbg n GLY 86 Ca -0.05 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1pbg n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pbg s GLU 87 N 0.00 4.24 0.05 1.61 2.56 -1.26 -5.00 118.70 120.90 1pbg s GLU 87 Ca 0.00 2.16 -0.23 0.00 0.00 0.00 0.00 54.97 56.90 1pbg s GLU 87 Cb 0.00 -3.57 -0.06 0.00 2.00 0.00 0.00 34.13 32.50 1pbg s GLU 87 CO 0.00 -0.66 0.69 0.08 -0.56 0.00 0.00 175.26 174.82 1pbg s VAL 88 N 2.48 4.74 -0.62 3.70 1.01 -1.26 -4.30 120.40 126.15 1pbg s VAL 88 Ca 0.69 1.48 -0.17 0.00 0.00 0.00 0.00 61.98 63.98 1pbg s VAL 88 Cb -0.36 -4.04 0.14 0.00 0.00 0.00 0.00 36.38 32.12 1pbg s VAL 88 CO 0.30 0.42 0.63 0.21 0.00 0.00 0.00 175.10 176.66 1pbg s ASN 89 N -0.36 6.30 0.49 3.32 2.47 0.16 -4.96 114.94 122.36 1pbg s ASN 89 Ca 0.35 -1.85 0.23 0.00 0.42 0.00 0.00 52.86 52.01 1pbg s ASN 89 Cb -0.20 -2.25 1.27 0.00 -1.45 0.00 0.00 41.25 38.62 1pbg s ASN 89 CO 0.21 -0.90 1.93 -0.33 -3.72 0.00 0.00 177.10 174.29 1pbg h GLU 90 N 8.79 0.18 -0.10 0.43 5.08 -1.89 -0.72 114.58 126.35 1pbg h GLU 90 Ca -0.21 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1pbg h GLU 90 Cb 1.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1pbg h GLU 90 CO 1.01 0.12 -0.42 0.87 -1.00 0.00 0.00 179.01 179.59 1pbg h LYS 91 N 0.18 0.21 -0.25 2.33 1.79 -1.90 0.33 116.57 119.26 1pbg h LYS 91 Ca 0.36 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.64 1pbg h LYS 91 Cb 1.15 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 1pbg h LYS 91 CO -0.06 0.60 -0.17 0.78 -1.08 0.00 0.00 179.45 179.52 1pbg h GLY 92 N 1.24 0.61 1.00 3.86 0.00 -1.28 -1.70 103.07 106.80 1pbg h GLY 92 Ca 0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1pbg h GLY 92 CO 0.06 0.53 0.17 -2.08 0.00 0.00 0.00 176.54 175.23 1pbg h VAL 93 N 0.28 1.24 -0.22 4.60 2.07 -1.20 -2.88 116.25 120.14 1pbg h VAL 93 Ca 0.05 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1pbg h VAL 93 Cb 0.70 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1pbg h VAL 93 CO 0.05 0.31 0.06 -0.33 0.02 0.00 0.00 177.57 177.68 1pbg h GLU 94 N 0.83 0.15 -0.33 1.57 5.08 -0.86 -2.70 114.58 118.32 1pbg h GLU 94 Ca 0.19 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 1pbg h GLU 94 Cb 0.30 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 1pbg h GLU 94 CO -0.00 0.10 -0.37 0.35 -1.00 0.00 0.00 179.01 178.08 1pbg h PHE 95 N 0.16 -1.06 -0.15 4.33 3.57 -1.09 -0.83 116.94 121.86 1pbg h PHE 95 Ca 0.10 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1pbg h PHE 95 Cb 0.08 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1pbg h PHE 95 CO -0.13 -0.42 -0.03 1.88 -2.23 0.00 0.00 178.31 177.38 1pbg h TYR 96 N -0.33 0.22 -0.61 0.41 0.05 -1.39 0.80 116.97 116.11 1pbg h TYR 96 Ca 0.14 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.85 1pbg h TYR 96 Cb 0.57 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1pbg h TYR 96 CO -0.55 0.26 0.17 0.45 -1.05 0.00 0.00 178.16 177.44 1pbg h HIS 97 N 0.22 1.01 -0.58 4.88 3.86 -0.91 0.92 115.15 124.55 1pbg h HIS 97 Ca 0.05 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 1pbg h HIS 97 Cb 0.20 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1pbg h HIS 97 CO 0.00 0.85 0.05 0.87 0.86 0.00 0.00 177.93 180.55 1pbg h LYS 98 N 0.89 1.00 -0.22 2.45 1.57 0.29 -0.86 116.57 121.69 1pbg h LYS 98 Ca 0.20 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1pbg h LYS 98 Cb 0.33 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1pbg h LYS 98 CO -0.00 0.97 0.06 1.25 -0.57 0.00 0.00 179.45 181.16 1pbg h LEU 99 N 0.90 0.33 -1.23 2.94 5.85 -0.65 -1.71 115.31 121.74 1pbg h LEU 99 Ca 0.17 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1pbg h LEU 99 Cb 0.49 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1pbg h LEU 99 CO 0.02 0.47 -0.23 -0.26 -0.34 0.00 0.00 178.44 178.10 1pbg h PHE 100 N 0.18 0.25 -0.60 1.25 0.04 -0.67 -2.44 116.94 114.95 1pbg h PHE 100 Ca 0.07 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 1pbg h PHE 100 Cb 0.27 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1pbg h PHE 100 CO 0.01 0.46 -0.03 0.00 -0.60 0.00 0.00 178.31 178.15 1pbg h ALA 101 N 1.55 0.82 -0.67 2.45 0.00 -0.87 -2.24 119.26 120.30 1pbg h ALA 101 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1pbg h ALA 101 Cb 0.54 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1pbg h ALA 101 CO 0.04 0.68 0.10 0.93 0.00 0.00 0.00 179.25 180.99 1pbg h GLU 102 N 0.97 1.12 0.20 0.00 4.39 -0.94 -1.29 114.58 119.03 1pbg h GLU 102 Ca 0.17 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1pbg h GLU 102 Cb 0.59 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1pbg h GLU 102 CO 0.04 1.03 -0.10 0.00 -1.16 0.00 0.00 179.01 178.82 1pbg h HIS 104 N -0.33 0.87 -0.37 0.00 3.86 -1.37 0.42 115.15 118.23 1pbg h HIS 104 Ca -0.03 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1pbg h HIS 104 Cb 0.25 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1pbg h HIS 104 CO -0.05 0.64 0.02 -0.22 0.86 0.00 0.00 177.93 179.18 1pbg h LYS 105 N 0.89 0.58 -0.01 2.45 3.64 -0.84 -2.23 116.57 121.05 1pbg h LYS 105 Ca 0.22 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1pbg h LYS 105 Cb 0.08 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1pbg h LYS 105 CO -0.03 0.59 -0.12 0.54 -2.27 0.00 0.00 179.45 178.16 1pbg n ARG 106 N -4.28 1.30 -1.32 1.90 5.12 0.09 -4.94 116.66 114.54 1pbg n ARG 106 Ca 0.02 -0.78 -0.09 0.00 -1.93 0.00 0.00 57.85 55.07 1pbg n ARG 106 Cb 0.24 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 1pbg n ARG 106 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1pbg n HIS 107 N -0.17 -0.03 -3.39 -1.55 8.25 -0.16 -4.67 115.22 113.49 1pbg n HIS 107 Ca 0.16 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.17 1pbg n HIS 107 Cb 0.36 -1.78 -0.07 0.00 1.12 0.00 0.00 29.99 29.62 1pbg n HIS 107 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pbg s VAL 108 N -2.33 5.00 0.02 1.59 1.01 -0.04 -4.75 120.40 120.90 1pbg s VAL 108 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 1pbg s VAL 108 Cb 0.00 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1pbg s VAL 108 CO 0.00 -0.73 1.89 -0.70 0.00 0.00 0.00 175.10 175.56 1pbg s GLU 109 N 1.57 4.15 -0.03 2.72 2.56 -0.42 -4.15 118.70 125.10 1pbg s GLU 109 Ca 0.04 2.51 -0.28 0.00 0.00 0.00 0.00 54.97 57.24 1pbg s GLU 109 Cb -0.27 -4.11 -0.03 0.00 2.00 0.00 0.00 34.13 31.73 1pbg s GLU 109 CO 0.04 -0.93 0.92 -1.25 -0.56 0.00 0.00 175.26 173.48 1pbg s PRO 110 N 4.31 4.51 -0.34 4.30 0.04 -1.26 -1.25 135.00 145.31 1pbg s PRO 110 Ca 0.85 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 1pbg s PRO 110 Cb -0.41 -3.47 0.04 0.00 0.04 0.00 0.00 34.50 30.71 1pbg s PRO 110 CO 0.39 -0.07 0.10 -0.06 0.04 0.00 0.00 177.00 177.40 1pbg s PHE 111 N 1.14 3.27 -0.18 0.56 0.40 0.02 -4.24 117.98 118.95 1pbg s PHE 111 Ca 0.48 -1.48 -0.07 0.00 -0.60 0.00 0.00 56.93 55.25 1pbg s PHE 111 Cb -0.20 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 40.98 1pbg s PHE 111 CO 0.24 -0.74 0.07 0.08 0.70 0.00 0.00 175.22 175.57 1pbg s VAL 112 N 1.39 4.86 -0.13 -0.44 1.01 -0.23 -1.44 120.40 125.41 1pbg s VAL 112 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1pbg s VAL 112 Cb -0.20 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1pbg s VAL 112 CO 0.02 0.47 0.04 -0.89 0.00 0.00 0.00 175.10 174.75 1pbg s THR 113 N 0.26 4.66 0.05 3.92 2.01 -0.11 -0.56 115.64 125.86 1pbg s THR 113 Ca 0.04 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.99 1pbg s THR 113 Cb -0.12 -3.02 -0.24 0.00 0.01 0.00 0.00 72.50 69.13 1pbg s THR 113 CO 0.00 0.56 1.01 -0.07 -0.69 0.00 0.00 174.62 175.43 1pbg h LEU 114 N 5.71 0.13 -7.66 4.42 3.38 -1.17 -0.83 115.31 119.29 1pbg h LEU 114 Ca -0.46 -0.17 -0.47 0.00 0.09 0.00 0.00 57.88 56.88 1pbg h LEU 114 Cb 1.19 -0.04 -0.36 0.00 0.09 0.00 0.00 40.66 41.54 1pbg h LEU 114 CO 0.61 1.14 -0.78 -2.28 0.09 0.00 0.00 178.44 177.21 1pbg s HIS 115 N -2.65 1.02 -0.47 1.13 5.04 -0.66 -4.37 115.29 114.32 1pbg s HIS 115 Ca -0.03 -0.39 0.07 0.00 -1.54 0.00 0.00 55.06 53.16 1pbg s HIS 115 Cb 0.08 -0.93 0.23 0.00 0.04 0.00 0.00 32.58 32.01 1pbg s HIS 115 CO 0.83 -0.35 0.54 1.58 -2.34 0.00 0.00 174.74 175.01 1pbg n HIS 116 N 4.70 0.75 -2.39 3.88 -0.00 -1.26 -2.55 115.22 118.35 1pbg n HIS 116 Ca -0.14 -3.71 -0.20 0.00 0.46 0.00 0.00 57.72 54.12 1pbg n HIS 116 Cb 0.50 -0.32 -0.01 0.00 -0.12 0.00 0.00 29.99 30.04 1pbg n HIS 116 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1pbg n PHE 117 N 1.54 -0.96 -3.15 1.57 3.01 -1.26 -4.85 117.46 113.36 1pbg n PHE 117 Ca 0.24 0.01 -0.19 0.00 1.01 0.00 0.00 57.45 58.52 1pbg n PHE 117 Cb 0.48 -3.85 -0.03 0.00 -0.01 0.00 0.00 39.48 36.07 1pbg n PHE 117 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1pbg n ASP 118 N -1.82 1.38 -4.74 4.37 5.75 -1.26 -4.97 116.55 115.25 1pbg n ASP 118 Ca -0.24 -3.11 -0.41 0.00 -0.01 0.00 0.00 54.79 51.02 1pbg n ASP 118 Cb 0.68 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1pbg n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1pbg s THR 119 N -2.74 2.83 0.25 2.12 2.01 -1.26 -4.59 115.64 114.26 1pbg s THR 119 Ca 0.41 0.69 -0.30 0.00 0.31 0.00 0.00 61.69 62.80 1pbg s THR 119 Cb 0.34 -3.44 -0.14 0.00 0.01 0.00 0.00 72.50 69.26 1pbg s THR 119 CO -0.09 0.11 1.12 -2.65 -0.69 0.00 0.00 174.62 172.42 1pbg n PRO 120 N 2.45 1.40 -0.26 4.92 -0.02 -1.26 -4.31 135.00 137.92 1pbg n PRO 120 Ca 0.07 0.49 0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1pbg n PRO 120 Cb 0.41 -1.95 0.20 0.00 -0.02 0.00 0.00 33.50 32.15 1pbg n PRO 120 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1pbg h GLU 121 N 2.73 0.41 -0.79 -0.52 4.81 -0.64 0.36 114.58 120.94 1pbg h GLU 121 Ca -0.42 -0.02 0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1pbg h GLU 121 Cb 1.33 -0.09 -0.12 0.00 0.63 0.00 0.00 28.75 30.50 1pbg h GLU 121 CO 0.66 0.27 0.25 0.00 -0.73 0.00 0.00 179.01 179.45 1pbg h ALA 122 N 1.58 1.11 0.00 2.92 0.00 -1.86 0.22 119.26 123.23 1pbg h ALA 122 Ca 0.44 0.17 -0.25 0.00 0.00 0.00 0.00 54.91 55.27 1pbg h ALA 122 Cb 0.70 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1pbg h ALA 122 CO -0.44 -0.33 -1.33 -0.07 0.00 0.00 0.00 179.25 177.08 1pbg h LEU 123 N 0.32 0.00 -0.31 0.00 3.38 -1.44 -3.27 115.31 113.99 1pbg h LEU 123 Ca 0.46 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.37 1pbg h LEU 123 Cb 0.82 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1pbg h LEU 123 CO -0.52 1.00 -0.04 -0.74 0.09 0.00 0.00 178.44 178.23 1pbg h HIS 124 N 0.00 0.64 -0.13 1.13 2.76 0.30 -2.44 115.15 117.41 1pbg h HIS 124 Ca -0.14 -0.13 0.02 0.00 -2.20 0.00 0.00 60.37 57.92 1pbg h HIS 124 Cb 1.88 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.68 1pbg h HIS 124 CO 0.00 0.74 0.09 0.77 -1.30 0.00 0.00 177.93 178.23 1pbg h SER 125 N 0.36 0.09 -0.60 3.26 0.02 -0.76 -2.46 113.55 113.46 1pbg h SER 125 Ca 0.08 -0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.66 1pbg h SER 125 Cb 0.51 -0.02 -0.15 0.00 0.14 0.00 0.00 62.40 62.88 1pbg h SER 125 CO 0.02 0.06 0.42 -3.20 -1.14 0.00 0.00 176.83 172.99 1pbg n ASN 126 N -4.51 6.50 0.00 3.07 5.15 -0.99 -4.79 115.26 119.69 1pbg n ASN 126 Ca -0.01 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 1pbg n ASN 126 Cb 0.14 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 1pbg n ASN 126 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pbg n GLY 127 N 0.44 1.12 7.00 8.20 0.00 -1.05 -4.61 105.19 116.28 1pbg n GLY 127 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1pbg n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pbg n ASP 128 N 0.00 0.00 -0.03 1.61 2.03 -0.95 -1.02 116.55 118.19 1pbg n ASP 128 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 1pbg n ASP 128 Cb 0.00 0.00 0.62 0.00 -0.72 0.00 0.00 41.12 41.02 1pbg n ASP 128 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1pbg n PHE 129 N 14.00 0.01 0.18 -0.67 3.01 -1.26 -2.66 117.46 130.07 1pbg n PHE 129 Ca 0.00 -0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1pbg n PHE 129 Cb 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 39.63 1pbg n PHE 129 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1pbg h LEU 130 N 0.14 0.00 -8.86 4.37 3.38 -1.44 -3.42 115.31 109.47 1pbg h LEU 130 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1pbg h LEU 130 Cb 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.66 1pbg h LEU 130 CO 0.00 0.29 0.25 0.21 0.09 0.00 0.00 178.44 179.27 1pbg s ASN 131 N -6.31 6.54 0.60 -0.43 3.84 -1.09 -4.95 114.94 113.13 1pbg s ASN 131 Ca 0.04 0.43 0.36 0.00 0.21 0.00 0.00 52.86 53.90 1pbg s ASN 131 Cb 0.07 -2.36 1.94 0.00 -0.55 0.00 0.00 41.25 40.35 1pbg s ASN 131 CO 0.70 -0.57 2.23 0.03 -2.79 0.00 0.00 177.10 176.70 1pbg h ARG 132 N 8.26 0.00 -0.40 0.43 3.08 -1.86 -1.78 114.38 122.10 1pbg h ARG 132 Ca -0.26 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 1pbg h ARG 132 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1pbg h ARG 132 CO 0.85 0.03 0.03 1.49 -1.07 0.00 0.00 179.97 181.29 1pbg h GLU 133 N 0.00 0.62 0.00 0.04 4.81 -1.92 -2.07 114.58 116.06 1pbg h GLU 133 Ca -0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1pbg h GLU 133 Cb 0.14 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1pbg h GLU 133 CO 0.00 0.62 0.00 0.09 -0.73 0.00 0.00 179.01 179.00 1pbg n ASN 134 N -4.27 0.42 0.10 1.04 3.02 -0.67 -1.88 115.26 113.02 1pbg n ASN 134 Ca 0.02 0.59 -0.05 0.00 -0.03 0.00 0.00 54.58 55.11 1pbg n ASN 134 Cb 0.25 -0.68 0.10 0.00 -0.61 0.00 0.00 39.78 38.83 1pbg n ASN 134 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1pbg h ILE 135 N 0.00 1.43 -0.05 2.41 2.04 -1.48 -2.61 117.51 119.25 1pbg h ILE 135 Ca 0.00 -2.17 -0.08 0.00 1.00 0.00 0.00 64.86 63.60 1pbg h ILE 135 Cb 0.39 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1pbg h ILE 135 CO 0.00 0.63 -0.29 -0.33 0.00 0.00 0.00 178.15 178.17 1pbg h GLU 136 N 0.12 0.28 -0.94 2.37 4.39 -1.46 -2.63 114.58 116.71 1pbg h GLU 136 Ca -0.01 -0.24 0.06 0.00 0.34 0.00 0.00 59.36 59.50 1pbg h GLU 136 Cb 1.20 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.84 1pbg h GLU 136 CO 0.10 0.89 0.61 0.45 -1.16 0.00 0.00 179.01 179.90 1pbg h HIS 137 N -0.25 1.11 -0.07 4.33 3.86 -1.52 -0.14 115.15 122.47 1pbg h HIS 137 Ca -0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pbg h HIS 137 Cb 0.96 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 1pbg h HIS 137 CO 0.14 0.59 0.03 0.35 0.86 0.00 0.00 177.93 179.91 1pbg h PHE 138 N 1.10 0.11 -0.35 2.45 3.57 -1.44 -0.54 116.94 121.84 1pbg h PHE 138 Ca 0.40 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.91 1pbg h PHE 138 Cb 0.14 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1pbg h PHE 138 CO -0.00 0.20 0.23 0.82 -2.23 0.00 0.00 178.31 177.33 1pbg h ILE 139 N -0.02 1.05 -0.21 1.41 2.04 -0.97 0.30 117.51 121.11 1pbg h ILE 139 Ca 0.02 -0.14 -0.18 0.00 1.00 0.00 0.00 64.86 65.56 1pbg h ILE 139 Cb 0.14 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1pbg h ILE 139 CO -0.00 0.07 -0.60 0.44 0.00 0.00 0.00 178.15 178.06 1pbg h ASP 140 N 0.40 0.79 0.01 1.72 3.32 -0.70 -1.67 116.42 120.30 1pbg h ASP 140 Ca 0.14 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 1pbg h ASP 140 Cb 0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1pbg h ASP 140 CO -0.03 1.21 -0.00 0.22 -1.72 0.00 0.00 179.24 178.91 1pbg h TYR 141 N 0.52 -0.01 -0.38 4.55 3.20 0.25 -1.99 116.97 123.12 1pbg h TYR 141 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1pbg h TYR 141 Cb 1.18 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 1pbg h TYR 141 CO 0.06 0.26 0.09 0.00 -1.64 0.00 0.00 178.16 176.93 1pbg h ALA 142 N 0.71 0.41 -0.84 1.82 0.00 -0.44 -1.57 119.26 119.34 1pbg h ALA 142 Ca -0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1pbg h ALA 142 Cb 0.28 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1pbg h ALA 142 CO 0.00 -0.31 0.52 0.00 0.00 0.00 0.00 179.25 179.46 1pbg h ALA 143 N 1.28 1.15 -0.06 0.00 0.00 -1.26 -0.56 119.26 119.80 1pbg h ALA 143 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pbg h ALA 143 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pbg h ALA 143 CO -0.22 0.28 0.03 0.35 0.00 0.00 0.00 179.25 179.68 1pbg h PHE 144 N 0.96 0.09 -0.92 0.00 3.04 -0.59 -2.78 116.94 116.74 1pbg h PHE 144 Ca 0.36 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.30 1pbg h PHE 144 Cb 0.15 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.59 1pbg h PHE 144 CO -0.03 0.17 0.53 0.00 -2.02 0.00 0.00 178.31 176.96 1pbg h PHE 146 N 1.27 1.02 0.10 0.00 0.04 -0.99 0.69 116.94 119.07 1pbg h PHE 146 Ca 0.33 0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.87 1pbg h PHE 146 Cb -0.01 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 37.79 1pbg h PHE 146 CO 0.01 0.57 -1.27 1.49 -0.60 0.00 0.00 178.31 178.51 1pbg h GLU 147 N 1.04 0.22 0.00 1.51 4.81 -1.16 -3.35 114.58 117.64 1pbg h GLU 147 Ca 0.35 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1pbg h GLU 147 Cb 0.09 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1pbg h GLU 147 CO -0.11 1.18 -0.14 1.49 -0.73 0.00 0.00 179.01 180.69 1pbg h GLU 148 N -0.40 0.00 -2.57 1.92 4.57 -0.25 -3.37 114.58 114.49 1pbg h GLU 148 Ca -0.28 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.30 1pbg h GLU 148 Cb 1.67 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.85 1pbg h GLU 148 CO 0.04 0.14 -0.62 1.19 -1.18 0.00 0.00 179.01 178.58 1pbg n PHE 149 N -3.53 3.11 0.44 0.92 3.72 0.22 -4.89 117.46 117.44 1pbg n PHE 149 Ca -0.01 -4.16 0.11 0.00 -0.05 0.00 0.00 57.45 53.33 1pbg n PHE 149 Cb 0.29 -0.54 0.45 0.00 -0.94 0.00 0.00 39.48 38.74 1pbg n PHE 149 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1pbg n PRO 150 N 1.42 0.15 0.14 -1.08 -0.04 -1.26 -2.85 135.00 131.49 1pbg n PRO 150 Ca 0.25 0.37 0.01 0.00 -0.04 0.00 0.00 63.50 64.09 1pbg n PRO 150 Cb 0.39 -1.78 0.31 0.00 -0.04 0.00 0.00 33.50 32.38 1pbg n PRO 150 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pbg h GLU 151 N 0.00 0.12 -6.37 0.54 3.07 -1.95 -3.43 114.58 106.56 1pbg h GLU 151 Ca 0.00 -0.05 -0.55 0.00 -0.50 0.00 0.00 59.36 58.27 1pbg h GLU 151 Cb 0.35 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 1pbg h GLU 151 CO 0.00 0.47 0.63 0.08 -1.40 0.00 0.00 179.01 178.80 1pbg s VAL 152 N -4.23 4.23 -0.66 3.13 1.01 -1.13 -4.92 120.40 117.84 1pbg s VAL 152 Ca -0.04 1.58 0.11 0.00 0.00 0.00 0.00 61.98 63.63 1pbg s VAL 152 Cb 0.14 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1pbg s VAL 152 CO 0.75 0.05 0.52 0.59 0.00 0.00 0.00 175.10 177.01 1pbg n ASN 153 N 4.72 0.72 -3.78 3.32 3.02 -1.26 -4.80 115.26 117.20 1pbg n ASN 153 Ca 0.10 -0.86 -0.28 0.00 -0.03 0.00 0.00 54.58 53.52 1pbg n ASN 153 Cb 0.47 0.87 -0.16 0.00 -0.61 0.00 0.00 39.78 40.34 1pbg n ASN 153 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1pbg s TYR 154 N -1.92 1.21 0.25 3.10 2.02 -1.26 -0.70 117.35 120.05 1pbg s TYR 154 Ca 0.06 -0.91 0.09 0.00 -0.37 0.00 0.00 57.07 55.93 1pbg s TYR 154 Cb 0.09 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 1pbg s TYR 154 CO 0.42 -0.60 0.04 -1.58 -1.57 0.00 0.00 175.55 172.25 1pbg s TRP 155 N 1.79 2.80 -0.11 2.71 0.52 0.23 -1.07 118.94 125.81 1pbg s TRP 155 Ca -0.01 -0.18 -0.09 0.00 0.02 0.00 0.00 56.10 55.84 1pbg s TRP 155 Cb -0.17 -1.27 0.04 0.00 -1.15 0.00 0.00 33.47 30.92 1pbg s TRP 155 CO -0.07 0.58 0.29 0.99 0.02 0.00 0.00 176.95 178.75 1pbg s THR 156 N -2.18 -0.01 -0.01 2.01 2.01 0.27 -2.05 115.64 115.68 1pbg s THR 156 Ca 0.31 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 1pbg s THR 156 Cb -0.07 -0.42 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 1pbg s THR 156 CO 0.21 0.02 0.10 0.71 -0.69 0.00 0.00 174.62 174.96 1pbg h THR 157 N 5.09 0.00 -2.18 -0.82 1.35 -1.81 -1.72 112.91 112.82 1pbg h THR 157 Ca -0.31 -0.16 -0.60 0.00 -0.55 0.00 0.00 66.41 64.79 1pbg h THR 157 Cb 1.18 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 67.47 1pbg h THR 157 CO 0.34 0.00 -0.73 -0.36 -0.25 0.00 0.00 175.52 174.52 1pbg s PHE 158 N -1.31 2.39 -0.10 4.73 0.08 -1.26 -1.65 117.98 120.86 1pbg s PHE 158 Ca -0.00 -0.32 0.04 0.00 0.12 0.00 0.00 56.93 56.76 1pbg s PHE 158 Cb 0.00 -1.07 -0.00 0.00 -0.57 0.00 0.00 43.02 41.38 1pbg s PHE 158 CO 0.01 0.68 -0.23 1.21 -0.10 0.00 0.00 175.22 176.80 1pbg s ASN 159 N -3.56 3.19 -0.62 1.36 2.47 -1.06 -2.62 114.94 114.11 1pbg s ASN 159 Ca 0.31 -0.53 -0.20 0.00 0.42 0.00 0.00 52.86 52.85 1pbg s ASN 159 Cb -0.05 -1.41 0.03 0.00 -1.45 0.00 0.00 41.25 38.37 1pbg s ASN 159 CO 0.16 0.16 0.64 -0.62 -3.72 0.00 0.00 177.10 173.73 1pbg n GLU 160 N 3.50 -1.78 -0.07 0.43 1.02 -1.01 -4.70 120.64 118.03 1pbg n GLU 160 Ca -0.19 1.21 -0.15 0.00 -0.02 0.00 0.00 57.16 58.01 1pbg n GLU 160 Cb 0.53 -2.55 -0.05 0.00 -0.02 0.00 0.00 31.44 29.35 1pbg n GLU 160 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1pbg h ILE 161 N 1.05 1.29 0.52 -3.67 2.04 -1.90 -3.01 117.51 113.83 1pbg h ILE 161 Ca -0.53 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 63.59 1pbg h ILE 161 Cb 1.36 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1pbg h ILE 161 CO 0.29 0.55 -0.36 1.23 0.00 0.00 0.00 178.15 179.86 1pbg h GLY 162 N 0.55 -0.93 1.40 5.37 0.00 -1.89 -2.09 103.07 105.48 1pbg h GLY 162 Ca 0.01 0.40 0.07 0.00 0.00 0.00 0.00 47.33 47.80 1pbg h GLY 162 CO 0.12 -0.33 0.24 -2.55 0.00 0.00 0.00 176.54 174.01 1pbg h PRO 163 N -0.85 0.00 0.10 4.80 0.11 -1.91 -1.48 132.00 132.77 1pbg h PRO 163 Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1pbg h PRO 163 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1pbg h PRO 163 CO 0.04 0.00 -0.05 0.82 -0.21 0.00 0.00 178.00 178.60 1pbg h ILE 164 N 0.00 1.13 -0.94 4.15 2.04 -1.29 -0.66 117.51 121.94 1pbg h ILE 164 Ca 0.11 -1.15 0.05 0.00 1.00 0.00 0.00 64.86 64.87 1pbg h ILE 164 Cb 0.58 1.83 -0.06 0.00 -0.74 0.00 0.00 36.82 38.42 1pbg h ILE 164 CO -0.00 0.27 0.60 1.23 0.00 0.00 0.00 178.15 180.25 1pbg h GLY 165 N -0.69 1.39 0.88 5.37 0.00 -0.95 -0.60 103.07 108.48 1pbg h GLY 165 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1pbg h GLY 165 CO 0.02 0.36 0.08 -1.80 0.00 0.00 0.00 176.54 175.19 1pbg h ASP 166 N 1.14 0.30 -0.31 0.19 3.58 -1.30 -0.97 116.42 119.05 1pbg h ASP 166 Ca 0.39 -0.18 -0.13 0.00 0.42 0.00 0.00 57.03 57.52 1pbg h ASP 166 Cb 0.08 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1pbg h ASP 166 CO -0.14 0.40 -0.32 1.23 -2.88 0.00 0.00 179.24 177.52 1pbg h GLY 167 N 0.18 0.83 1.50 -0.78 0.00 -0.73 -0.16 103.07 103.91 1pbg h GLY 167 Ca 0.07 -0.86 -0.27 0.00 0.00 0.00 0.00 47.33 46.28 1pbg h GLY 167 CO -0.00 0.77 -1.15 1.46 0.00 0.00 0.00 176.54 177.62 1pbg h GLN 168 N 0.52 0.41 0.00 4.80 4.20 -1.15 -0.76 115.11 123.14 1pbg h GLN 168 Ca 0.05 -0.56 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 1pbg h GLN 168 Cb 0.90 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 1pbg h GLN 168 CO 0.08 1.22 -1.16 0.66 -0.67 0.00 0.00 178.83 178.96 1pbg n TYR 169 N -3.67 0.00 -0.11 2.96 4.01 -0.37 -1.51 117.16 118.46 1pbg n TYR 169 Ca -0.09 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.45 1pbg n TYR 169 Cb 0.95 -0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 39.83 1pbg n TYR 169 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1pbg n LEU 170 N -1.66 1.94 0.09 7.72 7.94 -0.71 -1.17 117.00 131.14 1pbg n LEU 170 Ca -0.01 0.33 0.06 0.00 -1.11 0.00 0.00 56.01 55.29 1pbg n LEU 170 Cb 0.13 -0.77 -0.02 0.00 0.53 0.00 0.00 43.42 43.29 1pbg n LEU 170 CO 0.07 0.16 -0.00 0.58 -1.11 0.00 0.00 177.39 177.09 1pbg h VAL 171 N -0.99 0.25 -1.42 1.96 2.07 -1.27 0.11 116.25 116.97 1pbg h VAL 171 Ca -0.36 -1.47 -0.32 0.00 0.82 0.00 0.00 66.70 65.37 1pbg h VAL 171 Cb 1.31 1.81 -0.08 0.00 -1.52 0.00 0.00 31.29 32.81 1pbg h VAL 171 CO -0.22 0.14 -0.35 0.61 0.02 0.00 0.00 177.57 177.78 1pbg n GLY 172 N 1.26 0.79 0.12 2.17 0.00 -0.98 -4.80 105.19 103.74 1pbg n GLY 172 Ca -0.03 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 1pbg n GLY 172 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pbg h LYS 173 N 0.00 0.32 -5.95 1.61 2.10 -1.47 -3.39 116.57 109.80 1pbg h LYS 173 Ca -0.35 -0.52 -0.63 0.00 -2.00 0.00 0.00 60.65 57.15 1pbg h LYS 173 Cb 1.15 0.19 -0.06 0.00 -0.90 0.00 0.00 32.23 32.61 1pbg h LYS 173 CO 0.47 1.24 -0.52 -0.06 -2.00 0.00 0.00 179.45 178.57 1pbg s PHE 174 N -2.72 3.45 0.47 0.07 0.08 -0.59 -4.85 117.98 113.89 1pbg s PHE 174 Ca -0.05 0.24 -0.23 0.00 0.12 0.00 0.00 56.93 57.01 1pbg s PHE 174 Cb 0.07 -1.75 -0.09 0.00 -0.57 0.00 0.00 43.02 40.68 1pbg s PHE 174 CO 0.89 0.59 1.05 -2.30 -0.10 0.00 0.00 175.22 175.34 1pbg n PRO 175 N 0.52 1.35 0.00 0.24 -0.02 -1.26 -0.70 135.00 135.13 1pbg n PRO 175 Ca -0.07 0.49 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 1pbg n PRO 175 Cb 0.52 -2.14 0.25 0.00 -0.02 0.00 0.00 33.50 32.10 1pbg n PRO 175 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1pbg n PRO 176 N -0.17 0.31 -1.66 0.52 -0.04 -1.26 -4.68 135.00 128.01 1pbg n PRO 176 Ca 0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1pbg n PRO 176 Cb 0.41 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1pbg n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pbg n GLY 177 N -0.35 0.73 3.77 0.55 0.00 0.12 -4.99 105.19 105.03 1pbg n GLY 177 Ca 0.06 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 1pbg n GLY 177 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pbg s ILE 178 N -2.47 3.46 0.08 -0.61 1.01 -0.57 -4.63 121.20 117.47 1pbg s ILE 178 Ca 0.00 1.32 0.09 0.00 0.00 0.00 0.00 60.65 62.06 1pbg s ILE 178 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1pbg s ILE 178 CO 0.00 0.21 -0.21 -0.54 0.00 0.00 0.00 174.94 174.40 1pbg s LYS 179 N -1.90 1.82 -1.36 2.79 1.02 -1.25 -2.33 119.74 118.54 1pbg s LYS 179 Ca 0.50 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1pbg s LYS 179 Cb -0.29 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1pbg s LYS 179 CO 0.37 0.50 0.00 0.66 -0.92 0.00 0.00 175.35 175.96 1pbg n TYR 180 N 1.21 -0.42 -2.99 3.18 4.01 0.39 -4.87 117.16 117.67 1pbg n TYR 180 Ca -0.16 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.13 