#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pbg s THR 2 N 0.00 3.39 0.35 1.12 -4.23 -1.26 -5.10 115.64 109.92 3pbg s THR 2 Ca 0.00 -0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 59.80 3pbg s THR 2 Cb 0.00 -3.26 -0.08 0.00 1.34 0.00 0.00 72.50 70.50 3pbg s THR 2 CO 0.00 -0.18 0.76 -0.54 -0.54 0.00 0.00 174.62 174.12 3pbg s LYS 3 N -4.65 3.95 0.14 3.99 3.01 -1.26 -4.97 119.74 119.95 3pbg s LYS 3 Ca 0.52 0.64 0.04 0.00 -1.01 0.00 0.00 55.97 56.16 3pbg s LYS 3 Cb -0.10 -2.40 -0.04 0.00 -1.01 0.00 0.00 37.83 34.27 3pbg s LYS 3 CO 0.38 0.08 -0.09 0.95 0.51 0.00 0.00 175.35 177.18 3pbg s THR 4 N -2.12 1.08 0.21 2.17 -4.23 -1.26 -1.23 115.64 110.26 3pbg s THR 4 Ca 0.54 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 59.12 3pbg s THR 4 Cb -0.10 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.86 3pbg s THR 4 CO 0.21 -0.76 -0.21 -0.76 -0.54 0.00 0.00 174.62 172.57 3pbg s LEU 5 N -3.15 2.56 0.39 4.79 1.43 -0.83 -4.78 118.68 119.08 3pbg s LEU 5 Ca 0.16 -0.86 -0.25 0.00 -1.03 0.00 0.00 54.13 52.14 3pbg s LEU 5 Cb 0.03 -1.23 -0.11 0.00 0.03 0.00 0.00 46.19 44.91 3pbg s LEU 5 CO -0.00 0.10 1.05 -0.81 0.23 0.00 0.00 176.35 176.91 3pbg n PRO 6 N -0.00 1.46 0.12 1.29 -0.04 -1.26 -4.85 135.00 131.72 3pbg n PRO 6 Ca -0.10 0.52 0.19 0.00 -0.04 0.00 0.00 63.50 64.06 3pbg n PRO 6 Cb 0.57 -2.05 0.77 0.00 -0.04 0.00 0.00 33.50 32.75 3pbg n PRO 6 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3pbg h LYS 7 N 1.75 0.00 -0.59 0.54 3.64 -1.98 -2.08 116.57 117.85 3pbg h LYS 7 Ca -0.44 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.77 3pbg h LYS 7 Cb 1.33 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.05 3pbg h LYS 7 CO 0.58 0.00 0.17 -0.40 -2.27 0.00 0.00 179.45 177.53 3pbg n ASP 8 N -3.89 4.31 -4.79 4.20 5.75 -1.26 -5.02 116.55 115.85 3pbg n ASP 8 Ca 0.05 -3.27 -0.35 0.00 -0.01 0.00 0.00 54.79 51.22 3pbg n ASP 8 Cb 0.49 -0.69 -0.02 0.00 -1.03 0.00 0.00 41.12 39.87 3pbg n ASP 8 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3pbg s PHE 9 N -3.01 2.87 -0.33 2.11 5.36 -0.78 -4.97 117.98 119.23 3pbg s PHE 9 Ca 0.51 1.56 -0.18 0.00 -0.96 0.00 0.00 56.93 57.87 3pbg s PHE 9 Cb 0.42 -3.18 -0.01 0.00 -0.34 0.00 0.00 43.02 39.90 3pbg s PHE 9 CO 0.11 -1.17 0.49 0.42 -1.46 0.00 0.00 175.22 173.61 3pbg s ILE 10 N -1.85 5.05 -0.73 3.12 1.01 -1.03 -4.99 121.20 121.78 3pbg s ILE 10 Ca 0.69 0.44 -0.11 0.00 0.00 0.00 0.00 60.65 61.67 3pbg s ILE 10 Cb -0.20 -3.90 0.19 0.00 0.01 0.00 0.00 42.46 38.55 3pbg s ILE 10 CO 0.24 -0.12 0.64 -0.36 0.00 0.00 0.00 174.94 175.34 3pbg s PHE 11 N 2.32 3.61 0.20 3.97 0.08 -1.26 -1.15 117.98 125.76 3pbg s PHE 11 Ca 0.18 -2.16 0.03 0.00 0.12 0.00 0.00 56.93 55.10 3pbg s PHE 11 Cb -0.16 -3.62 0.03 0.00 -0.57 0.00 0.00 43.02 38.70 3pbg s PHE 11 CO 0.12 -0.95 0.21 0.41 -0.10 0.00 0.00 175.22 174.91 3pbg n GLY 12 N 3.95 2.47 3.02 4.36 0.00 -0.17 -1.72 105.19 117.10 3pbg n GLY 12 Ca 0.09 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 3pbg n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pbg s GLY 13 N -2.69 0.37 0.13 -0.02 0.00 -0.88 -2.88 107.32 101.35 3pbg s GLY 13 Ca 0.16 -0.68 0.09 0.00 0.00 0.00 0.00 44.72 44.29 3pbg s GLY 13 CO 0.10 -0.74 -0.16 0.00 0.00 0.00 0.00 173.10 172.30 3pbg s ALA 14 N -1.43 2.75 0.27 3.20 0.00 -0.13 -1.62 121.76 124.79 3pbg s ALA 14 Ca -0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.43 3pbg s ALA 14 Cb -0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 3pbg s ALA 14 CO -0.00 0.57 0.33 0.95 0.00 0.00 0.00 175.76 177.60 3pbg s THR 15 N -1.28 0.00 -0.07 0.00 -4.23 -0.89 -1.50 115.64 107.68 3pbg s THR 15 Ca 0.20 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 58.87 3pbg s THR 15 Cb -0.10 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.28 3pbg s THR 15 CO 0.11 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.42 3pbg s ALA 16 N -3.70 -0.55 0.03 3.99 0.00 -1.26 -4.41 121.76 115.86 3pbg s ALA 16 Ca 0.33 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3pbg s ALA 16 Cb 0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 3pbg s ALA 16 CO 0.16 -0.13 1.17 0.00 0.00 0.00 0.00 175.76 176.96 3pbg h ALA 17 N 5.46 -0.83 -0.69 0.00 0.00 -1.90 -0.88 119.26 120.42 3pbg h ALA 17 Ca -0.27 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.72 3pbg h ALA 17 Cb 1.19 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 3pbg h ALA 17 CO 0.37 -0.85 0.46 -0.92 0.00 0.00 0.00 179.25 178.31 3pbg h TYR 18 N -0.30 0.46 -0.02 0.00 3.20 -1.93 0.37 116.97 118.75 3pbg h TYR 18 Ca -0.02 0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 3pbg h TYR 18 Cb 0.26 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.40 3pbg h TYR 18 CO -0.18 0.19 -0.95 1.96 -1.64 0.00 0.00 178.16 177.54 3pbg h GLN 19 N 0.41 0.57 0.01 1.82 4.20 -1.86 -3.41 115.11 116.84 3pbg h GLN 19 Ca 0.33 -0.58 -0.41 0.00 0.06 0.00 0.00 58.65 58.04 3pbg h GLN 19 Cb 0.72 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.60 3pbg h GLN 19 CO -0.10 1.20 -2.31 0.00 -0.67 0.00 0.00 178.83 176.95 3pbg n ALA 20 N -2.59 1.16 0.18 3.87 0.00 -0.35 -3.95 120.51 118.84 3pbg n ALA 20 Ca -0.08 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 3pbg n ALA 20 Cb 0.84 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 3pbg n ALA 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3pbg h GLU 21 N -0.75 -0.66 0.00 0.00 5.08 -0.46 0.36 114.58 118.15 3pbg h GLU 21 Ca -0.61 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3pbg h GLU 21 Cb 1.65 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.05 3pbg h GLU 21 CO -0.30 -0.44 0.00 0.41 -1.00 0.00 0.00 179.01 177.68 3pbg n GLY 22 N -1.39 -0.42 4.14 -3.84 0.00 -1.26 -2.85 105.19 99.57 3pbg n GLY 22 Ca -0.08 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 3pbg n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pbg n ALA 23 N 3.34 -1.97 0.30 4.61 0.00 -1.26 -4.80 120.51 120.73 3pbg n ALA 23 Ca 0.00 -0.33 0.18 0.00 0.00 0.00 0.00 53.44 53.29 3pbg n ALA 23 Cb 0.00 -1.26 0.80 0.00 0.00 0.00 0.00 19.45 18.99 3pbg n ALA 23 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3pbg h THR 24 N -1.79 0.00 -0.21 0.00 1.35 -1.92 -2.99 112.91 107.36 3pbg h THR 24 Ca -0.64 -0.31 -0.21 0.00 -0.55 0.00 0.00 66.41 64.70 3pbg h THR 24 Cb 1.39 1.24 -0.34 0.00 -1.73 0.00 0.00 68.15 68.71 3pbg h THR 24 CO 0.67 0.00 -0.97 1.41 -0.25 0.00 0.00 175.52 176.38 3pbg n HIS 25 N -2.92 0.68 -4.46 4.73 8.25 -1.26 -4.72 115.22 115.51 3pbg n HIS 25 Ca -0.00 -1.33 -0.29 0.00 -0.26 0.00 0.00 57.72 55.83 3pbg n HIS 25 Cb 0.22 -0.21 -0.13 0.00 1.12 0.00 0.00 29.99 30.99 3pbg n HIS 25 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3pbg s THR 26 N -2.11 2.34 -1.51 1.59 2.01 -1.13 -4.74 115.64 112.09 3pbg s THR 26 Ca 0.34 -1.65 -0.11 0.00 0.31 0.00 0.00 61.69 60.58 3pbg s THR 26 Cb 0.37 -2.02 0.07 0.00 0.01 0.00 0.00 72.50 70.93 3pbg s THR 26 CO -0.09 0.14 0.88 0.47 -0.69 0.00 0.00 174.62 175.32 3pbg n ASP 27 N 1.04 -3.73 -0.19 3.53 8.00 -1.26 -2.20 116.55 121.74 3pbg n ASP 27 Ca -0.17 -0.83 -0.02 0.00 0.71 0.00 0.00 54.79 54.47 3pbg n ASP 27 Cb 0.53 -3.74 -0.01 0.00 -0.02 0.00 0.00 41.12 37.88 3pbg n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pbg n GLY 28 N -1.66 0.56 3.74 0.44 0.00 -1.26 -4.39 105.19 102.61 3pbg n GLY 28 Ca -0.04 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3pbg n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pbg s LYS 29 N -1.36 4.26 0.51 1.61 2.20 -0.94 -4.72 119.74 121.30 3pbg s LYS 29 Ca 0.00 2.29 -0.07 0.00 -0.36 0.00 0.00 55.97 57.83 3pbg s LYS 29 Cb 0.00 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 3pbg s LYS 29 CO 0.00 -0.45 0.85 0.20 -0.36 0.00 0.00 175.35 175.59 3pbg s GLY 30 N 0.55 1.60 0.70 5.54 0.00 0.37 -4.71 107.32 111.37 3pbg s GLY 30 Ca 0.62 -0.35 -0.12 0.00 0.00 0.00 0.00 44.72 44.86 3pbg s GLY 30 CO 0.40 -0.16 1.08 2.56 0.00 0.00 0.00 173.10 176.98 3pbg s PRO 31 N -4.72 2.74 0.12 2.90 0.04 -1.26 -4.81 135.00 130.01 3pbg s PRO 31 Ca 0.50 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.74 3pbg s PRO 31 Cb -0.10 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3pbg s PRO 31 CO 0.45 -1.27 -0.11 0.54 0.04 0.00 0.00 177.00 176.65 3pbg s VAL 32 N -2.76 1.13 0.47 -0.36 0.11 -1.26 -0.82 120.40 116.90 3pbg s VAL 32 Ca 0.62 -1.81 0.24 0.00 -2.93 0.00 0.00 61.98 58.10 3pbg s VAL 32 Cb -0.17 -1.57 0.43 0.00 -1.53 0.00 0.00 36.38 33.54 3pbg s VAL 32 CO 0.50 -0.58 1.85 0.00 -3.33 0.00 0.00 175.10 173.53 3pbg h ALA 33 N 3.28 2.52 0.00 1.54 0.00 -1.88 -0.79 119.26 123.93 3pbg h ALA 33 Ca -0.38 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3pbg h ALA 33 Cb 1.19 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3pbg h ALA 33 CO 0.56 -0.82 -0.15 -1.49 0.00 0.00 0.00 179.25 177.35 3pbg h TRP 34 N 0.22 0.00 -0.35 0.00 4.06 -1.93 -2.84 115.95 115.11 3pbg h TRP 34 Ca 0.49 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.51 3pbg h TRP 34 Cb 1.52 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.60 3pbg h TRP 34 CO -0.00 0.15 -0.25 -0.44 -3.56 0.00 0.00 178.44 174.34 3pbg h ASP 35 N 0.00 -0.83 0.02 -3.49 3.32 -1.56 -0.56 116.42 113.33 3pbg h ASP 35 Ca -0.00 0.16 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 3pbg h ASP 35 Cb 0.31 0.41 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3pbg h ASP 35 CO 0.02 -0.28 -0.61 0.50 -1.72 0.00 0.00 179.24 177.15 3pbg h LYS 36 N -0.21 0.05 -0.67 3.56 1.63 -1.76 -3.34 116.57 115.83 3pbg h LYS 36 Ca 0.17 -0.09 0.14 0.00 -0.85 0.00 0.00 60.65 60.02 3pbg h LYS 36 Cb 0.48 0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 32.01 3pbg h LYS 36 CO -0.47 1.04 -0.12 -0.92 -3.45 0.00 0.00 179.45 175.54 3pbg h TYR 37 N -0.87 -0.26 0.37 1.91 3.20 -1.43 -0.68 116.97 119.21 3pbg h TYR 37 Ca -0.15 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 3pbg h TYR 37 Cb 1.23 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.72 3pbg h TYR 37 CO 0.20 -0.26 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.18 3pbg h LEU 38 N 0.03 -0.51 -2.00 2.82 3.38 -1.28 0.64 115.31 118.39 3pbg h LEU 38 Ca 0.34 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.49 3pbg h LEU 38 Cb 0.53 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3pbg h LEU 38 CO -0.66 -0.34 0.44 -0.08 0.09 0.00 0.00 178.44 177.89 3pbg h GLU 39 N -0.54 0.00 0.00 1.13 4.81 -1.40 0.11 114.58 118.69 3pbg h GLU 39 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3pbg h GLU 39 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3pbg h GLU 39 CO 0.06 0.00 -1.84 -0.25 -0.73 0.00 0.00 179.01 176.25 3pbg n ASP 40 N -4.12 0.14 0.00 1.04 8.00 -0.37 -4.61 116.55 116.64 3pbg n ASP 40 Ca 0.10 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3pbg n ASP 40 Cb 0.67 1.79 0.00 0.00 -0.02 0.00 0.00 41.12 43.56 3pbg n ASP 40 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3pbg n ASN 41 N -2.24 0.80 -3.77 -2.24 5.03 0.17 -5.07 115.26 107.94 3pbg n ASN 41 Ca -0.03 -1.08 -0.20 0.00 0.87 0.00 0.00 54.58 54.14 3pbg n ASN 41 Cb 0.55 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.22 3pbg n ASN 41 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3pbg s TYR 42 N -0.08 1.66 -2.01 3.10 2.02 0.34 -5.02 117.35 117.36 3pbg s TYR 42 Ca 0.00 -1.48 0.22 0.00 -0.37 0.00 0.00 57.07 55.44 3pbg s TYR 42 Cb 0.00 -0.83 0.62 0.00 -0.40 0.00 0.00 41.96 41.36 3pbg s TYR 42 CO 0.00 -0.64 1.52 -2.67 -1.57 0.00 0.00 175.55 172.20 3pbg n TRP 43 N -0.63 0.94 -3.94 2.71 2.14 -1.26 -4.71 117.44 112.70 3pbg n TRP 43 Ca 0.02 -0.47 -0.10 0.00 2.07 0.00 0.00 57.50 59.03 3pbg n TRP 43 Cb 0.64 