1pbg n TYR 180 Cb 0.52 -2.54 -0.03 0.00 -0.31 0.00 0.00 39.34 36.99 1pbg n TYR 180 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1pbg s ASP 181 N -2.09 6.61 0.43 7.72 -1.08 -0.32 -4.87 116.67 123.08 1pbg s ASP 181 Ca 0.00 -2.07 0.21 0.00 -0.52 0.00 0.00 52.55 50.18 1pbg s ASP 181 Cb 0.00 -2.37 0.98 0.00 -1.46 0.00 0.00 42.92 40.07 1pbg s ASP 181 CO 0.00 -1.01 1.87 -0.07 0.52 0.00 0.00 175.17 176.48 1pbg h LEU 182 N 10.03 0.00 -0.44 -1.34 3.38 -1.86 -2.42 115.31 122.66 1pbg h LEU 182 Ca 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1pbg h LEU 182 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1pbg h LEU 182 CO 1.06 0.26 -0.30 0.00 0.09 0.00 0.00 178.44 179.55 1pbg h ALA 183 N 1.74 0.63 0.00 1.53 0.00 -1.90 -2.01 119.26 119.25 1pbg h ALA 183 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1pbg h ALA 183 Cb 0.65 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1pbg h ALA 183 CO 0.03 0.68 -0.48 0.87 0.00 0.00 0.00 179.25 180.35 1pbg h LYS 184 N 0.82 0.00 0.68 0.00 1.57 -1.87 0.18 116.57 117.96 1pbg h LYS 184 Ca 0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1pbg h LYS 184 Cb 0.89 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.20 1pbg h LYS 184 CO 0.08 0.48 -0.33 0.28 -0.57 0.00 0.00 179.45 179.40 1pbg h VAL 185 N 0.00 0.22 -0.42 0.50 2.07 -1.16 -0.68 116.25 116.78 1pbg h VAL 185 Ca -0.00 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1pbg h VAL 185 Cb 0.87 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1pbg h VAL 185 CO 0.06 0.02 0.02 -0.26 0.02 0.00 0.00 177.57 177.43 1pbg h PHE 186 N -1.09 0.69 -0.39 1.57 0.04 -1.25 -0.93 116.94 115.57 1pbg h PHE 186 Ca -0.09 -0.08 -0.07 0.00 2.80 0.00 0.00 57.97 60.53 1pbg h PHE 186 Cb 0.74 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1pbg h PHE 186 CO -0.00 0.64 -0.02 0.37 -0.60 0.00 0.00 178.31 178.70 1pbg h GLN 187 N 0.63 0.70 -0.30 1.51 5.75 -0.59 -0.81 115.11 122.01 1pbg h GLN 187 Ca 0.13 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1pbg h GLN 187 Cb 0.36 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1pbg h GLN 187 CO 0.01 0.81 0.18 1.03 -2.65 0.00 0.00 178.83 178.21 1pbg h SER 188 N 0.53 0.35 -0.55 -0.69 0.87 -0.82 -0.09 113.55 113.15 1pbg h SER 188 Ca 0.11 -0.05 0.08 0.00 -1.23 0.00 0.00 61.79 60.70 1pbg h SER 188 Cb 0.50 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.30 1pbg h SER 188 CO 0.02 0.29 0.19 0.45 -0.53 0.00 0.00 176.83 177.26 1pbg h HIS 189 N 0.38 0.33 0.77 2.24 3.86 -0.97 -1.22 115.15 120.54 1pbg h HIS 189 Ca 0.11 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1pbg h HIS 189 Cb 0.00 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.42 1pbg h HIS 189 CO -0.04 0.09 -0.37 1.25 0.86 0.00 0.00 177.93 179.71 1pbg h HIS 190 N 0.36 -0.96 -0.93 2.45 6.17 -0.74 -1.92 115.15 119.58 1pbg h HIS 190 Ca 0.27 -0.02 0.15 0.00 0.71 0.00 0.00 60.37 61.48 1pbg h HIS 190 Cb 0.32 0.32 -0.10 0.00 2.52 0.00 0.00 27.41 30.47 1pbg h HIS 190 CO -0.17 -0.59 0.53 -0.91 0.71 0.00 0.00 177.93 177.50 1pbg h ASN 191 N -1.24 0.70 -0.06 3.26 4.21 -0.95 -0.00 115.58 121.49 1pbg h ASN 191 Ca -0.11 0.08 -0.12 0.00 1.21 0.00 0.00 56.30 57.37 1pbg h ASN 191 Cb 0.80 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.95 1pbg h ASN 191 CO 0.17 0.30 -0.34 0.24 -1.29 0.00 0.00 177.43 176.51 1pbg h MET 192 N 0.75 0.55 0.00 0.81 2.86 -1.22 -1.79 114.93 116.88 1pbg h MET 192 Ca 0.51 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.81 1pbg h MET 192 Cb 0.69 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1pbg h MET 192 CO -0.35 0.82 -0.41 0.52 1.06 0.00 0.00 176.91 178.55 1pbg h MET 193 N 0.47 0.00 -0.29 1.72 2.86 -0.41 -0.54 114.93 118.74 1pbg h MET 193 Ca 0.05 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 1pbg h MET 193 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1pbg h MET 193 CO 0.07 0.41 -0.56 0.28 1.06 0.00 0.00 176.91 178.17 1pbg h VAL 194 N 0.00 1.27 -0.50 -2.22 2.07 -0.69 -1.81 116.25 114.37 1pbg h VAL 194 Ca -0.00 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1pbg h VAL 194 Cb 0.89 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1pbg h VAL 194 CO 0.05 0.57 0.32 0.28 0.02 0.00 0.00 177.57 178.81 1pbg h SER 195 N 0.67 0.59 0.13 0.57 0.02 -0.92 -0.98 113.55 113.64 1pbg h SER 195 Ca 0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1pbg h SER 195 Cb 1.17 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1pbg h SER 195 CO 0.12 0.45 -0.06 -0.74 -1.14 0.00 0.00 176.83 175.46 1pbg h HIS 196 N 0.68 -0.17 -0.57 3.45 6.17 -1.04 -1.85 115.15 121.82 1pbg h HIS 196 Ca 0.18 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.25 1pbg h HIS 196 Cb -0.04 0.05 -0.03 0.00 2.52 0.00 0.00 27.41 29.92 1pbg h HIS 196 CO -0.03 -0.10 0.31 0.00 0.71 0.00 0.00 177.93 178.82 1pbg h ALA 197 N 0.68 1.48 -0.06 5.26 0.00 -0.99 0.48 119.26 126.11 1pbg h ALA 197 Ca -0.02 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1pbg h ALA 197 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pbg h ALA 197 CO 0.03 0.43 -0.73 0.00 0.00 0.00 0.00 179.25 178.98 1pbg h ARG 198 N 0.79 0.32 -0.06 0.00 3.08 -1.08 -1.79 114.38 115.64 1pbg h ARG 198 Ca 0.20 -0.26 -0.25 0.00 0.07 0.00 0.00 59.98 59.74 1pbg h ARG 198 Cb 0.02 0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.14 1pbg h ARG 198 CO -0.03 0.91 -0.94 0.00 -1.07 0.00 0.00 179.97 178.84 1pbg h ALA 199 N 1.01 0.21 -0.46 0.04 0.00 -0.96 -1.13 119.26 117.97 1pbg h ALA 199 Ca -0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1pbg h ALA 199 Cb 1.30 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1pbg h ALA 199 CO 0.12 0.69 0.19 0.28 0.00 0.00 0.00 179.25 180.53 1pbg h VAL 200 N 0.45 1.20 -0.19 0.00 2.07 -0.92 -1.05 116.25 117.80 1pbg h VAL 200 Ca -0.10 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1pbg h VAL 200 Cb 1.59 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1pbg h VAL 200 CO 0.19 0.23 0.04 0.50 0.02 0.00 0.00 177.57 178.55 1pbg h LYS 201 N 0.60 0.31 -0.81 1.57 3.64 -1.33 -2.46 116.57 118.09 1pbg h LYS 201 Ca 0.15 -0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 1pbg h LYS 201 Cb 0.18 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.88 1pbg h LYS 201 CO -0.01 0.45 0.43 1.25 -2.27 0.00 0.00 179.45 179.29 1pbg h LEU 202 N 0.12 0.56 -0.27 5.20 6.46 -1.01 0.14 115.31 126.52 1pbg h LEU 202 Ca 0.06 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1pbg h LEU 202 Cb 0.28 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1pbg h LEU 202 CO 0.00 0.29 0.14 0.22 -0.62 0.00 0.00 178.44 178.47 1pbg h TYR 203 N 0.67 0.26 -0.23 1.25 3.20 -1.00 -1.16 116.97 119.97 1pbg h TYR 203 Ca 0.41 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.16 1pbg h TYR 203 Cb 0.49 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1pbg h TYR 203 CO -0.09 0.15 -0.43 0.87 -1.64 0.00 0.00 178.16 177.02 1pbg h LYS 204 N 0.29 0.55 -0.52 1.82 1.79 -0.86 -2.90 116.57 116.73 1pbg h LYS 204 Ca 0.11 -0.29 -0.10 0.00 -2.18 0.00 0.00 60.65 58.19 1pbg h LYS 204 Cb 0.03 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1pbg h LYS 204 CO -0.07 0.87 -0.06 -0.44 -1.08 0.00 0.00 179.45 178.68 1pbg h ASP 205 N 0.45 0.96 0.55 0.86 3.32 -0.49 -2.03 116.42 120.03 1pbg h ASP 205 Ca 0.03 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1pbg h ASP 205 Cb 0.93 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1pbg h ASP 205 CO 0.08 1.06 0.00 0.29 -1.72 0.00 0.00 179.24 178.95 1pbg n LYS 206 N -4.23 0.02 -2.04 3.56 4.76 -0.46 -4.91 118.16 114.86 1pbg n LYS 206 Ca 0.01 0.21 -0.04 0.00 -2.87 0.00 0.00 58.31 55.62 1pbg n LYS 206 Cb 0.36 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1pbg n LYS 206 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pbg n GLY 207 N 0.20 0.22 3.77 0.72 0.00 -0.76 -5.03 105.19 104.31 1pbg n GLY 207 Ca 0.04 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1pbg n GLY 207 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pbg s TYR 208 N -2.20 2.61 -2.52 1.61 2.02 -1.11 -4.95 117.35 112.81 1pbg s TYR 208 Ca 0.00 1.52 0.27 0.00 -0.37 0.00 0.00 57.07 58.49 1pbg s TYR 208 Cb 0.00 -3.41 0.91 0.00 -0.40 0.00 0.00 41.96 39.06 1pbg s TYR 208 CO 0.00 -1.85 1.66 1.63 -1.57 0.00 0.00 175.55 175.43 1pbg n LYS 209 N -1.14 1.76 0.00 -0.62 4.76 -1.26 -4.89 118.16 116.76 1pbg n LYS 209 Ca 0.11 -1.11 0.00 0.00 -2.87 0.00 0.00 58.31 54.44 1pbg n LYS 209 Cb 0.49 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 1pbg n LYS 209 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pbg n GLY 210 N 1.19 0.72 3.17 0.72 0.00 -1.26 -5.09 105.19 104.64 1pbg n GLY 210 Ca 0.18 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 1pbg n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pbg s GLU 211 N 1.43 1.78 0.02 1.61 2.02 0.12 -5.02 118.70 120.67 1pbg s GLU 211 Ca 0.00 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.37 1pbg s GLU 211 Cb 0.00 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.61 1pbg s GLU 211 CO 0.00 0.33 -0.16 -1.50 0.02 0.00 0.00 175.26 173.94 1pbg s ILE 212 N -0.18 1.31 0.00 -1.63 2.07 -1.26 -0.60 121.20 120.91 1pbg s ILE 212 Ca 0.01 -0.92 0.00 0.00 -1.41 0.00 0.00 60.65 58.32 1pbg s ILE 212 Cb -0.10 -1.13 0.00 0.00 0.13 0.00 0.00 42.46 41.36 1pbg s ILE 212 CO 0.01 0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.84 1pbg n GLY 213 N 2.20 3.48 2.95 1.50 0.00 -0.87 -0.99 105.19 113.45 1pbg n GLY 213 Ca -0.16 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1pbg n GLY 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pbg s VAL 214 N -2.40 0.07 -0.23 1.61 0.11 -1.24 -2.79 120.40 115.53 1pbg s VAL 214 Ca 0.00 -0.58 -0.07 0.00 -2.93 0.00 0.00 61.98 58.41 1pbg s VAL 214 Cb 0.00 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 1pbg s VAL 214 CO 0.00 -0.32 0.05 -0.69 -3.33 0.00 0.00 175.10 170.81 1pbg s VAL 215 N -0.93 4.26 -0.03 2.04 1.01 -1.08 -0.68 120.40 124.99 1pbg s VAL 215 Ca -0.10 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1pbg s VAL 215 Cb -0.06 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1pbg s VAL 215 CO -0.01 0.38 -0.24 -1.00 0.00 0.00 0.00 175.10 174.23 1pbg s HIS 216 N 1.30 2.39 -0.26 5.22 3.76 0.12 -2.40 115.29 125.43 1pbg s HIS 216 Ca 0.05 -0.47 -0.24 0.00 -0.15 0.00 0.00 55.06 54.24 1pbg s HIS 216 Cb -0.15 -1.54 -0.00 0.00 1.11 0.00 0.00 32.58 32.01 1pbg s HIS 216 CO 0.03 -0.05 0.83 0.00 -0.85 0.00 0.00 174.74 174.69 1pbg s ALA 217 N -0.53 3.62 -0.58 -1.40 0.00 -1.26 -1.44 121.76 120.17 1pbg s ALA 217 Ca 0.07 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 51.90 1pbg s ALA 217 Cb -0.11 -3.30 0.22 0.00 0.00 0.00 0.00 23.12 19.93 1pbg s ALA 217 CO 0.00 -1.01 0.58 1.28 0.00 0.00 0.00 175.76 176.62 1pbg n LEU 218 N 6.08 2.27 -4.66 0.00 4.77 -0.88 -4.87 117.00 119.70 1pbg n LEU 218 Ca 0.05 -5.09 -0.43 0.00 -0.03 0.00 0.00 56.01 50.52 1pbg n LEU 218 Cb 0.48 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1pbg n LEU 218 CO 0.48 1.96 1.24 -2.16 -1.33 0.00 0.00 177.39 177.58 1pbg s PRO 219 N -1.61 4.21 0.27 3.23 0.04 -1.26 -4.91 135.00 134.97 1pbg s PRO 219 Ca 0.34 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 1pbg s PRO 219 Cb 0.09 -3.88 -0.11 0.00 0.04 0.00 0.00 34.50 30.64 1pbg s PRO 219 CO -0.10 -0.78 1.54 0.99 0.04 0.00 0.00 177.00 178.70 1pbg s THR 220 N 3.74 2.27 -0.20 1.26 2.01 -1.26 -4.78 115.64 118.69 1pbg s THR 220 Ca 0.65 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.83 1pbg s THR 220 Cb -0.28 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1pbg s THR 220 CO 0.23 0.04 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.64 1pbg s LYS 221 N -0.41 3.58 0.16 4.92 -0.14 -1.26 -0.36 119.74 126.22 1pbg s LYS 221 Ca 0.62 -0.54 0.11 0.00 -1.36 0.00 0.00 55.97 54.80 1pbg s LYS 221 Cb -0.46 -3.03 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 1pbg s LYS 221 CO 0.46 0.02 -0.24 0.71 -0.76 0.00 0.00 175.35 175.53 1pbg s TYR 222 N 0.97 2.23 0.24 3.18 2.02 0.70 -4.89 117.35 121.80 1pbg s TYR 222 Ca 0.01 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 1pbg s TYR 222 Cb -0.14 -1.15 -0.09 0.00 -0.40 0.00 0.00 41.96 40.18 1pbg s TYR 222 CO 0.01 0.41 0.98 -1.25 -1.57 0.00 0.00 175.55 174.13 1pbg s PRO 223 N -2.41 4.80 0.22 -1.71 0.04 -1.26 0.45 135.00 135.13 1pbg s PRO 223 Ca 0.17 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.69 1pbg s PRO 223 Cb -0.09 -3.26 0.28 0.00 0.04 0.00 0.00 34.50 31.48 1pbg s PRO 223 CO 0.08 0.44 1.81 -0.92 0.04 0.00 0.00 177.00 178.44 1pbg h TYR 224 N 4.12 0.72 -3.73 0.56 3.20 -0.04 -3.35 116.97 118.45 1pbg h TYR 224 Ca -0.45 0.03 -0.64 0.00 3.14 0.00 0.00 58.73 60.80 1pbg h TYR 224 Cb 1.20 -0.22 -0.38 0.00 1.54 0.00 0.00 36.73 38.88 1pbg h TYR 224 CO 0.61 0.32 -0.78 0.34 -1.64 0.00 0.00 178.16 177.00 1pbg s ASP 225 N -5.59 4.20 0.43 -2.11 -1.08 -1.26 -4.98 116.67 106.28 1pbg s ASP 225 Ca -0.13 -1.38 0.09 0.00 -0.52 0.00 0.00 52.55 50.61 1pbg s ASP 225 Cb 0.17 -1.37 0.93 0.00 -1.46 0.00 0.00 42.92 41.19 1pbg s ASP 225 CO 0.77 -0.23 2.07 -0.65 0.52 0.00 0.00 175.17 177.64 1pbg h PRO 226 N 7.85 0.45 0.00 4.34 0.11 -1.98 -1.48 132.00 141.28 1pbg h PRO 226 Ca -0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1pbg h PRO 226 Cb 1.05 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1pbg h PRO 226 CO 0.44 0.30 0.00 0.39 -0.21 0.00 0.00 178.00 178.92 1pbg n GLU 227 N -4.48 0.44 -3.57 1.05 1.02 -1.26 -4.66 120.64 109.19 1pbg n GLU 227 Ca 0.03 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 1pbg n GLU 227 Cb 0.08 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.90 1pbg n GLU 227 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1pbg s ASN 228 N -2.54 5.79 0.40 1.62 3.84 -0.56 -4.97 114.94 118.52 1pbg s ASN 228 Ca 0.28 -1.13 0.15 0.00 0.21 0.00 0.00 52.86 52.37 1pbg s ASN 228 Cb 0.20 -2.04 1.01 0.00 -0.55 0.00 0.00 41.25 39.86 1pbg s ASN 228 CO 0.44 -0.45 1.85 -0.65 -2.79 0.00 0.00 177.10 175.49 1pbg h PRO 229 N 8.48 0.47 -0.16 0.43 0.11 -1.84 0.15 132.00 139.64 1pbg h PRO 229 Ca -0.25 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 1pbg h PRO 229 Cb 1.10 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1pbg h PRO 229 CO 0.71 0.31 -0.39 0.00 -0.21 0.00 0.00 178.00 178.42 1pbg h ALA 230 N 1.61 1.03 -0.28 -0.75 0.00 -1.93 -1.42 119.26 117.52 1pbg h ALA 230 Ca 0.48 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1pbg h ALA 230 Cb 1.