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.08 3pbg n TRP 43 CO 0.00 0.00 0.00 1.52 2.07 0.00 0.00 177.69 181.28 3pbg s TYR 44 N -1.06 0.33 0.37 -2.67 1.13 -1.26 -5.10 117.35 109.09 3pbg s TYR 44 Ca 0.47 -0.68 0.04 0.00 -1.41 0.00 0.00 57.07 55.49 3pbg s TYR 44 Cb 0.25 0.04 -0.06 0.00 -1.10 0.00 0.00 41.96 41.09 3pbg s TYR 44 CO 0.32 -0.79 0.05 0.95 -2.51 0.00 0.00 175.55 173.57 3pbg s THR 45 N -3.97 1.28 -1.49 -3.49 -4.23 -1.26 -4.43 115.64 98.06 3pbg s THR 45 Ca 0.17 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.95 3pbg s THR 45 Cb 0.02 -2.72 0.50 0.00 1.34 0.00 0.00 72.50 71.63 3pbg s THR 45 CO 0.01 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.01 3pbg n ALA 46 N -0.83 2.35 -2.79 3.99 0.00 -1.26 -4.69 120.51 117.29 3pbg n ALA 46 Ca -0.05 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 3pbg n ALA 46 Cb 0.66 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 3pbg n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3pbg s GLU 47 N -2.51 3.41 0.00 0.00 0.41 -1.26 -2.37 118.70 116.38 3pbg s GLU 47 Ca 0.27 -0.39 0.28 0.00 -0.41 0.00 0.00 54.97 54.72 3pbg s GLU 47 Cb 0.18 -2.96 1.13 0.00 -1.78 0.00 0.00 34.13 30.70 3pbg s GLU 47 CO 0.40 0.51 1.79 -0.35 -0.49 0.00 0.00 175.26 177.12 3pbg n PRO 48 N 2.76 1.48 0.00 0.39 -0.04 -1.26 -5.11 135.00 133.22 3pbg n PRO 48 Ca -0.18 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 3pbg n PRO 48 Cb 0.53 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3pbg n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3pbg n ALA 49 N -0.07 0.00 -0.82 0.55 0.00 -1.00 -2.28 120.51 116.89 3pbg n ALA 49 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.71 3pbg n ALA 49 Cb 0.32 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.11 3pbg n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3pbg n SER 50 N -0.96 4.82 -2.53 0.00 7.64 -1.09 -4.95 113.62 116.54 3pbg n SER 50 Ca 0.00 -2.78 -0.14 0.00 1.01 0.00 0.00 58.87 56.96 3pbg n SER 50 Cb 0.00 -0.59 -0.00 0.00 -1.01 0.00 0.00 64.21 62.60 3pbg n SER 50 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3pbg n ASP 51 N 0.42 -4.12 -0.26 6.43 2.03 -0.89 -4.87 116.55 115.30 3pbg n ASP 51 Ca 0.25 0.12 0.31 0.00 0.52 0.00 0.00 54.79 55.98 3pbg n ASP 51 Cb 0.99 -3.47 0.71 0.00 -0.72 0.00 0.00 41.12 38.63 3pbg n ASP 51 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3pbg h PHE 52 N -0.13 0.08 -0.40 -0.67 3.57 -0.79 -0.98 116.94 117.63 3pbg h PHE 52 Ca -0.33 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.29 3pbg h PHE 52 Cb 1.24 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 3pbg h PHE 52 CO 0.68 0.01 0.34 -0.92 -2.23 0.00 0.00 178.31 176.19 3pbg h TYR 53 N 0.05 0.00 0.00 0.41 3.20 -1.77 0.11 116.97 118.97 3pbg h TYR 53 Ca 0.51 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.37 3pbg h TYR 53 Cb 1.93 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.20 3pbg h TYR 53 CO -0.00 0.00 -1.17 0.72 -1.64 0.00 0.00 178.16 176.07 3pbg n HIS 54 N -4.07 0.00 0.68 -3.82 8.25 -0.47 -4.72 115.22 111.07 3pbg n HIS 54 Ca 0.07 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.65 3pbg n HIS 54 Cb 0.53 -0.09 0.19 0.00 1.12 0.00 0.00 29.99 31.74 3pbg n HIS 54 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3pbg n LYS 55 N -1.71 0.22 -0.37 -0.41 4.76 -0.62 -4.42 118.16 115.61 3pbg n LYS 55 Ca -0.01 0.06 0.31 0.00 -2.87 0.00 0.00 58.31 55.80 3pbg n LYS 55 Cb 0.18 -1.63 0.58 0.00 -1.84 0.00 0.00 35.03 32.31 3pbg n LYS 55 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 3pbg h TYR 56 N 0.00 0.75 0.00 2.13 -0.00 -1.23 0.15 116.97 118.77 3pbg h TYR 56 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 58.73 58.72 3pbg h TYR 56 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 36.73 37.22 3pbg h TYR 56 CO 0.00 -0.29 -0.19 -1.00 -0.00 0.00 0.00 178.16 176.69 3pbg h PRO 57 N 0.13 0.00 0.00 0.10 0.13 -1.88 -2.10 132.00 128.38 3pbg h PRO 57 Ca 0.80 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.90 3pbg h PRO 57 Cb 2.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 33.31 3pbg h PRO 57 CO -0.59 0.19 -0.19 0.28 -0.23 0.00 0.00 178.00 177.46 3pbg h VAL 58 N 0.00 1.41 -0.94 1.56 2.07 -1.04 -2.99 116.25 116.32 3pbg h VAL 58 Ca -0.00 -2.13 0.18 0.00 0.82 0.00 0.00 66.70 65.57 3pbg h VAL 58 Cb 0.48 2.74 -0.08 0.00 -1.52 0.00 0.00 31.29 32.91 3pbg h VAL 58 CO 0.02 0.48 0.60 0.44 0.02 0.00 0.00 177.57 179.13 3pbg h ASP 59 N -1.00 0.63 0.28 0.57 3.32 -1.35 -1.80 116.42 117.07 3pbg h ASP 59 Ca -0.05 0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.86 3pbg h ASP 59 Cb 0.91 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 3pbg h ASP 59 CO -0.03 0.27 -0.81 -0.07 -1.72 0.00 0.00 179.24 176.87 3pbg h LEU 60 N 0.63 0.51 -0.28 1.55 3.38 -1.49 0.65 115.31 120.27 3pbg h LEU 60 Ca 0.50 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3pbg h LEU 60 Cb 0.93 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3pbg h LEU 60 CO -0.26 1.13 0.06 -0.08 0.09 0.00 0.00 178.44 179.39 3pbg h GLU 61 N 0.26 0.44 0.63 1.13 4.81 -1.21 -1.26 114.58 119.38 3pbg h GLU 61 Ca -0.05 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3pbg h GLU 61 Cb 1.42 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3pbg h GLU 61 CO 0.14 0.53 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.56 3pbg h LEU 62 N 0.28 -0.77 -0.89 1.64 3.38 -1.35 0.16 115.31 117.76 3pbg h LEU 62 Ca 0.09 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.32 3pbg h LEU 62 Cb 0.29 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 3pbg h LEU 62 CO 0.00 -0.53 0.33 0.00 0.09 0.00 0.00 178.44 178.33 3pbg h ALA 63 N -0.50 1.38 -0.36 1.53 0.00 -0.81 0.19 119.26 120.69 3pbg h ALA 63 Ca -0.08 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3pbg h ALA 63 Cb 0.68 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3pbg h ALA 63 CO 0.13 -0.42 -0.12 1.49 0.00 0.00 0.00 179.25 180.33 3pbg h GLU 64 N 0.30 0.71 -0.97 0.00 4.81 -0.57 0.15 114.58 119.02 3pbg h GLU 64 Ca 0.56 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3pbg h GLU 64 Cb 1.12 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 3pbg h GLU 64 CO -0.59 0.88 0.64 0.93 -0.73 0.00 0.00 179.01 180.14 3pbg h GLU 65 N 0.50 1.20 -0.72 1.92 5.08 0.22 -2.64 114.58 120.14 3pbg h GLU 65 Ca 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3pbg h GLU 65 Cb 0.64 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3pbg h GLU 65 CO 0.04 0.79 0.00 0.66 -1.00 0.00 0.00 179.01 179.50 3pbg n TYR 66 N -4.43 1.09 -0.30 4.33 4.02 -0.16 -4.93 117.16 116.79 3pbg n TYR 66 Ca 0.13 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 3pbg n TYR 66 Cb 0.09 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 3pbg n TYR 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3pbg n GLY 67 N 0.46 1.65 3.63 2.72 0.00 -0.99 -3.21 105.19 109.45 3pbg n GLY 67 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3pbg n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pbg s VAL 68 N -3.02 3.09 -0.87 1.61 1.01 0.02 -4.83 120.40 117.40 3pbg s VAL 68 Ca 0.00 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.18 3pbg s VAL 68 Cb 0.00 -3.09 0.26 0.00 0.00 0.00 0.00 36.38 33.55 3pbg s VAL 68 CO 0.00 -0.03 1.19 -0.46 0.00 0.00 0.00 175.10 175.80 3pbg n ASN 69 N 9.19 2.74 -3.75 3.32 0.23 -0.70 -4.33 115.26 121.95 3pbg n ASN 69 Ca 0.23 -1.94 -0.13 0.00 -0.53 0.00 0.00 54.58 52.21 3pbg n ASN 69 Cb 0.43 -0.19 -0.08 0.00 -2.08 0.00 0.00 39.78 37.86 3pbg n ASN 69 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3pbg s GLY 70 N -0.98 -0.15 -0.16 4.83 0.00 -1.25 -1.88 107.32 107.74 3pbg s GLY 70 Ca 0.20 0.25 -0.11 0.00 0.00 0.00 0.00 44.72 45.06 3pbg s GLY 70 CO 0.14 0.04 0.39 -1.50 0.00 0.00 0.00 173.10 172.17 3pbg s ILE 71 N -1.68 -0.01 -0.15 0.90 2.07 0.30 -2.07 121.20 120.56 3pbg s ILE 71 Ca -0.11 0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.06 3pbg s ILE 71 Cb -0.04 -0.57 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 3pbg s ILE 71 CO 0.02 0.02 0.25 -0.13 -1.91 0.00 0.00 174.94 173.19 3pbg s ARG 72 N 0.84 4.08 0.08 3.50 0.52 -0.64 -0.41 118.95 126.92 3pbg s ARG 72 Ca -0.05 0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 3pbg s ARG 72 Cb -0.06 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 3pbg s ARG 72 CO -0.06 0.38 -0.04 0.42 0.02 0.00 0.00 175.30 176.02 3pbg s ILE 73 N 0.05 0.48 0.02 1.52 1.01 -0.11 -2.08 121.20 122.08 3pbg s ILE 73 Ca 0.15 -1.89 0.02 0.00 0.00 0.00 0.00 60.65 58.94 3pbg s ILE 73 Cb -0.13 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3pbg s ILE 73 CO 0.04 -0.90 -0.07 -0.94 0.00 0.00 0.00 174.94 173.07 3pbg s SER 74 N -3.00 0.83 -0.05 3.58 1.04 -1.26 -1.33 113.70 113.51 3pbg s SER 74 Ca 0.11 -0.31 -0.18 0.00 0.48 0.00 0.00 55.95 56.05 3pbg s SER 74 Cb 0.06 -0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 3pbg s SER 74 CO -0.06 -0.04 0.48 -0.63 0.98 0.00 0.00 173.24 173.97 3pbg s ILE 75 N -0.70 5.06 -0.63 -1.02 1.01 -0.54 -4.31 121.20 120.09 3pbg s ILE 75 Ca -0.03 0.99 -0.26 0.00 0.00 0.00 0.00 60.65 61.35 3pbg s ILE 75 Cb -0.06 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.64 3pbg s ILE 75 CO 0.00 0.43 1.11 0.00 0.00 0.00 0.00 174.94 176.48 3pbg s ALA 76 N -0.13 3.00 0.29 9.38 0.00 -1.26 -4.60 121.76 128.44 3pbg s ALA 76 Ca 0.26 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3pbg s ALA 76 Cb -0.16 -3.98 0.70 0.00 0.00 0.00 0.00 23.12 19.67 3pbg s ALA 76 CO 0.13 -2.77 1.61 2.35 0.00 0.00 0.00 175.76 177.08 3pbg h TRP 77 N 9.61 0.12 0.00 0.00 2.91 -1.82 0.31 115.95 127.09 3pbg h TRP 77 Ca -0.27 0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.81 3pbg h TRP 77 Cb 1.06 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 3pbg h TRP 77 CO 1.01 -0.32 0.00 -1.13 -1.03 0.00 0.00 178.44 176.97 3pbg n SER 78 N -5.36 0.00 -0.08 2.65 3.41 -1.26 -1.64 113.62 111.34 3pbg n SER 78 Ca 0.21 -0.34 -0.11 0.00 -0.26 0.00 0.00 58.87 58.37 3pbg n SER 78 Cb 0.70 -0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 64.42 3pbg n SER 78 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3pbg n ARG 79 N -1.07 0.67 -0.03 4.33 0.63 0.11 -0.48 116.66 120.82 3pbg n ARG 79 Ca 0.11 0.10 -0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3pbg n ARG 79 Cb 0.07 -1.60 -0.00 0.00 0.45 0.00 0.00 32.46 31.38 3pbg n ARG 79 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3pbg h ILE 80 N 0.00 0.00 -3.59 5.15 1.08 -1.40 -3.37 117.51 115.39 3pbg h ILE 80 Ca -0.48 -0.54 -0.72 0.00 -0.39 0.00 0.00 64.86 62.74 3pbg h ILE 80 Cb 2.15 0.00 -0.33 0.00 -3.07 0.00 0.00 36.82 35.56 3pbg h ILE 80 CO 0.03 0.00 -0.21 -0.36 -0.69 0.00 0.00 178.15 176.92 3pbg s PHE 81 N -1.35 3.55 0.43 1.37 0.08 -0.65 0.15 117.98 121.56 3pbg s PHE 81 Ca -0.01 -2.60 0.14 0.00 0.12 0.00 0.00 56.93 54.58 3pbg s PHE 81 Cb 0.00 -3.35 0.77 0.00 -0.57 0.00 0.00 43.02 39.86 3pbg s PHE 81 CO 0.02 -0.86 1.37 -1.35 -0.10 0.00 0.00 175.22 174.29 3pbg h PRO 82 N 7.05 0.00 0.00 0.24 0.11 -1.77 0.17 132.00 137.81 3pbg h PRO 82 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3pbg h PRO 82 Cb 0.95 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3pbg h PRO 82 CO 0.74 0.00 -0.21 0.25 -0.21 0.00 0.00 178.00 178.57 3pbg n THR 83 N -2.40 1.49 0.00 -1.15 -2.24 -1.26 -4.36 114.28 104.37 3pbg n THR 83 Ca -0.01 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.85 3pbg n THR 83 Cb 0.56 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3pbg n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pbg n GLY 84 N -1.04 1.93 2.52 3.38 0.00 0.61 -4.78 105.19 107.82 3pbg n GLY 84 Ca 0.13 