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1pbg h ALA 230 CO -0.21 0.60 -0.34 -0.44 0.00 0.00 0.00 179.25 178.86 1pbg h ASP 231 N 0.30 0.79 -0.60 0.00 5.19 -1.04 -1.56 116.42 119.50 1pbg h ASP 231 Ca 0.03 -0.49 -0.02 0.00 -0.62 0.00 0.00 57.03 55.93 1pbg h ASP 231 Cb 0.83 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 1pbg h ASP 231 CO 0.07 1.13 0.30 0.58 -3.12 0.00 0.00 179.24 178.19 1pbg h VAL 232 N 0.48 1.21 -0.28 -1.35 2.07 -1.08 -1.51 116.25 115.78 1pbg h VAL 232 Ca 0.04 -0.58 -0.18 0.00 0.82 0.00 0.00 66.70 66.80 1pbg h VAL 232 Cb 0.93 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1pbg h VAL 232 CO 0.08 0.24 -0.51 -0.09 0.02 0.00 0.00 177.57 177.31 1pbg h ARG 233 N 0.89 0.85 -0.83 1.57 1.12 -1.13 -2.03 114.38 114.81 1pbg h ARG 233 Ca 0.22 -0.53 0.01 0.00 -1.11 0.00 0.00 59.98 58.56 1pbg h ARG 233 Cb 0.09 0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.07 1pbg h ARG 233 CO -0.03 1.17 0.54 0.00 -3.11 0.00 0.00 179.97 178.53 1pbg h ALA 234 N 0.67 1.05 -0.63 2.80 0.00 -0.88 -0.69 119.26 121.59 1pbg h ALA 234 Ca 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1pbg h ALA 234 Cb 1.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1pbg h ALA 234 CO 0.12 0.47 0.15 0.00 0.00 0.00 0.00 179.25 179.99 1pbg h ALA 235 N 1.29 0.83 -0.75 0.00 0.00 -1.23 -1.30 119.26 118.10 1pbg h ALA 235 Ca 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1pbg h ALA 235 Cb -0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1pbg h ALA 235 CO -0.06 0.54 0.29 1.49 0.00 0.00 0.00 179.25 181.51 1pbg h GLU 236 N 0.92 1.12 -0.12 0.00 4.81 -0.83 0.24 114.58 120.73 1pbg h GLU 236 Ca 0.20 -0.21 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1pbg h GLU 236 Cb 0.36 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1pbg h GLU 236 CO 0.00 0.92 -0.69 -0.07 -0.73 0.00 0.00 179.01 178.44 1pbg h LEU 237 N 1.08 0.58 -0.66 1.64 3.38 -0.98 -2.39 115.31 117.96 1pbg h LEU 237 Ca 0.25 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1pbg h LEU 237 Cb 0.22 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1pbg h LEU 237 CO -0.02 1.10 0.27 -0.08 0.09 0.00 0.00 178.44 179.80 1pbg h GLU 238 N 0.35 0.98 0.00 1.13 4.57 -0.85 -2.49 114.58 118.28 1pbg h GLU 238 Ca -0.02 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 1pbg h GLU 238 Cb 1.26 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1pbg h GLU 238 CO 0.12 0.82 -0.28 0.22 -1.18 0.00 0.00 179.01 178.72 1pbg h ASP 239 N 0.93 0.00 -0.22 1.04 3.58 -0.85 -2.36 116.42 118.54 1pbg h ASP 239 Ca 0.22 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.46 1pbg h ASP 239 Cb 0.20 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.25 1pbg h ASP 239 CO -0.02 0.28 -0.67 0.40 -2.88 0.00 0.00 179.24 176.35 1pbg h ILE 240 N 0.00 1.27 -0.02 2.25 2.04 -1.01 0.53 117.51 122.58 1pbg h ILE 240 Ca -0.00 -1.86 -0.00 0.00 1.00 0.00 0.00 64.86 64.00 1pbg h ILE 240 Cb 0.59 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1pbg h ILE 240 CO 0.04 0.60 0.00 0.40 0.00 0.00 0.00 178.15 179.19 1pbg h ILE 241 N 0.60 1.18 0.14 -0.67 2.04 -1.08 -2.92 117.51 116.80 1pbg h ILE 241 Ca -0.02 -0.53 -0.36 0.00 1.00 0.00 0.00 64.86 64.95 1pbg h ILE 241 Cb 1.29 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1pbg h ILE 241 CO 0.14 0.14 -1.90 0.45 0.00 0.00 0.00 178.15 176.98 1pbg h HIS 242 N -0.20 0.54 0.00 1.37 3.86 -1.50 -3.46 115.15 115.76 1pbg h HIS 242 Ca 0.00 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1pbg h HIS 242 Cb 0.23 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1pbg h HIS 242 CO 0.00 1.72 -0.25 0.09 0.86 0.00 0.00 177.93 180.34 1pbg n ASN 243 N -3.50 1.10 -0.15 2.45 3.02 0.11 -4.75 115.26 113.55 1pbg n ASN 243 Ca -0.29 0.16 -0.03 0.00 -0.03 0.00 0.00 54.58 54.39 1pbg n ASN 243 Cb 1.06 -0.41 0.04 0.00 -0.61 0.00 0.00 39.78 39.87 1pbg n ASN 243 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1pbg h LYS 244 N -0.25 0.08 -0.30 3.52 3.64 -0.32 -1.23 116.57 121.71 1pbg h LYS 244 Ca 0.00 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1pbg h LYS 244 Cb 0.25 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1pbg h LYS 244 CO 0.00 0.05 -0.13 0.35 -2.27 0.00 0.00 179.45 177.45 1pbg h PHE 245 N 0.08 -0.32 -0.42 1.91 3.57 -1.74 0.50 116.94 120.53 1pbg h PHE 245 Ca 0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1pbg h PHE 245 Cb 0.35 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1pbg h PHE 245 CO -0.32 -0.20 0.18 0.82 -2.23 0.00 0.00 178.31 176.55 1pbg h ILE 246 N -0.09 1.19 -0.58 1.41 2.04 -1.77 -2.42 117.51 117.30 1pbg h ILE 246 Ca 0.15 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1pbg h ILE 246 Cb 0.32 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1pbg h ILE 246 CO -0.35 0.21 0.10 -0.07 0.00 0.00 0.00 178.15 178.04 1pbg h LEU 247 N 0.53 0.87 -0.56 1.44 3.38 -0.83 -1.84 115.31 118.29 1pbg h LEU 247 Ca 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1pbg h LEU 247 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1pbg h LEU 247 CO -0.01 0.88 0.21 0.44 0.09 0.00 0.00 178.44 180.05 1pbg h ASP 248 N 0.87 0.79 0.00 -0.43 5.19 -0.75 0.12 116.42 122.22 1pbg h ASP 248 Ca 0.18 -0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1pbg h ASP 248 Cb 0.38 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1pbg h ASP 248 CO 0.01 0.75 -0.12 0.00 -3.12 0.00 0.00 179.24 176.76 1pbg h ALA 249 N 1.07 1.50 0.03 3.45 0.00 -1.18 0.13 119.26 124.25 1pbg h ALA 249 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pbg h ALA 249 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pbg h ALA 249 CO -0.01 0.36 -0.01 1.15 0.00 0.00 0.00 179.25 180.73 1pbg h THR 250 N 0.25 1.44 0.00 0.00 2.02 -0.80 -3.33 112.91 112.49 1pbg h THR 250 Ca 0.05 -1.67 -0.00 0.00 0.77 0.00 0.00 66.41 65.56 1pbg h THR 250 Cb 0.37 2.52 -0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1pbg h THR 250 CO 0.02 0.41 -1.90 -1.22 0.37 0.00 0.00 175.52 173.21 1pbg n TYR 251 N -4.76 0.00 0.13 3.16 4.01 0.37 -4.27 117.16 115.80 1pbg n TYR 251 Ca -0.09 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.74 1pbg n TYR 251 Cb 0.35 -0.45 -0.13 0.00 -0.31 0.00 0.00 39.34 38.80 1pbg n TYR 251 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1pbg n LEU 252 N -2.19 0.14 -0.02 7.72 4.77 0.43 -4.84 117.00 123.02 1pbg n LEU 252 Ca -0.04 -0.09 -0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1pbg n LEU 252 Cb 0.52 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1pbg n LEU 252 CO 0.41 0.03 -0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1pbg n GLY 253 N 1.51 0.47 3.66 -0.72 0.00 -0.96 -4.88 105.19 104.26 1pbg n GLY 253 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.85 1pbg n GLY 253 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pbg s HIS 254 N -1.94 -0.06 -0.14 1.61 0.00 -1.23 -3.93 115.29 109.59 1pbg s HIS 254 Ca 0.00 -0.09 -0.17 0.00 -3.00 0.00 0.00 55.06 51.80 1pbg s HIS 254 Cb 0.00 0.57 -0.04 0.00 -4.00 0.00 0.00 32.58 29.11 1pbg s HIS 254 CO 0.00 -0.39 0.43 0.71 -1.00 0.00 0.00 174.74 174.49 1pbg s TYR 255 N -2.58 3.48 1.02 0.38 2.02 -1.26 -4.11 117.35 116.30 1pbg s TYR 255 Ca 0.14 0.79 -0.12 0.00 -0.37 0.00 0.00 57.07 57.51 1pbg s TYR 255 Cb 0.03 -2.52 0.20 0.00 -0.40 0.00 0.00 41.96 39.28 1pbg s TYR 255 CO -0.02 0.14 1.08 -1.54 -1.57 0.00 0.00 175.55 173.63 1pbg s SER 256 N 0.68 2.22 0.22 2.29 1.04 -1.26 -4.68 113.70 114.21 1pbg s SER 256 Ca 0.23 1.61 -0.09 0.00 0.48 0.00 0.00 55.95 58.18 1pbg s SER 256 Cb -0.15 -2.28 0.18 0.00 0.10 0.00 0.00 66.02 63.88 1pbg s SER 256 CO 0.09 -3.44 1.89 0.44 0.98 0.00 0.00 173.24 173.20 1pbg h ASP 257 N -2.10 0.95 -0.47 7.02 3.32 -1.98 -0.09 116.42 123.07 1pbg h ASP 257 Ca -0.54 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.52 1pbg h ASP 257 Cb 1.31 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1pbg h ASP 257 CO 0.50 0.68 0.25 0.11 -1.72 0.00 0.00 179.24 179.07 1pbg h LYS 258 N 1.12 0.49 0.42 3.56 1.57 -1.98 0.22 116.57 121.96 1pbg h LYS 258 Ca 0.30 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1pbg h LYS 258 Cb -0.13 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.07 1pbg h LYS 258 CO -0.07 0.32 -0.20 1.15 -0.57 0.00 0.00 179.45 180.08 1pbg h THR 259 N 0.50 0.57 -0.60 -0.16 2.02 -1.78 -0.17 112.91 113.29 1pbg h THR 259 Ca 0.20 -0.30 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1pbg h THR 259 Cb 0.07 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 1pbg h THR 259 CO -0.12 0.05 0.27 0.24 0.37 0.00 0.00 175.52 176.33 1pbg h MET 260 N -0.75 0.48 0.05 6.66 2.86 -0.88 0.33 114.93 123.68 1pbg h MET 260 Ca -0.06 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1pbg h MET 260 Cb 0.52 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1pbg h MET 260 CO 0.10 0.31 -0.07 1.49 1.06 0.00 0.00 176.91 179.80 1pbg h GLU 261 N 0.49 -0.14 -0.45 1.72 4.81 -0.49 0.11 114.58 120.64 1pbg h GLU 261 Ca 0.29 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1pbg h GLU 261 Cb 0.28 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1pbg h GLU 261 CO -0.24 -0.09 0.26 0.78 -0.73 0.00 0.00 179.01 178.99 1pbg h GLY 262 N -0.14 0.62 1.08 1.92 0.00 -0.26 -1.21 103.07 105.08 1pbg h GLY 262 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1pbg h GLY 262 CO -0.03 0.17 0.56 -2.08 0.00 0.00 0.00 176.54 175.16 1pbg h VAL 263 N 0.53 1.25 -0.44 4.60 2.07 -0.09 -0.66 116.25 123.51 1pbg h VAL 263 Ca 0.18 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1pbg h VAL 263 Cb 0.01 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 1pbg h VAL 263 CO -0.08 0.25 0.12 0.78 0.02 0.00 0.00 177.57 178.66 1pbg h ASN 264 N 1.25 0.66 0.06 0.57 -0.26 -0.44 -1.75 115.58 115.67 1pbg h ASN 264 Ca 0.33 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1pbg h ASN 264 Cb -0.08 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.01 1pbg h ASN 264 CO -0.06 0.72 -0.03 -0.74 -1.06 0.00 0.00 177.43 176.26 1pbg h HIS 265 N 0.58 -0.07 -0.97 1.19 2.76 -0.88 -0.03 115.15 117.73 1pbg h HIS 265 Ca 0.14 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1pbg h HIS 265 Cb 0.31 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.23 1pbg h HIS 265 CO 0.02 0.04 0.63 0.82 -1.30 0.00 0.00 177.93 178.14 1pbg h ILE 266 N -0.17 1.10 0.00 6.26 2.04 -1.05 -1.72 117.51 123.98 1pbg h ILE 266 Ca -0.01 -0.39 -0.17 0.00 1.00 0.00 0.00 64.86 65.28 1pbg h ILE 266 Cb 0.14 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1pbg h ILE 266 CO 0.01 0.21 -0.84 -0.07 0.00 0.00 0.00 178.15 177.46 1pbg h LEU 267 N 1.15 0.00 -0.54 1.44 3.38 -1.26 -1.57 115.31 117.90 1pbg h LEU 267 Ca 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 1pbg h LEU 267 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1pbg h LEU 267 CO -0.15 0.82 0.24 0.00 0.09 0.00 0.00 178.44 179.43 1pbg h ALA 268 N 1.18 0.70 -0.16 1.53 0.00 -0.41 1.51 119.26 123.62 1pbg h ALA 268 Ca -0.02 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1pbg h ALA 268 Cb 1.63 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1pbg h ALA 268 CO 0.10 0.29 -0.67 0.93 0.00 0.00 0.00 179.25 179.90 1pbg h GLU 269 N 0.73 0.62 -0.00 0.00 4.39 -1.34 -3.35 114.58 115.63 1pbg h GLU 269 Ca 0.18 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1pbg h GLU 269 Cb 0.16 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1pbg h GLU 269 CO -0.02 1.08 -0.62 0.09 -1.16 0.00 0.00 179.01 178.38 1pbg n ASN 270 N -3.92 0.75 0.00 1.42 3.02 -0.60 -4.97 115.26 110.96 1pbg n ASN 270 Ca -0.05 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1pbg n ASN 270 Cb 0.68 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 40.80 1pbg n ASN 270 