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 3pbg n GLY 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3pbg n TYR 85 N 0.00 -1.51 0.00 1.61 4.11 -1.26 -4.85 117.16 115.25 3pbg n TYR 85 Ca 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 57.90 56.37 3pbg n TYR 85 Cb 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 39.34 39.85 3pbg n TYR 85 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3pbg n GLY 86 N -0.40 0.81 3.76 -7.48 0.00 -1.26 -4.82 105.19 95.80 3pbg n GLY 86 Ca -0.02 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 3pbg n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbg s GLU 87 N 0.00 4.76 0.56 1.61 2.02 -1.26 -5.04 118.70 121.35 3pbg s GLU 87 Ca 0.00 1.52 -0.16 0.00 0.02 0.00 0.00 54.97 56.35 3pbg s GLU 87 Cb 0.00 -3.17 -0.06 0.00 0.10 0.00 0.00 34.13 31.00 3pbg s GLU 87 CO 0.00 0.42 1.02 0.08 0.02 0.00 0.00 175.26 176.80 3pbg s VAL 88 N -1.26 4.16 -0.36 2.63 1.01 -1.26 -4.42 120.40 120.90 3pbg s VAL 88 Ca 0.43 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 63.35 3pbg s VAL 88 Cb -0.26 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.62 3pbg s VAL 88 CO 0.32 -0.60 0.16 0.21 0.00 0.00 0.00 175.10 175.19 3pbg s ASN 89 N -2.95 5.49 0.22 3.32 2.47 0.40 -4.96 114.94 118.93 3pbg s ASN 89 Ca 0.61 -1.19 -0.09 0.00 0.42 0.00 0.00 52.86 52.62 3pbg s ASN 89 Cb -0.13 -1.93 0.35 0.00 -1.45 0.00 0.00 41.25 38.08 3pbg s ASN 89 CO 0.35 -0.39 1.67 -0.33 -3.72 0.00 0.00 177.10 174.68 3pbg h GLU 90 N 8.31 0.16 -0.20 0.43 4.39 -1.89 -2.16 114.58 123.62 3pbg h GLU 90 Ca -0.23 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.36 3pbg h GLU 90 Cb 1.09 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3pbg h GLU 90 CO 0.65 0.11 -0.31 0.87 -1.16 0.00 0.00 179.01 179.17 3pbg h LYS 91 N 0.17 0.39 0.84 2.33 1.57 -1.91 -2.56 116.57 117.40 3pbg h LYS 91 Ca 0.35 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3pbg h LYS 91 Cb 0.58 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.88 3pbg h LYS 91 CO -0.52 0.66 -0.40 0.78 -0.57 0.00 0.00 179.45 179.40 3pbg h GLY 92 N 1.07 -1.17 -0.12 3.86 0.00 -1.56 -2.40 103.07 102.75 3pbg h GLY 92 Ca 0.04 0.44 0.22 0.00 0.00 0.00 0.00 47.33 48.03 3pbg h GLY 92 CO 0.05 -0.43 0.51 -2.08 0.00 0.00 0.00 176.54 174.60 3pbg h VAL 93 N -1.26 0.54 -0.54 4.60 2.07 -1.45 0.47 116.25 120.67 3pbg h VAL 93 Ca -0.12 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3pbg h VAL 93 Cb 0.87 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3pbg h VAL 93 CO 0.19 0.10 0.08 -0.08 0.02 0.00 0.00 177.57 177.87 3pbg h GLU 94 N 0.53 0.87 -0.23 1.57 4.81 -1.39 -3.04 114.58 117.71 3pbg h GLU 94 Ca 0.60 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3pbg h GLU 94 Cb 1.10 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3pbg h GLU 94 CO -0.48 0.82 0.15 0.35 -0.73 0.00 0.00 179.01 179.12 3pbg h PHE 95 N 0.83 0.29 0.00 0.92 3.57 -0.37 -2.58 116.94 119.60 3pbg h PHE 95 Ca 0.17 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3pbg h PHE 95 Cb 0.38 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3pbg h PHE 95 CO 0.02 0.20 -0.18 1.88 -2.23 0.00 0.00 178.31 178.01 3pbg h TYR 96 N 0.30 0.00 -0.35 0.41 0.05 -1.44 -0.82 116.97 115.13 3pbg h TYR 96 Ca 0.08 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.74 3pbg h TYR 96 Cb -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3pbg h TYR 96 CO -0.06 0.18 -0.27 0.45 -1.05 0.00 0.00 178.16 177.41 3pbg h HIS 97 N 0.00 0.94 -0.43 4.88 3.86 -1.37 -1.20 115.15 121.83 3pbg h HIS 97 Ca -0.00 -0.27 -0.11 0.00 -1.16 0.00 0.00 60.37 58.83 3pbg h HIS 97 Cb 0.39 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 3pbg h HIS 97 CO 0.00 1.03 -0.18 0.87 0.86 0.00 0.00 177.93 180.52 3pbg h LYS 98 N 0.58 0.83 0.71 2.45 1.57 -1.00 -1.51 116.57 120.21 3pbg h LYS 98 Ca 0.06 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3pbg h LYS 98 Cb 0.84 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.11 3pbg h LYS 98 CO 0.07 0.94 -0.34 1.25 -0.57 0.00 0.00 179.45 180.80 3pbg h LEU 99 N 0.73 -0.81 -0.73 2.94 5.85 -1.04 -2.17 115.31 120.09 3pbg h LEU 99 Ca 0.11 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.91 3pbg h LEU 99 Cb 0.69 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 3pbg h LEU 99 CO 0.05 -0.49 0.40 -0.26 -0.34 0.00 0.00 178.44 177.80 3pbg h PHE 100 N -1.10 0.73 -0.93 1.25 0.04 -1.19 -0.33 116.94 115.41 3pbg h PHE 100 Ca -0.10 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.77 3pbg h PHE 100 Cb 0.76 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.63 3pbg h PHE 100 CO -0.00 0.31 0.60 0.00 -0.60 0.00 0.00 178.31 178.62 3pbg h ALA 101 N 1.40 1.51 -0.32 2.45 0.00 -1.24 -0.05 119.26 123.01 3pbg h ALA 101 Ca 0.34 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 3pbg h ALA 101 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3pbg h ALA 101 CO -0.22 0.34 -0.43 0.93 0.00 0.00 0.00 179.25 179.87 3pbg h GLU 102 N 1.04 0.81 -0.56 0.00 4.39 -0.42 -2.04 114.58 117.80 3pbg h GLU 102 Ca 0.41 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3pbg h GLU 102 Cb 0.24 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3pbg h GLU 102 CO -0.16 1.07 0.32 0.00 -1.16 0.00 0.00 179.01 179.08 3pbg h HIS 104 N 0.75 0.96 0.00 0.00 3.86 -0.85 0.29 115.15 120.16 3pbg h HIS 104 Ca 0.20 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3pbg h HIS 104 Cb 0.02 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.20 3pbg h HIS 104 CO -0.02 0.73 0.00 1.57 0.86 0.00 0.00 177.93 181.07 3pbg h LYS 105 N 0.91 0.00 -0.02 2.45 2.10 -1.25 -2.74 116.57 118.03 3pbg h LYS 105 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3pbg h LYS 105 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3pbg h LYS 105 CO -0.03 0.00 -0.11 0.54 -2.00 0.00 0.00 179.45 177.85 3pbg n ARG 106 N -3.02 1.54 -1.43 0.07 5.12 -0.72 -4.95 116.66 113.27 3pbg n ARG 106 Ca 0.03 -1.03 -0.12 0.00 -1.93 0.00 0.00 57.85 54.79 3pbg n ARG 106 Cb 0.42 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.19 3pbg n ARG 106 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3pbg n HIS 107 N 0.17 -0.05 -3.56 -1.55 8.25 -0.56 -4.77 115.22 113.14 3pbg n HIS 107 Ca 0.15 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.21 3pbg n HIS 107 Cb 0.41 -2.28 -0.11 0.00 1.12 0.00 0.00 29.99 29.14 3pbg n HIS 107 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3pbg s VAL 108 N -2.46 5.00 -0.06 1.59 1.01 -0.02 -4.72 120.40 120.73 3pbg s VAL 108 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3pbg s VAL 108 Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3pbg s VAL 108 CO 0.00 -0.07 1.27 -0.70 0.00 0.00 0.00 175.10 175.59 3pbg s GLU 109 N 1.66 4.31 -0.07 2.72 2.56 -0.78 -4.15 118.70 124.95 3pbg s GLU 109 Ca 0.05 1.74 -0.29 0.00 0.00 0.00 0.00 54.97 56.47 3pbg s GLU 109 Cb -0.18 -3.61 -0.02 0.00 2.00 0.00 0.00 34.13 32.32 3pbg s GLU 109 CO 0.09 -0.53 0.99 -1.25 -0.56 0.00 0.00 175.26 173.99 3pbg s PRO 110 N 2.54 4.46 -0.36 4.30 0.04 -1.26 -0.54 135.00 144.18 3pbg s PRO 110 Ca 0.58 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 3pbg s PRO 110 Cb -0.26 -3.51 0.08 0.00 0.04 0.00 0.00 34.50 30.85 3pbg s PRO 110 CO 0.22 -0.22 0.12 -0.06 0.04 0.00 0.00 177.00 177.10 3pbg s PHE 111 N 1.66 3.42 -0.18 0.56 0.40 0.46 -4.11 117.98 120.20 3pbg s PHE 111 Ca 0.49 -2.05 -0.08 0.00 -0.60 0.00 0.00 56.93 54.68 3pbg s PHE 111 Cb -0.19 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 3pbg s PHE 111 CO 0.21 -0.88 0.11 0.08 0.70 0.00 0.00 175.22 175.44 3pbg s VAL 112 N 1.23 5.22 -0.07 -0.44 1.01 -0.97 -0.93 120.40 125.45 3pbg s VAL 112 Ca 0.02 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 3pbg s VAL 112 Cb -0.21 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3pbg s VAL 112 CO -0.02 0.49 -0.03 -0.89 0.00 0.00 0.00 175.10 174.65 3pbg s THR 113 N 0.04 4.05 0.01 3.92 2.01 -0.44 -0.30 115.64 124.94 3pbg s THR 113 Ca 0.08 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 3pbg s THR 113 Cb -0.12 -2.70 -0.32 0.00 0.01 0.00 0.00 72.50 69.38 3pbg s THR 113 CO -0.00 0.58 0.90 -0.07 -0.69 0.00 0.00 174.62 175.34 3pbg h LEU 114 N 5.11 0.65 -7.68 4.42 3.38 -0.81 -1.42 115.31 118.96 3pbg h LEU 114 Ca -0.50 -0.79 -0.46 0.00 0.09 0.00 0.00 57.88 56.22 3pbg h LEU 114 Cb 1.18 -0.21 -0.36 0.00 0.09 0.00 0.00 40.66 41.36 3pbg h LEU 114 CO 0.54 1.64 -0.78 -2.28 0.09 0.00 0.00 178.44 177.64 3pbg s HIS 115 N -2.60 1.01 -0.39 1.13 5.04 -0.64 -4.38 115.29 114.46 3pbg s HIS 115 Ca -0.10 -0.38 0.03 0.00 -1.54 0.00 0.00 55.06 53.06 3pbg s HIS 115 Cb 0.05 -0.91 0.16 0.00 0.04 0.00 0.00 32.58 31.92 3pbg s HIS 115 CO 0.90 -0.33 0.30 -1.58 -2.34 0.00 0.00 174.74 171.69 3pbg s HIS 116 N 1.41 0.80 -1.22 3.88 2.46 -1.26 -1.77 115.29 119.59 3pbg s HIS 116 Ca -0.02 -1.94 -0.00 0.00 0.47 0.00 0.00 55.06 53.56 3pbg s HIS 116 Cb -0.13 -0.85 0.00 0.00 -0.13 0.00 0.00 32.58 31.47 3pbg s HIS 116 CO -0.03 -0.85 0.02 1.19 -2.47 0.00 0.00 174.74 172.60 3pbg n PHE 117 N 3.36 -1.34 -3.05 3.88 3.72 -1.26 -4.85 117.46 117.91 3pbg n PHE 117 Ca 0.22 0.02 -0.16 0.00 -0.05 0.00 0.00 57.45 57.48 3pbg n PHE 117 Cb 0.44 -3.05 -0.01 0.00 -0.94 0.00 0.00 39.48 35.92 3pbg n PHE 117 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3pbg n ASP 118 N -1.87 0.91 -4.75 4.37 5.75 -1.26 -4.95 116.55 114.75 3pbg n ASP 118 Ca -0.16 -2.95 -0.41 0.00 -0.01 0.00 0.00 54.79 51.25 3pbg n ASP 118 Cb 0.63 -0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 3pbg n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3pbg s THR 119 N -2.54 2.22 0.29 2.12 2.01 -1.26 -4.57 115.64 113.91 3pbg s THR 119 Ca 0.37 0.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.26 3pbg s THR 119 Cb 0.38 -3.12 -0.14 0.00 0.01 0.00 0.00 72.50 69.63 3pbg s THR 119 CO -0.05 0.03 1.13 -2.65 -0.69 0.00 0.00 174.62 172.39 3pbg n PRO 120 N 2.19 1.61 -0.18 4.92 -0.02 -1.26 -4.18 135.00 138.08 3pbg n PRO 120 Ca 0.08 0.57 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 3pbg n PRO 120 Cb 0.38 -2.03 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 3pbg n PRO 120 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3pbg h GLU 121 N 2.44 -0.06 -0.95 -0.52 4.81 -1.27 -2.06 114.58 116.98 3pbg h GLU 121 Ca -0.42 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.08 3pbg h GLU 121 Cb 1.32 0.01 -0.17 0.00 0.63 0.00 0.00 28.75 30.54 3pbg h GLU 121 CO 0.63 -0.04 0.09 0.00 -0.73 0.00 0.00 179.01 178.96 3pbg h ALA 122 N 1.38 1.20 0.00 2.92 0.00 -1.89 0.24 119.26 123.11 3pbg h ALA 122 Ca 0.26 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.44 3pbg h ALA 122 Cb 0.47 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3pbg h ALA 122 CO -0.60 -0.56 -0.98 -0.07 0.00 0.00 0.00 179.25 177.04 3pbg h LEU 123 N 0.05 0.00 0.06 0.00 3.38 -1.79 -3.35 115.31 113.66 3pbg h LEU 123 Ca 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.55 3pbg h LEU 123 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3pbg h LEU 123 CO -0.84 0.15 -0.03 -0.74 0.09 0.00 0.00 178.44 177.06 3pbg h HIS 124 N 0.00 -0.07 0.00 1.13 2.76 0.05 -2.31 115.15 116.71 3pbg h HIS 124 Ca -0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3pbg h HIS 124 Cb 1.14 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3pbg h HIS 124 CO 0.00 0.38 0.00 0.43 -1.30 0.00 0.00 177.93 177.44 3pbg n SER 125 N -4.90 0.14 -0.55 3.26 7.64 0.23 -1.06 113.62 118.37 3pbg n SER 125 Ca -0.08 -0.89 0.06 0.00 1.01 0.00 0.00 58.87 58.96 3pbg n SER 125 Cb 0.25 -0.07 0.14 0.00 -1.01 0.00 0.00 64.21 63.52 3pbg n SER 125 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3pbg n ASN 126 N -0.27 