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pbg n GLY 271 N 1.30 0.64 0.00 7.41 0.00 0.51 -4.90 105.19 110.16 1pbg n GLY 271 Ca 0.03 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1pbg n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pbg n GLY 272 N 0.70 0.98 3.23 -0.02 0.00 -1.26 -4.39 105.19 104.42 1pbg n GLY 272 Ca 0.00 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 1pbg n GLY 272 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pbg s GLU 273 N -2.24 0.74 0.10 1.61 8.01 -1.26 -4.81 118.70 120.85 1pbg s GLU 273 Ca 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 54.97 54.49 1pbg s GLU 273 Cb 0.00 0.32 -0.05 0.00 -4.31 0.00 0.00 34.13 30.09 1pbg s GLU 273 CO 0.00 -0.22 0.33 -0.51 0.01 0.00 0.00 175.26 174.86 1pbg s LEU 274 N -1.86 4.30 -0.55 1.80 1.43 -1.26 -4.97 118.68 117.58 1pbg s LEU 274 Ca -0.08 0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 53.41 1pbg s LEU 274 Cb -0.02 -3.13 0.14 0.00 0.03 0.00 0.00 46.19 43.20 1pbg s LEU 274 CO -0.01 0.11 0.50 -0.62 0.23 0.00 0.00 176.35 176.55 1pbg s ASP 275 N -2.31 6.15 -0.29 2.29 2.15 -1.26 -5.03 116.67 118.37 1pbg s ASP 275 Ca 0.37 -1.89 0.01 0.00 0.43 0.00 0.00 52.55 51.48 1pbg s ASP 275 Cb -0.13 -2.18 0.06 0.00 -0.30 0.00 0.00 42.92 40.38 1pbg s ASP 275 CO 0.24 -0.81 -0.04 -0.76 -0.17 0.00 0.00 175.17 173.63 1pbg s LEU 276 N 1.44 3.79 0.17 -1.34 1.43 -1.26 -5.02 118.68 117.89 1pbg s LEU 276 Ca 0.05 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 1pbg s LEU 276 Cb -0.28 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1pbg s LEU 276 CO 0.01 -0.24 0.34 -0.13 0.23 0.00 0.00 176.35 176.56 1pbg s ARG 277 N 1.15 3.49 0.37 1.70 3.00 -1.26 -5.02 118.95 122.37 1pbg s ARG 277 Ca -0.05 -0.44 0.04 0.00 0.00 0.00 0.00 55.73 55.28 1pbg s ARG 277 Cb -0.20 -2.90 0.70 0.00 0.00 0.00 0.00 34.95 32.55 1pbg s ARG 277 CO -0.04 0.46 1.99 -0.44 0.00 0.00 0.00 175.30 177.28 1pbg h ASP 278 N 2.14 0.59 0.40 0.23 3.32 -2.00 -0.99 116.42 120.11 1pbg h ASP 278 Ca -0.48 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.44 1pbg h ASP 278 Cb 1.19 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1pbg h ASP 278 CO 0.69 0.48 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.93 1pbg h GLU 279 N 0.67 0.04 0.10 3.56 3.07 -1.98 -1.19 114.58 118.85 1pbg h GLU 279 Ca 0.17 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1pbg h GLU 279 Cb 0.02 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1pbg h GLU 279 CO -0.03 0.46 -0.12 -0.44 -1.40 0.00 0.00 179.01 177.49 1pbg h ASP 280 N 0.03 -0.33 0.67 1.42 3.32 -1.58 -0.48 116.42 119.47 1pbg h ASP 280 Ca -0.00 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1pbg h ASP 280 Cb 0.78 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1pbg h ASP 280 CO 0.06 -0.18 -0.35 -0.26 -1.72 0.00 0.00 179.24 176.79 1pbg h PHE 281 N -0.25 0.00 -0.64 4.55 0.04 -1.39 -1.29 116.94 117.95 1pbg h PHE 281 Ca 0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1pbg h PHE 281 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1pbg h PHE 281 CO -0.14 0.35 0.04 1.96 -0.60 0.00 0.00 178.31 179.93 1pbg h GLN 282 N 0.00 1.10 0.12 1.51 4.20 -0.74 -2.02 115.11 119.27 1pbg h GLN 282 Ca -0.00 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 1pbg h GLN 282 Cb 0.78 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1pbg h GLN 282 CO 0.05 1.04 -0.06 0.00 -0.67 0.00 0.00 178.83 179.19 1pbg h ALA 283 N 1.01 -0.16 -0.95 3.87 0.00 -0.51 -2.73 119.26 119.79 1pbg h ALA 283 Ca 0.19 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1pbg h ALA 283 Cb 0.52 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1pbg h ALA 283 CO 0.02 -0.40 0.63 -0.07 0.00 0.00 0.00 179.25 179.43 1pbg h LEU 284 N -0.54 1.04 -0.86 0.00 3.38 -1.28 -2.54 115.31 114.51 1pbg h LEU 284 Ca -0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1pbg h LEU 284 Cb 0.43 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1pbg h LEU 284 CO 0.03 0.72 0.10 -0.78 0.09 0.00 0.00 178.44 178.60 1pbg h ASP 285 N 1.21 0.89 0.79 -0.43 3.58 -1.37 -0.71 116.42 120.38 1pbg h ASP 285 Ca 0.37 -0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 1pbg h ASP 285 Cb -0.02 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 1pbg h ASP 285 CO -0.11 0.90 -0.31 0.00 -2.88 0.00 0.00 179.24 176.84 1pbg h ALA 286 N 1.21 1.05 0.00 -0.78 0.00 -1.14 -3.25 119.26 116.35 1pbg h ALA 286 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pbg h ALA 286 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pbg h ALA 286 CO 0.01 0.39 -1.84 0.00 0.00 0.00 0.00 179.25 177.80 1pbg n ALA 287 N -2.28 3.08 -0.56 0.00 0.00 -1.03 -4.60 120.51 115.12 1pbg n ALA 287 Ca -0.00 -0.52 0.45 0.00 0.00 0.00 0.00 53.44 53.36 1pbg n ALA 287 Cb 0.46 -0.74 0.74 0.00 0.00 0.00 0.00 19.45 19.90 1pbg n ALA 287 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1pbg h LYS 288 N 0.00 0.02 -0.34 0.00 2.10 -1.17 0.22 116.57 117.40 1pbg h LYS 288 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pbg h LYS 288 Cb 0.92 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1pbg h LYS 288 CO 0.00 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.21 1pbg n ASP 289 N -4.36 2.94 -0.96 7.07 8.00 -1.26 -4.58 116.55 123.41 1pbg n ASP 289 Ca 0.41 -1.90 0.11 0.00 0.71 0.00 0.00 54.79 54.12 1pbg n ASP 289 Cb 1.72 -0.22 0.27 0.00 -0.02 0.00 0.00 41.12 42.86 1pbg n ASP 289 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pbg n LEU 290 N 0.82 2.87 -4.71 0.64 4.77 0.77 -4.91 117.00 117.24 1pbg n LEU 290 Ca 0.13 -1.25 -0.40 0.00 -0.03 0.00 0.00 56.01 54.46 1pbg n LEU 290 Cb 0.45 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1pbg n LEU 290 CO 0.10 0.63 0.48 0.20 -1.33 0.00 0.00 177.39 177.46 1pbg s ASN 291 N -1.45 7.04 0.07 -1.43 0.01 -1.26 -4.85 114.94 113.08 1pbg s ASN 291 Ca 0.37 1.26 -0.02 0.00 -0.71 0.00 0.00 52.86 53.75 1pbg s ASN 291 Cb 0.21 -2.44 -0.27 0.00 0.41 0.00 0.00 41.25 39.15 1pbg s ASN 291 CO 0.29 -0.19 1.13 0.44 -1.51 0.00 0.00 177.10 177.27 1pbg h ASP 292 N 6.87 0.35 -5.21 -1.22 3.32 -1.41 -3.46 116.42 115.65 1pbg h ASP 292 Ca -0.39 -0.38 -0.06 0.00 0.02 0.00 0.00 57.03 56.21 1pbg h ASP 292 Cb 1.19 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.52 1pbg h ASP 292 CO 0.77 1.30 -0.15 0.72 -1.72 0.00 0.00 179.24 180.16 1pbg s PHE 293 N -2.66 0.26 -0.03 4.55 -0.12 -1.25 -3.99 117.98 114.74 1pbg s PHE 293 Ca -0.04 -0.62 0.07 0.00 -0.05 0.00 0.00 56.93 56.29 1pbg s PHE 293 Cb 0.07 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.61 1pbg s PHE 293 CO 0.87 -0.89 -0.23 -1.17 -0.05 0.00 0.00 175.22 173.75 1pbg s LEU 294 N -2.97 2.04 -0.22 -1.99 0.20 -0.24 -3.62 118.68 111.88 1pbg s LEU 294 Ca 0.18 -0.45 -0.05 0.00 0.69 0.00 0.00 54.13 54.50 1pbg s LEU 294 Cb 0.01 -1.25 -0.02 0.00 -0.43 0.00 0.00 46.19 44.50 1pbg s LEU 294 CO 0.03 0.26 0.00 -0.83 -0.29 0.00 0.00 176.35 175.53 1pbg s GLY 295 N -0.36 1.70 -0.22 7.98 0.00 0.14 -1.13 107.32 115.43 1pbg s GLY 295 Ca 0.03 -1.07 -0.05 0.00 0.00 0.00 0.00 44.72 43.63 1pbg s GLY 295 CO 0.01 0.35 0.00 -0.42 0.00 0.00 0.00 173.10 173.05 1pbg s ILE 296 N 1.26 3.85 -0.23 0.90 1.01 0.01 0.14 121.20 128.14 1pbg s ILE 296 Ca 0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 1pbg s ILE 296 Cb -0.15 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1pbg s ILE 296 CO 0.01 0.40 0.09 0.20 0.00 0.00 0.00 174.94 175.64 1pbg s ASN 297 N 1.33 5.55 -0.06 3.58 -0.87 -0.52 -1.22 114.94 122.72 1pbg s ASN 297 Ca 0.04 -0.03 -0.03 0.00 -1.57 0.00 0.00 52.86 51.26 1pbg s ASN 297 Cb -0.15 -1.98 0.03 0.00 -0.02 0.00 0.00 41.25 39.13 1pbg s ASN 297 CO 0.01 0.06 0.15 -0.47 -2.57 0.00 0.00 177.10 174.27 1pbg s TYR 298 N 1.08 -0.16 0.00 2.20 6.14 -0.07 -2.07 117.35 124.47 1pbg s TYR 298 Ca 0.05 0.46 0.00 0.00 0.64 0.00 0.00 57.07 58.22 1pbg s TYR 298 Cb -0.14 -0.04 0.00 0.00 0.42 0.00 0.00 41.96 42.20 1pbg s TYR 298 CO 0.04 -0.14 0.00 0.66 0.64 0.00 0.00 175.55 176.75 1pbg n TYR 299 N 3.86 0.00 -3.66 4.97 4.02 -1.26 -4.16 117.16 120.94 1pbg n TYR 299 Ca -0.22 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.62 1pbg n TYR 299 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.84 1pbg n TYR 299 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pbg s MET 300 N -1.73 1.02 0.53 -0.72 0.23 -1.26 -4.81 119.30 112.55 1pbg s MET 300 Ca 0.00 -0.51 0.08 0.00 -1.03 0.00 0.00 55.69 54.23 1pbg s MET 300 Cb 0.00 0.38 0.06 0.00 -1.53 0.00 0.00 34.83 33.74 1pbg s MET 300 CO 0.00 -0.46 0.62 -1.12 -2.03 0.00 0.00 175.02 172.03 1pbg s SER 301 N -2.78 5.02 0.01 -1.18 0.01 -1.26 -4.28 113.70 109.24 1pbg s SER 301 Ca 0.10 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 56.47 1pbg s SER 301 Cb -0.01 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 1pbg s SER 301 CO -0.02 -1.15 -0.07 -1.81 0.41 0.00 0.00 173.24 170.60 1pbg s ASP 302 N -4.48 0.84 -0.12 2.44 1.01 0.51 -4.94 116.67 111.93 1pbg s ASP 302 Ca 0.52 -0.25 -0.00 0.00 0.71 0.00 0.00 52.55 53.53 1pbg s ASP 302 Cb -0.05 -0.05 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 1pbg s ASP 302 CO 0.32 0.00 -0.10 0.26 0.21 0.00 0.00 175.17 175.87 1pbg s TRP 303 N -0.50 2.86 0.03 4.23 0.51 -1.26 -0.22 118.94 124.59 1pbg s TRP 303 Ca -0.01 -0.44 0.03 0.00 -2.12 0.00 0.00 56.10 53.57 1pbg s TRP 303 Cb -0.05 -1.83 -0.04 0.00 -0.81 0.00 0.00 33.47 30.74 1pbg s TRP 303 CO 0.00 -0.07 -0.03 -1.64 -0.51 0.00 0.00 176.95 174.70 1pbg s MET 304 N 0.11 2.61 -0.09 4.98 -1.94 0.17 -1.49 119.30 123.67 1pbg s MET 304 Ca -0.05 -0.73 -0.00 0.00 -1.71 0.00 0.00 55.69 53.21 1pbg s MET 304 Cb -0.14 -2.56 0.02 0.00 2.01 0.00 0.00 34.83 34.16 1pbg s MET 304 CO 0.04 0.59 -0.06 -1.14 -0.01 0.00 0.00 175.02 174.44 1pbg s GLN 305 N -1.74 1.22 0.03 2.03 0.74 0.31 0.66 119.66 122.91 1pbg s GLN 305 Ca 0.20 -0.16 -0.30 0.00 0.05 0.00 0.00 55.36 55.15 1pbg s GLN 305 Cb -0.11 -1.30 -0.08 0.00 1.10 0.00 0.00 33.01 32.62 1pbg s GLN 305 CO 0.12 -0.21 1.81 0.00 -0.55 0.00 0.00 175.29 176.46 1pbg s ALA 306 N 1.50 3.64 -0.30 1.58 0.00 -1.26 -1.06 121.76 125.86 1pbg s ALA 306 Ca -0.00 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.11 1pbg s ALA 306 Cb -0.13 -3.78 0.18 0.00 0.00 0.00 0.00 23.12 19.39 1pbg s ALA 306 CO -0.05 -1.39 0.87 -0.06 0.00 0.00 0.00 175.76 175.14 1pbg s PHE 307 N 3.75 -0.96 -0.01 0.00 0.08 -1.26 -4.90 117.98 114.67 1pbg s PHE 307 Ca 0.81 0.98 -0.30 0.00 0.12 0.00 0.00 56.93 58.54 1pbg s PHE 307 Cb -0.40 0.32 -0.03 0.00 -0.57 0.00 0.00 43.02 42.34 1pbg s PHE 307 CO 0.36 -0.53 0.97 0.16 -0.10 0.00 0.00 175.22 176.08 1pbg s ASP 308 N 2.92 7.34 0.03 1.36 -4.77 -1.26 -4.37 116.67 117.92 1pbg s ASP 308 Ca 0.09 1.63 -0.27 0.00 -3.30 0.00 0.00 52.55 50.69 1pbg s ASP 308 Cb -0.11 -2.56 0.09 0.00 -1.09 0.00 0.00 42.92 39.24 1pbg s ASP 308 CO -0.16 -0.27 1.22 -0.83 0.70 0.00 0.00 175.17 175.83 1pbg s GLY 309 N 1.01 -0.09 1.03 2.12 0.00 -1.26 -5.07 107.32 105.06 1pbg s GLY 309 Ca 0.51 -0.01 -0.13 0.00 0.00 0.00 0.00 44.72 45.09 1pbg s GLY 309 CO 0.27 4.45 0.74 -1.84 0.00 0.00 0.00 173.10 176.71 1pbg n GLU 310 N -0.82 -1.12 -2.90 2.90 0.28 -1.26 -3.79 120.64 113.93 1pbg n GLU 310 Ca 0.01 -0.28 -0.41 0.00 -0.16 0.00 0.00 57.16 56.32 1pbg n GLU 310 Cb 0.59 -2.08 -0.04 0.00 1.43 0.00 0.00 31.44 31.34 1pbg n GLU 310 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1pbg s THR 311 N -2.45 4.88 -0.14 3.84 -4.23 -1.26 -4.29 115.64 111.99 1pbg s THR 311 Ca 0.63 1.61 -0.07 0.00 -1.18 0.00 0.00 61.69 62.68 1pbg s THR 311 Cb -0.21 -4.13 0.06 0.00 1.34 0.00 0.00 72.50 69.56 1pbg s THR 311 CO 0.64 0.02 0.33 -0.70 -0.54 0.00 0.00 174.62 174.37 1pbg s GLU 312 N 2.18 0.28 -0.12 3.99 2.12 -0.20 -4.97 118.70 121.97 1pbg s GLU 312 Ca 0.38 0.72 -0.02 0.00 0.36 0.00 0.00 54.97 56.40 1pbg s GLU 312 Cb -0.16 -0.02 0.04 0.00 0.26 0.00 0.00 34.13 34.24 1pbg s GLU 312 CO 0.12 -0.19 0.03 0.42 -0.54 0.00 0.00 175.26 175.10 1pbg s ILE 313 N 1.64 0.34 0.00 -3.70 1.09 -1.26 -0.81 121.20 118.50 1pbg s ILE 313 Ca -0.07 -0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.37 1pbg s ILE 313 Cb -0.10 -0.67 0.00 0.00 -1.06 0.00 0.00 42.46 40.63 1pbg s ILE 313 CO -0.11 0.05 0.00 2.30 -0.10 0.00 0.00 174.94 177.08 1pbg n ILE 314 N 5.14 0.00 -1.81 2.92 -5.35 -1.26 -4.99 119.36 114.02 1pbg n ILE 314 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1pbg n ILE 314 Cb 0.49 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 1pbg n ILE 314 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1pbg n LYS 325 N -2.14 -3.56 -3.68 6.28 4.81 -1.26 -5.65 118.16 112.95 1pbg n LYS 325 Ca 0.00 2.56 -0.17 0.00 -0.87 0.00 0.00 58.31 59.84 1pbg n LYS 325 Cb 0.10 -2.99 -0.16 0.00 0.02 0.00 0.00 35.03 31.99 1pbg n LYS 325 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1pbg s TYR 326 N -1.52 -0.14 -0.23 5.64 6.14 -1.25 -4.99 117.35 121.01 1pbg s TYR 326 Ca 0.00 0.53 -0.18 0.00 0.64 0.00 0.00 57.07 58.06 1pbg s TYR 326 Cb 0.00 -0.26 0.06 0.00 0.42 0.00 0.00 41.96 42.18 1pbg s TYR 326 CO 0.00 -0.24 0.58 1.14 0.64 0.00 0.00 175.55 177.67 1pbg s