1.66 0.00 6.43 2.85 -1.05 -4.92 115.26 119.96 3pbg n ASN 126 Ca 0.00 -3.22 0.00 0.00 -0.11 0.00 0.00 54.58 51.25 3pbg n ASN 126 Cb 0.03 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 40.62 3pbg n ASN 126 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3pbg n GLY 127 N -0.90 0.94 7.00 8.20 0.00 -0.67 -4.65 105.19 115.11 3pbg n GLY 127 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3pbg n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pbg n ASP 128 N 0.00 0.00 -0.38 1.61 2.03 -0.22 -0.14 116.55 119.45 3pbg n ASP 128 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 3pbg n ASP 128 Cb 0.00 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 40.64 3pbg n ASP 128 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3pbg n PHE 129 N 14.00 0.23 0.52 -0.67 3.01 -1.26 -2.97 117.46 130.31 3pbg n PHE 129 Ca 0.00 -0.11 0.12 0.00 1.01 0.00 0.00 57.45 58.47 3pbg n PHE 129 Cb 0.00 0.00 0.26 0.00 -0.01 0.00 0.00 39.48 39.73 3pbg n PHE 129 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3pbg h LEU 130 N 1.33 0.00 -8.50 4.37 3.38 -0.89 -3.42 115.31 111.58 3pbg h LEU 130 Ca 0.00 -0.08 -0.69 0.00 0.09 0.00 0.00 57.88 57.20 3pbg h LEU 130 Cb 0.30 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.86 3pbg h LEU 130 CO 0.00 0.04 -0.13 0.21 0.09 0.00 0.00 178.44 178.65 3pbg s ASN 131 N -4.70 6.21 0.44 -0.43 3.84 -1.07 -4.96 114.94 114.27 3pbg s ASN 131 Ca 0.08 -0.73 0.26 0.00 0.21 0.00 0.00 52.86 52.67 3pbg s ASN 131 Cb 0.12 -2.24 1.40 0.00 -0.55 0.00 0.00 41.25 39.97 3pbg s ASN 131 CO 0.66 -0.67 1.76 0.03 -2.79 0.00 0.00 177.10 176.10 3pbg h ARG 132 N 8.80 0.00 -0.18 0.43 3.08 -1.87 -1.23 114.38 123.41 3pbg h ARG 132 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.73 3pbg h ARG 132 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3pbg h ARG 132 CO 0.84 0.00 -0.11 1.49 -1.07 0.00 0.00 179.97 181.13 3pbg h GLU 133 N 0.00 0.39 0.00 0.04 4.81 -1.93 -2.69 114.58 115.20 3pbg h GLU 133 Ca 0.00 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3pbg h GLU 133 Cb 0.23 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3pbg h GLU 133 CO 0.00 0.71 -0.01 -0.91 -0.73 0.00 0.00 179.01 178.07 3pbg h ASN 134 N 0.06 0.00 -0.28 1.04 2.35 -1.49 -0.38 115.58 116.88 3pbg h ASN 134 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3pbg h ASN 134 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3pbg h ASN 134 CO 0.03 0.01 0.09 0.40 -1.65 0.00 0.00 177.43 176.31 3pbg h ILE 135 N 0.00 1.20 -0.18 2.81 2.04 -1.51 -2.54 117.51 119.33 3pbg h ILE 135 Ca -0.00 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.26 3pbg h ILE 135 Cb 0.11 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3pbg h ILE 135 CO 0.00 0.21 -0.09 -0.33 0.00 0.00 0.00 178.15 177.94 3pbg h GLU 136 N 0.30 -0.08 -0.36 2.37 4.39 -1.11 -0.62 114.58 119.46 3pbg h GLU 136 Ca 0.09 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.88 3pbg h GLU 136 Cb 0.24 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3pbg h GLU 136 CO -0.00 -0.05 0.25 0.45 -1.16 0.00 0.00 179.01 178.50 3pbg h HIS 137 N -0.08 0.09 0.49 4.33 3.86 -1.45 -1.70 115.15 120.69 3pbg h HIS 137 Ca 0.10 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 3pbg h HIS 137 Cb 0.23 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3pbg h HIS 137 CO -0.24 0.05 -0.24 0.35 0.86 0.00 0.00 177.93 178.71 3pbg h PHE 138 N 0.09 -0.61 -0.94 2.45 3.57 -0.68 0.25 116.94 121.06 3pbg h PHE 138 Ca 0.17 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.84 3pbg h PHE 138 Cb 0.56 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 3pbg h PHE 138 CO -0.00 -0.29 0.60 0.82 -2.23 0.00 0.00 178.31 177.21 3pbg h ILE 139 N -0.96 0.72 -0.28 1.41 5.03 -1.08 0.41 117.51 122.76 3pbg h ILE 139 Ca -0.07 -0.21 -0.04 0.00 -0.12 0.00 0.00 64.86 64.43 3pbg h ILE 139 Cb 0.60 0.07 -0.01 0.00 -3.03 0.00 0.00 36.82 34.45 3pbg h ILE 139 CO 0.11 0.11 0.02 0.44 -0.68 0.00 0.00 178.15 178.15 3pbg h ASP 140 N 0.60 0.46 -0.77 1.72 5.19 -1.10 -0.58 116.42 121.93 3pbg h ASP 140 Ca 0.50 -0.29 -0.04 0.00 -0.62 0.00 0.00 57.03 56.59 3pbg h ASP 140 Cb 0.98 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.33 3pbg h ASP 140 CO -0.25 0.63 0.32 0.22 -3.12 0.00 0.00 179.24 177.04 3pbg h TYR 141 N 0.28 1.16 0.96 4.55 3.20 0.13 -2.16 116.97 125.09 3pbg h TYR 141 Ca 0.08 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3pbg h TYR 141 Cb 0.38 -0.35 0.01 0.00 1.54 0.00 0.00 36.73 38.31 3pbg h TYR 141 CO 0.03 0.88 -0.46 0.00 -1.64 0.00 0.00 178.16 176.96 3pbg h ALA 142 N 1.16 -1.32 -0.89 1.82 0.00 -0.13 -2.34 119.26 117.56 3pbg h ALA 142 Ca 0.26 -0.28 0.24 0.00 0.00 0.00 0.00 54.91 55.12 3pbg h ALA 142 Cb 0.20 0.50 -0.14 0.00 0.00 0.00 0.00 17.79 18.35 3pbg h ALA 142 CO -0.02 -1.23 0.28 0.00 0.00 0.00 0.00 179.25 178.28 3pbg h ALA 143 N -1.38 1.35 -0.30 0.00 0.00 -1.03 0.20 119.26 118.10 3pbg h ALA 143 Ca -0.13 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3pbg h ALA 143 Cb 0.99 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3pbg h ALA 143 CO 0.22 -0.46 0.16 0.35 0.00 0.00 0.00 179.25 179.51 3pbg h PHE 144 N 0.24 0.43 -0.25 0.00 3.57 -1.30 -2.13 116.94 117.50 3pbg h PHE 144 Ca 0.57 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.97 3pbg h PHE 144 Cb 1.15 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3pbg h PHE 144 CO -0.23 0.36 -0.18 0.00 -2.23 0.00 0.00 178.31 176.04 3pbg h PHE 146 N 0.41 0.86 0.03 0.00 0.04 -0.63 -1.72 116.94 115.93 3pbg h PHE 146 Ca 0.07 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3pbg h PHE 146 Cb 0.55 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3pbg h PHE 146 CO 0.02 0.71 -0.01 1.49 -0.60 0.00 0.00 178.31 179.92 3pbg h GLU 147 N 0.81 -0.04 -0.37 1.51 4.57 -0.99 -3.38 114.58 116.70 3pbg h GLU 147 Ca 