GLN 327 N 2.07 0.64 -0.06 4.97 -2.07 0.01 -1.31 119.66 123.91 1pbg s GLN 327 Ca 0.01 0.91 0.05 0.00 -1.82 0.00 0.00 55.36 54.51 1pbg s GLN 327 Cb -0.12 0.23 -0.01 0.00 -1.09 0.00 0.00 33.01 32.03 1pbg s GLN 327 CO -0.05 -0.11 -0.22 0.42 -1.32 0.00 0.00 175.29 174.00 1pbg s ILE 328 N 0.80 1.85 0.10 3.63 1.01 0.56 -1.03 121.20 128.12 1pbg s ILE 328 Ca -0.04 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 59.36 1pbg s ILE 328 Cb -0.05 -1.58 -0.09 0.00 0.01 0.00 0.00 42.46 40.74 1pbg s ILE 328 CO -0.06 0.52 1.76 -0.75 0.00 0.00 0.00 174.94 176.41 1pbg s LYS 329 N 0.05 4.16 0.00 2.79 2.20 -1.25 -1.28 119.74 126.41 1pbg s LYS 329 Ca -0.08 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 1pbg s LYS 329 Cb -0.14 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1pbg s LYS 329 CO 0.05 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.64 1pbg n GLY 330 N 4.15 2.40 0.43 5.54 0.00 -1.26 -4.71 105.19 111.73 1pbg n GLY 330 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1pbg n GLY 330 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pbg n VAL 331 N -2.00 0.64 -1.86 1.61 0.31 -0.40 -4.95 118.33 111.68 1pbg n VAL 331 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1pbg n VAL 331 Cb 0.00 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1pbg n VAL 331 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pbg n GLY 332 N 2.27 0.29 3.27 2.92 0.00 -0.45 -4.42 105.19 109.07 1pbg n GLY 332 Ca -0.04 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 1pbg n GLY 332 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pbg s ARG 333 N -2.00 1.09 -0.19 1.61 1.70 -0.22 -0.33 118.95 120.61 1pbg s ARG 333 Ca 0.00 -1.12 -0.24 0.00 -0.47 0.00 0.00 55.73 53.90 1pbg s ARG 333 Cb 0.00 -1.30 -0.01 0.00 -0.57 0.00 0.00 34.95 33.06 1pbg s ARG 333 CO 0.00 0.30 0.80 1.03 -1.08 0.00 0.00 175.30 176.35 1pbg s ARG 334 N -1.84 4.26 -0.05 3.89 0.52 -0.43 -0.53 118.95 124.78 1pbg s ARG 334 Ca 0.05 0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 56.17 1pbg s ARG 334 Cb -0.10 -3.59 0.04 0.00 0.52 0.00 0.00 34.95 31.82 1pbg s ARG 334 CO 0.04 -0.35 0.10 0.54 0.02 0.00 0.00 175.30 175.65 1pbg s VAL 335 N 2.24 -0.12 0.13 3.52 0.11 -0.55 -4.73 120.40 120.99 1pbg s VAL 335 Ca 0.36 0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 59.42 1pbg s VAL 335 Cb -0.16 -0.19 -0.06 0.00 -1.53 0.00 0.00 36.38 34.43 1pbg s VAL 335 CO 0.11 0.13 1.10 0.00 -3.33 0.00 0.00 175.10 173.11 1pbg s ALA 336 N 1.72 3.34 0.49 1.54 0.00 -1.26 -4.37 121.76 123.22 1pbg s ALA 336 Ca -0.02 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 1pbg s ALA 336 Cb -0.12 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1pbg s ALA 336 CO -0.04 -0.25 1.08 -2.30 0.00 0.00 0.00 175.76 174.25 1pbg n PRO 337 N 2.94 1.37 0.19 0.00 -0.02 -1.26 -4.91 135.00 133.32 1pbg n PRO 337 Ca 0.05 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 1pbg n PRO 337 Cb 0.47 -2.20 0.36 0.00 -0.02 0.00 0.00 33.50 32.11 1pbg n PRO 337 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1pbg h ASP 338 N 1.33 0.00 -0.24 2.55 3.32 -1.97 -3.29 116.42 118.12 1pbg h ASP 338 Ca -0.47 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.38 1pbg h ASP 338 Cb 1.33 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.67 1pbg h ASP 338 CO 0.56 0.38 -0.72 -1.22 -1.72 0.00 0.00 179.24 176.51 1pbg n TYR 339 N -3.74 0.84 -4.00 4.55 4.01 -1.26 -5.02 117.16 112.55 1pbg n TYR 339 Ca -0.01 -1.59 -0.35 0.00 -0.16 0.00 0.00 57.90 55.79 1pbg n TYR 339 Cb 0.47 -0.26 -0.08 0.00 -0.31 0.00 0.00 39.34 39.15 1pbg n TYR 339 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1pbg s VAL 340 N -3.14 4.99 0.03 -0.72 1.01 -1.24 -5.05 120.40 116.27 1pbg s VAL 340 Ca 0.40 0.03 -0.37 0.00 0.00 0.00 0.00 61.98 62.03 1pbg s VAL 340 Cb 0.38 -3.20 -0.16 0.00 0.00 0.00 0.00 36.38 33.39 1pbg s VAL 340 CO -0.05 0.53 1.41 -0.81 0.00 0.00 0.00 175.10 176.18 1pbg n PRO 341 N 2.83 1.19 -3.80 2.72 -0.04 -1.26 -4.93 135.00 131.71 1pbg n PRO 341 Ca -0.18 0.43 -0.06 0.00 -0.04 0.00 0.00 63.50 63.66 1pbg n PRO 341 Cb 0.53 -2.09 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 1pbg n PRO 341 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1pbg s ARG 342 N 1.00 1.50 0.00 0.54 1.70 -1.26 -1.39 118.95 121.03 1pbg s ARG 342 Ca 0.86 -0.82 0.00 0.00 -0.47 0.00 0.00 55.73 55.30 1pbg s ARG 342 Cb -0.96 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 33.94 1pbg s ARG 342 CO 0.49 -0.69 0.00 0.91 -1.08 0.00 0.00 175.30 174.94 1pbg n TRP 347 N -0.46 0.00 -4.39 5.89 8.01 -1.26 -5.65 117.44 119.58 1pbg n TRP 347 Ca -0.05 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.80 1pbg n TRP 347 Cb 0.60 0.00 -0.11 0.00 -2.01 0.00 0.00 31.31 29.79 1pbg n TRP 347 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1pbg s ILE 348 N 0.00 4.01 -0.32 -0.99 1.01 -1.26 -5.08 121.20 118.56 1pbg s ILE 348 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1pbg s ILE 348 Cb 0.00 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1pbg s ILE 348 CO 0.00 0.52 0.56 -0.63 0.00 0.00 0.00 174.94 175.39 1pbg s ILE 349 N 0.04 4.99 -0.41 2.92 1.01 -0.49 -4.65 121.20 124.62 1pbg s ILE 349 Ca 0.01 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.34 1pbg s ILE 349 Cb -0.13 -3.95 0.17 0.00 0.01 0.00 0.00 42.46 38.55 1pbg s ILE 349 CO 0.02 -0.13 0.39 -0.47 0.00 0.00 0.00 174.94 174.76 1pbg s TYR 350 N 2.47 0.30 0.47 3.97 5.04 -1.26 -4.55 117.35 123.79 1pbg s TYR 350 Ca 0.22 -1.63 0.21 0.00 -2.44 0.00 0.00 57.07 53.43 1pbg s TYR 350 Cb -0.15 -0.61 1.29 0.00 0.35 0.00 0.00 41.96 42.85 1pbg s TYR 350 CO 0.12 -0.93 2.08 -1.35 -1.34 0.00 0.00 175.55 174.13 1pbg h PRO 351 N 6.03 0.00 0.00 4.97 0.11 -1.94 -2.00 132.00 139.17 1pbg h PRO 351 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1pbg h PRO 351 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1pbg h PRO 351 CO 0.26 0.11 -0.05 0.93 -0.21 0.00 0.00 178.00 179.05 1pbg h GLU 352 N 0.00 0.00 -0.63 1.05 4.39 -1.94 -2.06 114.58 115.39 1pbg h GLU 352 Ca -0.00 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1pbg h GLU 352 Cb 0.24 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.82 1pbg h GLU 352 CO 0.01 0.05 0.28 0.78 -1.16 0.00 0.00 179.01 178.97 1pbg h GLY 353 N 0.24 0.91 0.93 -3.84 0.00 -1.79 -0.14 103.07 99.36 1pbg h GLY 353 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1pbg h GLY 353 CO 0.01 0.04 0.09 -2.00 0.00 0.00 0.00 176.54 174.68 1pbg h LEU 354 N 0.50 0.57 -0.68 3.11 5.85 -1.55 0.45 115.31 123.57 1pbg h LEU 354 Ca 0.31 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1pbg h LEU 354 Cb 0.32 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1pbg h LEU 354 CO -0.26 0.65 0.40 0.22 -0.34 0.00 0.00 178.44 179.11 1pbg h TYR 355 N 0.46 0.74 -0.43 1.25 5.03 -1.22 -0.88 116.97 121.92 1pbg h TYR 355 Ca 0.12 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.39 1pbg h TYR 355 Cb 0.30 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1pbg h TYR 355 CO 0.02 0.39 0.02 -0.44 -1.32 0.00 0.00 178.16 176.83 1pbg h ASP 356 N 0.76 0.73 -0.56 -2.11 3.32 -0.73 -2.11 116.42 115.72 1pbg h ASP 356 Ca 0.29 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1pbg h ASP 356 Cb 0.10 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1pbg h ASP 356 CO -0.14 0.85 0.18 -0.61 -1.72 0.00 0.00 179.24 177.79 1pbg h GLN 357 N 0.60 0.87 0.04 3.56 5.75 -0.54 -0.83 115.11 124.55 1pbg h GLN 357 Ca 0.13 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1pbg h GLN 357 Cb 0.46 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 1pbg h GLN 357 CO 0.02 0.78 -0.03 0.82 -2.65 0.00 0.00 178.83 177.77 1pbg h ILE 358 N 0.78 0.93 -0.23 2.39 2.04 -1.08 -1.93 117.51 120.42 1pbg h ILE 358 Ca 0.18 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 1pbg h ILE 358 Cb 0.27 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1pbg h ILE 358 CO -0.01 0.00 -0.02 0.24 0.00 0.00 0.00 178.15 178.36 1pbg h MET 359 N -0.07 0.34 -0.64 2.37 2.86 -1.28 -1.29 114.93 117.21 1pbg h MET 359 Ca -0.00 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1pbg h MET 359 Cb 0.07 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1pbg h MET 359 CO -0.00 0.39 0.18 -0.09 1.06 0.00 0.00 176.91 178.44 1pbg h ARG 360 N 0.33 1.01 -0.15 1.72 1.12 -0.64 0.45 114.38 118.21 1pbg h ARG 360 Ca 0.07 -0.23 -0.03 0.00 -1.11 0.00 0.00 59.98 58.69 1pbg h ARG 360 Cb 0.26 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 1pbg h ARG 360 CO 0.01 0.90 -0.01 0.28 -3.11 0.00 0.00 179.97 178.04 1pbg h VAL 361 N 0.94 1.26 -0.91 0.20 2.07 -0.88 0.48 116.25 119.41 1pbg h VAL 361 Ca 0.20 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1pbg h VAL 361 Cb 0.32 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1pbg h VAL 361 CO -0.00 0.26 0.56 0.50 0.02 0.00 0.00 177.57 178.91 1pbg h LYS 362 N 0.01 0.97 0.21 1.57 3.64 -0.98 0.12 116.57 122.11 1pbg h LYS 362 Ca 0.04 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 1pbg h LYS 362 Cb 0.39 -0.22 0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1pbg h LYS 362 CO 0.01 0.64 -1.26 -0.91 -2.27 0.00 0.00 179.45 175.66 1pbg h ASN 363 N 1.00 0.71 0.52 4.20 2.35 -0.77 -3.25 115.58 120.34 1pbg h ASN 363 Ca 0.41 -0.93 -0.26 0.00 -0.55 0.00 0.00 56.30 54.97 1pbg h ASN 363 Cb 0.25 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.39 1pbg h ASN 363 CO -0.20 1.61 -1.16 0.44 -1.65 0.00 0.00 177.43 176.47 1pbg h ASP 364 N -0.04 0.48 -2.42 5.81 5.19 -0.74 -3.39 116.42 121.30 1pbg h ASP 364 Ca -0.22 -0.47 -0.59 0.00 -0.62 0.00 0.00 57.03 55.13 1pbg h ASP 364 Cb 1.99 -0.15 -0.40 0.00 0.18 0.00 0.00 39.33 40.94 1pbg h ASP 364 CO 0.23 1.33 -0.81 -1.22 -3.12 0.00 0.00 179.24 175.65 1pbg n TYR 365 N -3.61 1.43 0.00 4.55 4.01 0.41 -4.96 117.16 118.99 1pbg n TYR 365 Ca -0.08 -3.84 0.00 0.00 -0.16 0.00 0.00 57.90 53.82 1pbg n TYR 365 Cb 0.97 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 1pbg n TYR 365 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1pbg n PRO 366 N 1.78 0.00 -0.70 -0.72 -0.04 -1.23 -1.18 135.00 132.91 1pbg n PRO 366 Ca 0.25 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 64.17 1pbg n PRO 366 Cb 0.44 -1.52 0.33 0.00 -0.04 0.00 0.00 33.50 32.72 1pbg n PRO 366 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1pbg n ASN 367 N -1.39 4.78 0.24 3.54 6.94 -1.26 -4.40 115.26 123.71 1pbg n ASN 367 Ca 0.00 -2.69 0.11 0.00 -0.02 0.00 0.00 54.58 51.97 1pbg n ASN 367 Cb 0.02 -0.63 0.62 0.00 -2.36 0.00 0.00 39.78 37.43 1pbg n ASN 367 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1pbg h TYR 368 N 3.35 0.00 0.00 -2.53 -0.00 -1.48 -3.47 116.97 112.84 1pbg h TYR 368 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1pbg h TYR 368 Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.37 1pbg h TYR 368 CO 0.86 0.17 0.00 1.63 -0.00 0.00 0.00 178.16 180.83 1pbg n LYS 369 N -3.68 0.00 -3.83 0.10 5.02 -1.26 -4.40 118.16 110.10 1pbg n LYS 369 Ca -0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 1pbg n LYS 369 Cb 0.29 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.20 1pbg n LYS 369 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1pbg s LYS 370 N 0.00 0.37 -0.03 1.97 2.20 -1.26 -4.77 119.74 118.22 1pbg s LYS 370 Ca 0.00 -0.06 0.06 0.00 -0.36 0.00 0.00 55.97 55.61 1pbg s LYS 370 Cb 0.00 0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 1pbg s LYS 370 CO 0.00 -0.08 -0.20 0.42 -0.36 0.00 0.00 175.35 175.13 1pbg s ILE 371 N -0.65 1.62 -0.09 5.43 1.01 0.44 -1.08 121.20 127.89 1pbg s ILE 371 Ca -0.07 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1pbg s ILE 371 Cb -0.04 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1pbg s ILE 371 CO 0.01 0.46 -0.15 -0.31 0.00 0.00 0.00 174.94 174.95 1pbg s TYR 372 N -0.32 1.85 -0.75 3.97 2.02 -0.29 -0.93 117.35 122.90 1pbg s TYR 372 Ca 0.04 -0.80 -0.26 0.00 -0.37 0.00 0.00 57.07 55.68 1pbg s TYR 372 Cb -0.09 -1.33 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 1pbg s TYR 372 CO 0.00 -0.40 1.26 0.42 -1.57 0.00 0.00 175.55 175.27 1pbg s ILE 373 N 0.81 3.79 -1.36 2.71 -1.09 -0.40 -0.81 121.20 124.85 1pbg s ILE 373 Ca -0.11 0.25 0.29 0.00 -2.23 0.00 0.00 60.65 58.86 1pbg s ILE 373 Cb -0.16 -4.91 0.43 0.00 -1.58 0.00 0.00 42.46 36.24 1pbg s ILE 373 CO 0.02 -1.83 1.96 0.35 -1.23 0.00 0.00 174.94 174.21 1pbg n THR 374 N 6.37 0.00 -3.64 2.92 -2.24 -0.36 0.31 114.28 117.64 1pbg n THR 374 Ca 0.04 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.76 1pbg n THR 374 Cb 0.49 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.26 1pbg n THR 374 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pbg s GLU 375 N -2.67 0.50 -0.29 -0.78 2.02 -1.20 -4.64 118.70 111.64 1pbg s GLU 375 Ca 0.25 0.82 -0.21 0.00 0.02 0.00 0.00 54.97 55.84 1pbg s GLU 375 Cb 0.20 0.13 0.15 0.00 0.10 0.00 0.00 34.13 34.70 1pbg s GLU 375 CO 0.49 -0.10 1.10 1.21 0.02 0.00 0.00 175.26 177.98 1pbg s ASN 376 N 1.26 -0.37 0.00 -0.19 3.04 -1.21 -0.89 114.94 116.57 1pbg s ASN 376 Ca -0.08 0.67 0.00 0.00 0.04 0.00 0.00 52.86 53.49 1pbg s ASN 376 Cb -0.04 0.87 0.00 0.00 -1.54 0.00 0.00 41.25 40.53 1pbg s ASN 376 CO -0.15 -0.11 0.00 0.61 -3.04 0.00 0.00 177.10 174.41 1pbg n GLY 377 N 2.65 0.26 3.03 1.21 0.00 -1.26 -0.86 105.19 110.22 1pbg n GLY 377 Ca -0.14 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1pbg n GLY 377 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pbg s LEU 378 N 0.00 1.68 -0.07 0.99 2.96 -1.26 -4.95 118.68 118.03 1pbg s LEU 378 Ca 0.00 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1pbg s LEU 378 Cb 0.00 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 1pbg s LEU 378 CO 0.00 -0.02 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.03 1pbg s GLY 379 N 1.25 1.51 0.21 7.98 0.00 -1.26 -4.49 107.32 112.53 1pbg s GLY 379 Ca -0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 44.72 43.66 1pbg s GLY 379 CO -0.06 -0.64 0.44 1.58 0.00 0.00 0.00 173.10 174.41 1pbg n TYR 380 N 2.60 -1.73 -2.83 1.90 4.11 -0.62 -4.81 117.16 115.77 1pbg n TYR 380 Ca -0.17 -1.02 -0.43 0.00 -0.00 0.00 0.00 57.90 56.28 1pbg n TYR 380 Cb 0.52 0.51 -0.04 0.00 -0.00 0.00 0.00 39.34 40.33 1pbg n TYR 380 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1pbg s LYS 381 N -2.05 3.21 0.31 -3.48 2.47 -1.26 -0.73 119.74 118.21 1pbg s LYS 381 Ca 0.09 -0.92 -0.29 0.00 -1.56 0.00 0.00 55.97 53.29 1pbg s LYS 381 Cb -0.03 -4.37 -0.10 0.00 -1.46 0.00 0.00 37.83 31.87 1pbg s LYS 381 CO 0.06 -1.86 1.41 -0.51 0.16 0.00 0.00 175.35 174.61 1pbg s ASP 382 N 3.74 6.61 -0.44 1.43 1.01 -1.26 -4.99 116.67 122.77 1pbg s ASP 382 Ca 0.26 2.79 -0.18 0.00 0.71 0.00 0.00 52.55 56.12 1pbg s ASP 382 Cb -0.14 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.18 1pbg s ASP 382 CO 0.07 -0.69 0.51 -0.70 0.21 0.00 0.00 175.17 174.57 1pbg s GLU 383 N -1.34 3.13 -0.52 8.23 2.12 -1.26 -5.02 118.70 124.05 1pbg s GLU 383 Ca 0.54 -0.73 -0.27 0.00 0.36 0.00 0.00 54.97 54.87 1pbg s GLU 383 Cb -0.43 -4.00 0.03 0.00 0.26 0.00 0.00 34.13 30.00 1pbg s GLU 383 CO 0.52 -0.96 1.07 0.12 -0.54 0.00 0.00 175.26 175.47 1pbg s PHE 384 N 2.35 2.77 -0.01 5.30 5.36 -1.26 -4.39 117.98 128.09 1pbg s PHE 384 Ca 0.14 0.43 -0.03 0.00 -0.96 0.00 0.00 56.93 56.52 1pbg s PHE 384 Cb -0.17 -4.30 0.00 0.00 -0.34 0.00 0.00 43.02 38.21 1pbg s PHE 384 CO 0.14 -1.34 0.06 0.14 -1.46 0.00 0.00 175.22 172.76 1pbg s VAL 385 N 4.37 0.03 -1.68 3.12 -7.23 -0.16 -4.83 120.40 114.02 1pbg s VAL 385 Ca 0.41 -0.24 -0.02 0.00 -1.81 0.00 0.00 61.98 60.32 1pbg s VAL 385 Cb -0.09 -0.17 0.00 0.00 0.56 0.00 0.00 36.38 36.68 1pbg s VAL 385 CO 0.27 -0.13 0.26 0.47 -0.31 0.00 0.00 175.10 175.66 1pbg n ASP 386 N 2.60 -5.98 -3.55 4.85 8.00 -1.26 -1.89 116.55 119.32 1pbg n ASP 386 Ca -0.16 -0.13 -0.25 0.00 0.71 0.00 0.00 54.79 54.96 1pbg n ASP 386 Cb 0.58 -4.91 0.06 0.00 -0.02 0.00 0.00 41.12 36.83 1pbg n ASP 386 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pbg n ASN 387 N -2.23 -6.04 -1.73 -2.24 3.02 -1.26 -4.94 115.26 99.84 1pbg n ASN 387 Ca -0.19 -0.53 -0.02 0.00 -0.03 0.00 0.00 54.58 53.81 1pbg n ASN 387 Cb 0.66 -4.79 0.01 0.00 -0.61 0.00 0.00 39.78 35.05 1pbg n ASN 387 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1pbg n THR 388 N -4.85 0.00 -3.92 3.41 5.66 -0.79 -4.75 114.28 109.04 1pbg n THR 388 Ca -0.01 -0.25 -0.17 0.00 -3.05 0.00 0.00 64.05 60.57 1pbg n THR 388 Cb 0.56 0.29 -0.16 0.00 -1.55 0.00 0.00 70.33 69.47 1pbg n THR 388 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1pbg s VAL 389 N -2.50 0.18 -1.26 1.08 1.01 -1.26 -0.99 120.40 116.66 1pbg s VAL 389 Ca 0.07 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 1pbg s VAL 389 Cb -0.01 -0.29 0.18 0.00 0.00 0.00 0.00 36.38 36.26 1pbg s VAL 389 CO 0.03 0.15 1.95 -1.22 0.00 0.00 0.00 175.10 176.01 1pbg n TYR 390 N 4.22 2.74 -2.03 5.22 4.01 -1.26 -0.87 117.16 129.19 1pbg n TYR 390 Ca -0.25 -2.76 -0.42 0.00 -0.16 0.00 0.00 57.90 54.31 1pbg n TYR 390 Cb 0.50 -1.80 0.00 0.00 -0.31 0.00 0.00 39.34 37.73 1pbg n TYR 390 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1pbg n ASP 391 N 2.86 4.29 0.16 7.72 5.75 -1.26 -4.70 116.55 131.36 1pbg n ASP 391 Ca 0.44 -2.89 0.01 0.00 -0.01 0.00 0.00 54.79 52.33 1pbg n ASP 391 Cb 0.33 -1.66 0.24 0.00 -1.03 0.00 0.00 41.12 39.00 1pbg n ASP 391 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1pbg h ASP 392 N 6.36 0.00 -0.61 -1.12 3.32 -2.00 -2.83 116.42 119.53 1pbg h ASP 392 Ca 0.52 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.50 1pbg h ASP 392 Cb 0.70 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1pbg h ASP 392 CO 1.74 0.52 0.12 1.23 -1.72 0.00 0.00 179.24 181.13 1pbg h GLY 393 N 1.72 1.08 1.29 2.75 0.00 -2.00 -1.78 103.07 106.14 1pbg h GLY 393 Ca -0.01 -0.70 -0.17 0.00 0.00 0.00 0.00 47.33 46.45 1pbg h GLY 393 CO 0.07 0.65 -0.50 -0.09 0.00 0.00 0.00 176.54 176.67 1pbg h ARG 394 N 0.92 0.75 -0.70 4.80 2.43 -1.90 -2.36 114.38 118.32 1pbg h ARG 394 Ca 0.19 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1pbg h ARG 394 Cb 0.40 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1pbg h ARG 394 CO 0.01 1.07 0.40 0.82 -1.51 0.00 0.00 179.97 180.76 1pbg h ILE 395 N 0.59 1.21 -0.25 1.20 2.04 -1.38 -1.75 117.51 119.16 1pbg h ILE 395 Ca 0.02 -0.50 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 1pbg h ILE 395 Cb 1.07 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1pbg h ILE 395 CO 0.11 0.22 -0.41 -0.78 0.00 0.00 0.00 178.15 177.29 1pbg h ASP 396 N 0.95 0.64 0.01 1.72 3.58 -1.25 -0.22 116.42 121.85 1pbg h ASP 396 Ca 0.25 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1pbg h ASP 396 Cb 0.01 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1pbg h ASP 396 CO -0.04 0.97 -0.00 0.22 -2.88 0.00 0.00 179.24 177.51 1pbg h TYR 397 N 0.49 -0.01 -0.24 0.28 5.03 -1.18 -1.71 116.97 119.63 1pbg h TYR 397 Ca 0.04 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 1pbg h TYR 397 Cb 0.92 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 1pbg h TYR 397 CO 0.04 0.31 0.11 0.28 -1.32 0.00 0.00 178.16 177.58 1pbg h VAL 398 N -0.33 1.15 -0.36 1.81 2.07 -1.30 -2.42 116.25 116.86 1pbg h VAL 398 Ca -0.00 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1pbg h VAL 398 Cb 0.32 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1pbg h VAL 398 CO 0.00 0.15 0.04 0.50 0.02 0.00 0.00 177.57 178.28 1pbg h LYS 399 N 0.25 0.15 -0.35 1.57 3.64 -1.00 0.11 116.57 120.93 1pbg h LYS 399 Ca 0.08 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1pbg h LYS 399 Cb 0.14 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1pbg h LYS 399 CO -0.01 0.10 0.23 1.96 -2.27 0.00 0.00 179.45 179.46 1pbg h GLN 400 N 0.15 0.40 0.09 1.90 4.20 -1.17 -0.80 115.11 119.89 1pbg h GLN 400 Ca 0.18 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.61 1pbg h GLN 400 Cb 0.22 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1pbg h GLN 400 CO -0.26 0.27 -1.15 0.45 -0.67 0.00 0.00 178.83 177.47 1pbg h HIS 401 N 0.42 0.36 0.00 2.96 3.86 -0.75 -3.18 115.15 118.81 1pbg h HIS 401 Ca 0.14 -0.26 -0.08 0.00 -1.16 0.00 0.00 60.37 59.01 1pbg h HIS 401 Cb 0.03 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1pbg h HIS 401 CO -0.00 1.19 -0.38 -0.07 0.86 0.00 0.00 177.93 179.53 1pbg h LEU 402 N 0.06 0.00 -0.42 2.43 3.38 -0.09 -2.74 115.31 117.93 1pbg h LEU 402 Ca -0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1pbg h LEU 402 Cb 1.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 1pbg h LEU 402 CO 0.18 0.38 -0.17 -0.33 0.09 0.00 0.00 178.44 178.59 1pbg h GLU 403 N 0.00 0.85 -0.13 1.13 5.08 -1.19 -1.95 114.58 118.38 1pbg h GLU 403 Ca -0.00 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 57.91 1pbg h GLU 403 Cb 0.74 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1pbg h GLU 403 CO 0.05 1.00 -0.30 -0.39 -1.00 0.00 0.00 179.01 178.37 1pbg h VAL 404 N 0.67 1.26 -0.69 3.13 -1.51 -1.50 -2.51 116.25 115.11 1pbg h VAL 404 Ca 0.10 -1.23 -0.02 0.00 -1.23 0.00 0.00 66.70 64.32 1pbg h VAL 404 Cb 0.72 1.49 -0.03 0.00 -2.13 0.00 0.00 31.29 31.34 1pbg h VAL 404 CO 0.05 0.37 0.34 -0.07 -1.23 0.00 0.00 177.57 177.03 1pbg h LEU 405 N 0.21 0.89 -0.69 4.19 3.38 -1.17 0.19 115.31 122.31 1pbg h LEU 405 Ca 0.03 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1pbg h LEU 405 Cb 0.64 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1pbg h LEU 405 CO 0.05 0.77 0.46 -1.28 0.09 0.00 0.00 178.44 178.53 1pbg h SER 406 N 0.95 0.79 -0.30 -0.43 0.87 -1.05 -0.93 113.55 113.46 1pbg h SER 406 Ca 0.24 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 1pbg h SER 406 Cb 0.11 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1pbg h SER 406 CO -0.03 0.58 -0.27 0.44 -0.53 0.00 0.00 176.83 177.01 1pbg h ASP 407 N 0.94 0.83 -0.59 6.23 3.32 -0.98 -1.01 116.42 125.15 1pbg h ASP 407 Ca 0.25 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 1pbg h ASP 407 Cb -0.11 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 1pbg h ASP 407 CO -0.05 1.05 -0.01 0.00 -1.72 0.00 0.00 179.24 178.51 1pbg h ALA 408 N 1.00 0.80 -0.23 3.45 0.00 -0.36 -1.09 119.26 122.83 1pbg h ALA 408 Ca 0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1pbg h ALA 408 Cb 0.80 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1pbg h ALA 408 CO 0.07 0.64 0.01 0.82 0.00 0.00 0.00 179.25 180.79 1pbg h ILE 409 N 0.94 1.25 -0.45 0.00 2.04 -1.01 -0.76 117.51 119.51 1pbg h ILE 409 Ca 0.17 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.21 1pbg h ILE 409 Cb 0.56 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1pbg h ILE 409 CO 0.03 0.27 0.30 0.00 0.00 0.00 0.00 178.15 178.76 1pbg h ALA 410 N 0.81 1.87 -0.05 1.87 0.00 -1.04 -0.91 119.26 121.81 1pbg h ALA 410 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pbg h ALA 410 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pbg h ALA 410 CO 0.01 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 1pbg n ASP 411 N -4.48 0.53 0.00 0.00 8.00 -0.43 -4.90 116.55 115.28 1pbg n ASP 411 Ca 0.05 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.07 1pbg n ASP 411 Cb 0.20 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1pbg n ASP 411 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pbg n GLY 412 N 0.91 0.83 3.79 0.44 0.00 -0.35 -5.05 105.19 105.77 1pbg n GLY 412 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1pbg n GLY 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pbg s ALA 413 N -2.00 3.51 -1.25 4.61 0.00 -0.33 -4.99 121.76 121.32 1pbg s ALA 413 Ca 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 1pbg s ALA 413 Cb 0.00 -2.80 0.16 0.00 0.00 0.00 0.00 23.12 20.48 1pbg s ALA 413 CO 0.00 0.35 1.64 -1.71 0.00 0.00 0.00 175.76 176.03 1pbg n ASN 414 N 1.59 5.12 -4.71 0.00 5.15 -1.26 -4.11 115.26 117.04 1pbg n ASN 414 Ca -0.08 -3.02 -0.36 0.00 -0.60 0.00 0.00 54.58 50.53 1pbg n ASN 414 Cb 0.50 -1.55 -0.08 0.00 -0.53 0.00 0.00 39.78 38.11 1pbg n ASN 414 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1pbg s VAL 415 N 1.37 5.36 -0.43 3.44 1.01 -1.26 -0.42 120.40 129.47 1pbg s VAL 415 Ca 0.43 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.74 1pbg s VAL 415 Cb 0.03 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1pbg s VAL 415 CO 0.01 0.39 0.66 0.29 0.00 0.00 0.00 175.10 176.44 1pbg n LYS 416 N 3.80 -0.18 -3.61 2.72 4.76 -0.11 -4.95 118.16 120.59 1pbg n LYS 416 Ca -0.14 -0.80 -0.02 0.00 -2.87 0.00 0.00 58.31 54.47 1pbg n LYS 416 Cb 0.52 -1.07 -0.01 0.00 -1.84 0.00 0.00 35.03 32.63 1pbg n LYS 416 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1pbg s GLY 417 N -0.36 -0.35 -0.07 0.72 0.00 -1.26 -1.98 107.32 104.02 1pbg s GLY 417 Ca 0.04 1.11 -0.03 0.00 0.00 0.00 0.00 44.72 45.84 1pbg s GLY 417 CO 0.05 0.32 0.14 -0.47 0.00 0.00 0.00 173.10 173.13 1pbg s TYR 418 N -2.50 -0.15 -0.22 1.90 6.14 -0.61 -1.28 117.35 120.64 1pbg s TYR 418 Ca 0.11 0.48 -0.01 0.00 0.64 0.00 0.00 57.07 58.30 1pbg s TYR 418 Cb 0.02 -0.13 0.02 0.00 0.42 0.00 0.00 41.96 42.28 1pbg s TYR 418 CO -0.04 -0.18 -0.11 -0.06 0.64 0.00 0.00 175.55 175.80 1pbg s PHE 419 N 1.39 2.97 0.07 4.97 0.40 0.15 -0.71 117.98 127.22 1pbg s PHE 419 Ca -0.07 -1.57 -0.30 0.00 -0.60 0.00 0.00 56.93 54.40 1pbg s PHE 419 Cb -0.12 -2.01 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 1pbg s PHE 419 CO -0.06 -0.74 0.99 -1.50 0.70 0.00 0.00 175.22 174.61 1pbg s ILE 420 N 1.31 4.58 -0.30 0.64 2.07 -0.99 -3.28 121.20 125.24 1pbg s ILE 420 Ca 0.02 2.00 -0.17 0.00 -1.41 0.00 0.00 60.65 61.09 1pbg s ILE 420 Cb -0.15 -4.28 -0.02 0.00 0.13 0.00 0.00 42.46 38.14 1pbg s ILE 420 CO -0.07 0.24 0.46 0.86 -1.91 0.00 0.00 174.94 174.51 1pbg s TRP 421 N 0.46 3.22 0.44 3.50 -0.11 -0.04 -0.32 118.94 126.09 1pbg s TRP 421 Ca 0.50 0.34 0.03 0.00 1.22 0.00 0.00 56.10 58.19 1pbg s TRP 421 Cb -0.23 -2.75 -0.03 0.00 -1.50 0.00 0.00 33.47 28.96 1pbg s TRP 421 CO 0.29 -0.37 0.06 -1.54 -4.62 0.00 0.00 176.95 170.77 1pbg s SER 422 N 1.67 3.39 -0.01 5.86 1.04 -1.15 -4.27 113.70 120.24 1pbg s SER 422 Ca 0.18 -1.60 -0.23 0.00 0.48 0.00 0.00 55.95 54.78 1pbg s SER 422 Cb -0.16 0.34 -0.15 0.00 0.10 0.00 0.00 66.02 66.16 1pbg s SER 422 CO 0.11 -0.81 1.04 0.25 0.98 0.00 0.00 173.24 174.82 1pbg h LEU 423 N 1.65 -0.39 -9.52 2.42 5.85 -1.32 -3.07 115.31 110.93 1pbg h LEU 423 Ca -0.40 -0.16 -0.59 0.00 0.84 0.00 0.00 57.88 57.57 1pbg h LEU 423 Cb 1.28 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.28 1pbg h LEU 423 CO 0.68 0.03 -0.61 0.00 -0.34 0.00 0.00 178.44 178.20 1pbg s MET 424 N -4.18 1.86 0.16 1.25 0.23 -1.26 -1.36 119.30 116.00 1pbg s MET 424 Ca -0.13 -2.04 -0.31 0.00 -1.03 0.00 0.00 55.69 52.18 1pbg s MET 424 Cb 0.01 -1.44 -0.09 0.00 -1.53 0.00 0.00 34.83 31.78 1pbg s MET 424 CO 0.47 -0.07 1.46 -0.51 -2.03 0.00 0.00 175.02 174.34 1pbg s ASP 425 N -3.64 6.71 0.42 -1.18 1.01 -0.31 -4.15 116.67 115.55 1pbg s ASP 425 Ca 0.35 2.49 0.05 0.00 0.71 0.00 0.00 52.55 56.15 1pbg s ASP 425 Cb 0.09 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 1pbg s ASP 425 CO 0.17 -0.72 0.03 0.68 0.21 0.00 0.00 175.17 175.54 1pbg s VAL 426 N 0.90 1.52 0.12 -1.27 -7.23 -1.26 -4.73 120.40 108.45 1pbg s VAL 426 Ca 0.65 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 1pbg s VAL 426 Cb -0.40 -2.68 -0.06 0.00 0.56 0.00 0.00 36.38 33.79 1pbg s VAL 426 CO 0.33 0.00 1.02 0.12 -0.31 0.00 0.00 175.10 176.26 1pbg s PHE 427 N -2.89 3.72 -0.10 2.82 5.36 -0.83 -4.88 117.98 121.18 1pbg s PHE 427 Ca 0.26 1.70 -0.03 0.00 -0.96 0.00 0.00 56.93 57.91 1pbg s PHE 427 Cb 0.07 -3.15 -0.03 0.00 -0.34 0.00 0.00 43.02 39.57 1pbg s PHE 427 CO 0.13 -0.14 0.00 0.45 -1.46 0.00 0.00 175.22 174.20 1pbg s SER 428 N 0.07 5.23 0.22 6.13 0.15 -0.54 -4.73 113.70 120.23 1pbg s SER 428 Ca 0.49 0.11 0.06 0.00 0.70 0.00 0.00 55.95 57.30 1pbg s SER 428 Cb -0.25 -1.55 0.18 0.00 -1.71 0.00 0.00 66.02 62.69 1pbg s SER 428 CO 0.31 0.34 1.51 -0.50 1.20 0.00 0.00 173.24 176.10 1pbg h TRP 429 N 5.46 0.21 0.09 3.44 4.06 -1.98 0.89 115.95 128.12 1pbg h TRP 429 Ca -0.47 -0.09 -0.29 0.00 2.06 0.00 0.00 58.89 60.09 1pbg h TRP 429 Cb 1.19 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 29.30 1pbg h TRP 429 CO 0.62 0.80 -1.47 0.77 -3.56 0.00 0.00 178.44 175.59 1pbg h SER 430 N 0.10 0.29 0.00 -3.49 0.02 -2.03 -3.39 113.55 105.06 1pbg h SER 430 Ca -0.02 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1pbg h SER 430 Cb 1.24 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1pbg h SER 430 CO 0.10 1.33 -0.08 0.59 -1.14 0.00 0.00 176.83 177.64 1pbg n ASN 431 N -3.39 1.97 0.00 3.07 4.13 -1.24 -5.10 115.26 114.71 1pbg n ASN 431 Ca -0.14 -2.89 0.00 0.00 1.68 0.00 0.00 54.58 53.23 1pbg n ASN 431 Cb 1.03 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 1pbg n ASN 431 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pbg n GLY 432 N -1.19 2.82 0.55 7.41 0.00 0.31 -1.85 105.19 113.23 1pbg n GLY 432 Ca 0.13 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1pbg n GLY 432 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pbg n TYR 433 N 14.00 0.03 -0.02 1.61 4.02 -1.26 -1.46 117.16 134.07 1pbg n TYR 433 Ca 0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.90 57.75 1pbg n TYR 433 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 1pbg n TYR 433 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1pbg h GLU 434 N 2.65 0.02 -6.46 -0.72 4.39 -1.75 -3.42 114.58 109.29 1pbg h GLU 434 Ca 0.00 -0.01 -0.57 0.00 0.34 0.00 0.00 59.36 59.11 1pbg h GLU 434 Cb 0.57 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.14 1pbg h GLU 434 CO 0.00 0.56 0.82 0.21 -1.16 0.00 0.00 179.01 179.45 1pbg s LYS 435 N -4.02 3.81 -0.06 2.33 2.20 -1.25 -4.21 119.74 118.53 1pbg s LYS 435 Ca -0.16 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 1pbg s LYS 435 Cb 0.01 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 1pbg s LYS 435 CO 0.68 -1.18 -0.04 1.03 -0.36 0.00 0.00 175.35 175.48 1pbg s ARG 436 N 4.04 2.80 0.00 4.03 0.52 0.10 -4.78 118.95 125.65 1pbg s ARG 436 Ca 0.45 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1pbg s ARG 436 Cb -0.09 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1pbg s ARG 436 CO 0.25 0.67 0.00 0.66 0.02 0.00 0.00 175.30 176.90 1pbg n TYR 437 N 2.09 0.00 -0.72 -0.53 4.02 -1.26 -1.60 117.16 119.17 1pbg n TYR 437 Ca -0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.40 1pbg n TYR 437 Cb 0.53 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 40.02 1pbg n TYR 437 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1pbg s GLY 438 N -0.89 1.69 0.26 2.72 0.00 -1.26 -2.92 107.32 106.92 1pbg s GLY 438 Ca 0.00 0.57 0.23 0.00 0.00 0.00 0.00 44.72 45.51 1pbg s GLY 438 CO 0.00 0.99 1.22 1.41 0.00 0.00 0.00 173.10 176.72 1pbg h LEU 439 N -1.86 0.00 -8.01 0.66 3.38 -1.11 -3.44 115.31 104.92 1pbg h LEU 439 Ca -0.43 -0.02 -0.61 0.00 0.09 0.00 0.00 57.88 56.91 1pbg h LEU 439 Cb 1.27 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.67 1pbg h LEU 439 CO 0.42 0.01 -0.84 -0.36 0.09 0.00 0.00 178.44 177.76 1pbg s PHE 440 N -3.31 2.16 0.19 1.13 0.08 -0.97 -1.39 117.98 115.86 1pbg s PHE 440 Ca 0.02 -1.08 -0.30 0.00 0.12 0.00 0.00 56.93 55.69 1pbg s PHE 440 Cb 0.09 -1.54 -0.08 0.00 -0.57 0.00 0.00 43.02 40.92 1pbg s PHE 440 CO 0.75 -0.55 1.08 -0.47 -0.10 0.00 0.00 175.22 175.92 1pbg s TYR 441 N 1.08 3.64 -0.23 0.36 6.14 0.12 -1.16 117.35 127.32 1pbg s TYR 441 Ca -0.04 1.65 -0.02 0.00 0.64 0.00 0.00 57.07 59.31 1pbg s TYR 441 Cb -0.14 -3.23 0.02 0.00 0.42 0.00 0.00 41.96 39.02 1pbg s TYR 441 CO -0.04 -0.45 -0.09 0.08 0.64 0.00 0.00 175.55 175.69 1pbg s VAL 442 N -0.37 2.81 -0.73 3.14 1.01 -1.26 -0.76 120.40 124.24 1pbg s VAL 442 Ca 0.48 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1pbg s VAL 442 Cb -0.29 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1pbg s VAL 442 CO 0.35 0.33 1.37 -0.62 0.00 0.00 0.00 175.10 176.52 1pbg s ASP 443 N 1.35 6.04 0.54 3.32 -1.08 -0.52 -4.86 116.67 121.47 1pbg s ASP 443 Ca 0.03 -0.37 0.28 0.00 -0.52 0.00 0.00 52.55 51.97 1pbg s ASP 443 Cb -0.15 -2.56 1.55 0.00 -1.46 0.00 0.00 42.92 40.30 1pbg s ASP 443 CO -0.06 -1.91 1.85 -0.26 0.52 0.00 0.00 175.17 175.31 1pbg h PHE 444 N 10.70 0.00 0.25 -5.34 0.04 -1.92 0.47 116.94 121.14 1pbg h PHE 444 Ca -0.27 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.16 1pbg h PHE 444 Cb 1.06 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.25 1pbg h PHE 444 CO 1.12 0.00 -1.54 -0.44 -0.60 0.00 0.00 178.31 176.85 1pbg h ASP 445 N 0.00 0.81 -0.00 2.17 3.32 -1.97 -3.36 116.42 117.40 1pbg h ASP 445 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 1pbg h ASP 445 Cb 0.40 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1pbg h ASP 445 CO 0.00 1.73 -0.70 0.35 -1.72 0.00 0.00 179.24 178.91 1pbg n THR 446 N -3.70 0.00 -1.45 0.35 -2.24 -0.90 -4.98 114.28 101.36 1pbg n THR 446 Ca -0.19 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 1pbg n THR 446 Cb 1.10 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 70.33 1pbg n THR 446 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pbg n GLN 447 N -1.01 -1.26 -2.78 -0.78 1.13 0.16 -4.97 117.38 107.87 1pbg n GLN 447 Ca 0.05 1.04 -0.41 0.00 -1.94 0.00 0.00 57.00 55.74 1pbg n GLN 447 Cb 0.31 -5.28 -0.04 0.00 0.11 0.00 0.00 30.24 25.34 1pbg n GLN 447 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1pbg s GLU 448 N -3.29 4.62 0.18 -1.09 0.41 -1.23 -4.81 118.70 113.49 1pbg s GLU 448 Ca 0.00 1.35 -0.07 0.00 -0.41 0.00 0.00 54.97 55.84 1pbg s GLU 448 Cb 0.00 -3.40 -0.06 0.00 -1.78 0.00 0.00 34.13 28.89 1pbg s GLU 448 CO 0.00 0.16 0.45 1.03 -0.49 0.00 0.00 175.26 176.41 1pbg s ARG 449 N 0.26 3.70 -0.09 1.61 3.00 -1.26 -1.44 118.95 124.72 1pbg s ARG 449 Ca 0.46 0.07 -0.04 0.00 0.00 0.00 0.00 55.73 56.22 1pbg s ARG 449 Cb -0.22 -2.76 0.05 0.00 0.00 0.00 0.00 34.95 32.02 1pbg s ARG 449 CO 0.28 0.40 0.18 0.71 0.00 0.00 0.00 175.30 176.87 1pbg s TYR 450 N -1.73 -0.23 0.38 -0.53 1.51 0.07 -4.96 117.35 111.86 1pbg s TYR 450 Ca 0.44 0.68 -0.27 0.00 -1.01 0.00 0.00 57.07 56.91 1pbg s TYR 450 Cb -0.12 -0.21 -0.09 0.00 -0.11 0.00 0.00 41.96 41.43 1pbg s TYR 450 CO 0.23 -0.28 1.32 -1.25 -1.11 0.00 0.00 175.55 174.46 1pbg s PRO 451 N 2.28 4.08 0.65 -1.71 0.04 -1.26 0.16 135.00 139.23 1pbg s PRO 451 Ca 0.02 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1pbg s PRO 451 Cb -0.12 -2.85 0.13 0.00 0.04 0.00 0.00 34.50 31.69 1pbg s PRO 451 CO -0.06 -0.42 0.89 1.63 0.04 0.00 0.00 177.00 179.08 1pbg n LYS 452 N 0.33 0.00 -0.14 4.56 5.02 -0.49 -4.47 118.16 122.98 1pbg n LYS 452 Ca 0.02 -2.46 -0.04 0.00 -2.02 0.00 0.00 58.31 53.81 1pbg n LYS 452 Cb 0.43 -0.57 0.16 0.00 -0.02 0.00 0.00 35.03 35.02 1pbg n LYS 452 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pbg h LYS 453 N 0.00 0.86 -0.51 1.97 3.64 -1.31 -2.58 116.57 118.64 1pbg h LYS 453 Ca -0.29 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1pbg h LYS 453 Cb 1.10 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1pbg h LYS 453 CO 0.32 0.80 0.32 0.66 -2.27 0.00 0.00 179.45 179.28 1pbg h SER 454 N 0.82 0.60 -0.10 4.20 4.64 -1.81 -1.94 113.55 119.95 1pbg h SER 454 Ca 0.17 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1pbg h SER 454 Cb 0.37 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1pbg h SER 454 CO 0.01 0.45 -0.04 0.00 -0.87 0.00 0.00 176.83 176.38 1pbg h ALA 455 N 1.66 1.52 -0.09 5.18 0.00 -1.60 0.42 119.26 126.35 1pbg h ALA 455 Ca 0.19 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1pbg h ALA 455 Cb -0.05 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pbg h ALA 455 CO -0.04 0.35 -0.89 0.45 0.00 0.00 0.00 179.25 179.12 1pbg h HIS 456 N 0.33 1.04 -0.57 0.00 -0.00 -1.40 -2.53 115.15 112.03 1pbg h HIS 456 Ca 0.07 -0.50 -0.11 0.00 -0.00 0.00 0.00 60.37 59.83 1pbg h HIS 456 Cb 0.29 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1pbg h HIS 456 CO 0.01 1.34 -0.07 2.35 -0.00 0.00 0.00 177.93 181.55 1pbg h TRP 457 N 0.47 1.17 0.00 2.45 7.01 -0.76 -2.64 115.95 123.65 1pbg h TRP 457 Ca -0.08 -0.23 -0.07 0.00 2.11 0.00 0.00 58.89 60.62 1pbg h TRP 457 Cb 1.52 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 28.28 1pbg h TRP 457 CO 0.09 1.06 -0.31 -0.92 -2.79 0.00 0.00 178.44 175.57 1pbg h TYR 458 N 0.95 0.00 -0.20 2.65 3.20 -0.17 -2.03 116.97 121.37 1pbg h TYR 458 Ca 0.15 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1pbg h TYR 458 Cb 0.64 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1pbg h TYR 458 CO 0.04 0.31 -0.06 -0.22 -1.64 0.00 0.00 178.16 176.59 1pbg h LYS 459 N 0.00 0.39 -0.79 1.82 3.64 -1.12 -0.49 116.57 120.02 1pbg h LYS 459 Ca -0.00 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1pbg h LYS 459 Cb 0.57 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1pbg h LYS 459 CO 0.04 0.66 0.34 -0.22 -2.27 0.00 0.00 179.45 178.00 1pbg h LYS 460 N 0.10 1.17 0.01 1.90 3.11 -1.24 -2.58 116.57 119.05 1pbg h LYS 460 Ca 0.05 -0.20 -0.00 0.00 -2.81 0.00 0.00 60.65 57.69 1pbg h LYS 460 Cb 0.52 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 1pbg h LYS 460 CO 0.02 0.94 -0.00 1.25 -2.81 0.00 0.00 179.45 178.84 1pbg h LEU 461 N 1.14 -0.01 -0.55 5.20 5.85 -1.18 -2.37 115.31 123.39 1pbg h LEU 461 Ca 0.27 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1pbg h LEU 461 Cb 0.19 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1pbg h LEU 461 CO -0.03 0.13 0.29 0.00 -0.34 0.00 0.00 178.44 178.49 1pbg h ALA 462 N 0.84 0.71 -0.07 1.25 0.00 -0.91 1.24 119.26 122.32 1pbg h ALA 462 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pbg h ALA 462 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pbg h ALA 462 CO 0.00 -0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.59 1pbg n GLU 463 N -4.86 1.38 0.00 0.00 1.02 -0.99 -3.83 120.64 113.36 1pbg n GLU 463 Ca 0.05 -0.56 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 1pbg n GLU 463 Cb 0.14 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1pbg n GLU 463 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1pbg n THR 464 N -0.24 0.00 -3.23 2.62 -1.04 -0.90 -5.03 114.28 106.46 1pbg n THR 464 Ca 0.16 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.96 1pbg n THR 464 Cb 0.21 -0.23 -0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1pbg n THR 464 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pbg n GLN 465 N -0.96 -3.28 -4.29 -2.82 0.00 0.42 -4.93 117.38 101.53 1pbg n GLN 465 Ca 0.00 0.49 -0.33 0.00 0.00 0.00 0.00 57.00 57.16 1pbg n GLN 465 Cb 0.14 -5.18 -0.16 0.00 0.00 0.00 0.00 30.24 25.04 1pbg n GLN 465 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1pbg s VAL 466 N -2.88 2.10 -0.80 -0.39 1.01 -1.26 -0.87 120.40 117.31 1pbg s VAL 466 Ca 0.34 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 1pbg s VAL 466 Cb -0.18 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.39 1pbg s VAL 466 CO 0.42 0.54 1.21 -0.63 0.00 0.00 0.00 175.10 176.64 1pbg s ILE 467 N 1.14 4.04 0.00 2.22 1.01 -0.56 -4.70 121.20 124.35 1pbg s ILE 467 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1pbg s ILE 467 Cb -0.14 -4.87 0.00 0.00 0.01 0.00 0.00 42.46 37.46 1pbg s ILE 467 CO -0.09 -1.73 0.25 -0.62 0.00 0.00 0.00 174.94 172.75