0.18 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 3pbg h GLU 147 Cb 0.27 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 3pbg h GLU 147 CO -0.00 0.64 -0.05 1.49 -1.18 0.00 0.00 179.01 179.90 3pbg h GLU 148 N -0.92 0.61 -3.27 1.92 4.57 -0.86 -3.38 114.58 113.26 3pbg h GLU 148 Ca -0.00 -0.16 -0.72 0.00 -1.18 0.00 0.00 59.36 57.29 3pbg h GLU 148 Cb 0.69 -0.07 -0.34 0.00 -0.16 0.00 0.00 28.75 28.87 3pbg h GLU 148 CO 0.01 0.66 0.04 1.19 -1.18 0.00 0.00 179.01 179.73 3pbg n PHE 149 N -4.23 4.26 0.81 0.92 3.72 -0.65 -4.87 117.46 117.42 3pbg n PHE 149 Ca 0.01 -4.00 0.12 0.00 -0.05 0.00 0.00 57.45 53.54 3pbg n PHE 149 Cb 0.29 -1.22 0.51 0.00 -0.94 0.00 0.00 39.48 38.13 3pbg n PHE 149 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3pbg n PRO 150 N 2.22 0.03 0.03 -1.08 -0.04 -1.26 -3.40 135.00 131.50 3pbg n PRO 150 Ca 0.23 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 3pbg n PRO 150 Cb 0.37 -1.54 0.44 0.00 -0.04 0.00 0.00 33.50 32.73 3pbg n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3pbg n GLU 151 N -1.59 0.06 -3.21 0.54 4.71 -1.26 -4.74 120.64 115.16 3pbg n GLU 151 Ca 0.06 0.21 -0.39 0.00 -0.01 0.00 0.00 57.16 57.02 3pbg n GLU 151 Cb 0.30 -1.60 -0.06 0.00 -1.01 0.00 0.00 31.44 29.07 3pbg n GLU 151 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3pbg s VAL 152 N -3.07 5.11 -0.06 2.62 1.01 -1.22 -4.97 120.40 119.83 3pbg s VAL 152 Ca 0.09 1.10 0.22 0.00 0.00 0.00 0.00 61.98 63.39 3pbg s VAL 152 Cb 0.12 -3.89 -0.31 0.00 0.00 0.00 0.00 36.38 32.30 3pbg s VAL 152 CO 0.40 0.25 0.53 0.59 0.00 0.00 0.00 175.10 176.86 3pbg n ASN 153 N 4.12 0.07 -4.05 3.32 3.02 -1.26 -4.84 115.26 115.64 3pbg n ASN 153 Ca -0.04 0.01 -0.26 0.00 -0.03 0.00 0.00 54.58 54.25 3pbg n ASN 153 Cb 0.51 1.88 -0.17 0.00 -0.61 0.00 0.00 39.78 41.39 3pbg n ASN 153 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3pbg s TYR 154 N -3.50 1.71 0.02 3.10 2.02 -1.26 -0.32 117.35 119.12 3pbg s TYR 154 Ca -0.07 -0.70 0.06 0.00 -0.37 0.00 0.00 57.07 55.99 3pbg s TYR 154 Cb 0.14 -1.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 3pbg s TYR 154 CO 0.90 -0.35 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.78 3pbg s TRP 155 N 0.76 1.52 -0.02 2.71 0.52 0.15 -2.28 118.94 122.29 3pbg s TRP 155 Ca -0.12 -0.33 0.03 0.00 0.02 0.00 0.00 56.10 55.70 3pbg s TRP 155 Cb -0.16 -0.94 -0.00 0.00 -1.15 0.00 0.00 33.47 31.22 3pbg s TRP 155 CO 0.02 0.03 -0.12 0.95 0.02 0.00 0.00 176.95 177.85 3pbg s THR 156 N -0.64 1.03 0.00 2.01 -4.23 0.59 -1.15 115.64 113.25 3pbg s THR 156 Ca 0.05 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 3pbg s THR 156 Cb -0.08 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.88 3pbg s THR 156 CO 0.01 0.30 0.33 0.35 -0.54 0.00 0.00 174.62 175.07 3pbg n THR 157 N 3.08 0.00 -4.24 3.99 -2.24 -1.12 -1.59 114.28 112.16 3pbg n THR 157 Ca -0.17 0.71 -0.29 0.00 -2.27 0.00 0.00 64.05 62.04 3pbg n THR 157 Cb 0.54 -1.49 -0.10 0.00 -2.10 0.00 0.00 70.33 67.19 3pbg n THR 157 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3pbg s PHE 158 N -1.27 2.71 -0.23 4.78 0.08 -1.26 -1.62 117.98 121.17 3pbg s PHE 158 Ca 0.00 -0.18 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 3pbg s PHE 158 Cb 0.00 -1.39 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 3pbg s PHE 158 CO 0.00 0.45 -0.00 1.21 -0.10 0.00 0.00 175.22 176.77 3pbg s ASN 159 N -2.39 4.60 -0.52 1.36 2.47 -0.73 -2.92 114.94 116.82 3pbg s ASN 159 Ca 0.22 -0.31 -0.16 0.00 0.42 0.00 0.00 52.86 53.03 3pbg s ASN 159 Cb -0.10 -1.80 0.02 0.00 -1.45 0.00 0.00 41.25 37.91 3pbg s ASN 159 CO 0.14 -0.01 0.63 -0.62 -3.72 0.00 0.00 177.10 173.52 3pbg n GLU 160 N 4.76 -2.06 -0.07 0.43 1.02 0.43 -4.64 120.64 120.51 3pbg n GLU 160 Ca -0.17 1.83 -0.14 0.00 -0.02 0.00 0.00 57.16 58.65 3pbg n GLU 160 Cb 0.51 -4.97 -0.06 0.00 -0.02 0.00 0.00 31.44 26.91 3pbg n GLU 160 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3pbg h ILE 161 N 1.59 1.32 0.25 -3.67 2.04 -1.88 -3.09 117.51 114.07 3pbg h ILE 161 Ca -0.12 -1.52 0.01 0.00 1.00 0.00 0.00 64.86 64.22 3pbg h ILE 161 Cb 1.08 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3pbg h ILE 161 CO 0.23 0.48 -0.36 1.23 0.00 0.00 0.00 178.15 179.73 3pbg h GLY 162 N 0.32 -0.78 1.59 5.37 0.00 -1.89 -2.31 103.07 105.36 3pbg h GLY 162 Ca 0.02 0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.80 3pbg h GLY 162 CO 0.08 -0.28 0.18 -2.55 0.00 0.00 0.00 176.54 173.97 3pbg h PRO 163 N -0.68 0.00 -0.00 4.80 0.11 -1.92 -1.42 132.00 132.90 3pbg h PRO 163 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3pbg h PRO 163 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3pbg h PRO 163 CO -0.13 0.00 -0.05 0.82 -0.21 0.00 0.00 178.00 178.43 3pbg h ILE 164 N 0.00 1.59 -0.87 4.15 2.04 -1.33 -0.46 117.51 122.63 3pbg h ILE 164 Ca 0.04 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 64.11 3pbg h ILE 164 Cb 0.40 2.80 -0.05 0.00 -0.74 0.00 0.00 36.82 39.23 3pbg h ILE 164 CO -0.00 0.48 0.56 1.23 0.00 0.00 0.00 178.15 180.42 3pbg h GLY 165 N -0.70 1.25 0.83 5.37 0.00 -1.17 0.28 103.07 108.92 3pbg h GLY 165 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3pbg h GLY 165 CO 0.01 0.39 -0.05 -1.80 0.00 0.00 0.00 176.54 175.09 3pbg h ASP 166 N 1.12 -0.12 -0.54 0.19 1.82 -1.35 -0.69 116.42 116.85 3pbg h ASP 166 Ca 0.34 -0.15 -0.10 0.00 -0.39 0.00 0.00 57.03 56.73 3pbg h ASP 166 Cb -0.05 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 3pbg h ASP 166 CO -0.10 0.08 -0.04 1.23 -1.61 0.00 0.00 179.24 178.81 3pbg h GLY 167 N -0.32 1.08 0.94 -0.78 0.00 -0.59 0.83 103.07 104.24 3pbg h GLY 167 Ca -0.01 -0.80 -0.34 0.00 0.00 0.00 0.00 47.33 46.17 3pbg h GLY 167 CO 0.02 0.74 -1.74 1.46 0.00 0.00 0.00 176.54 177.02 3pbg h GLN 168 N 0.91 0.35 0.00 4.80 4.20 -0.49 0.14 115.11 125.02 3pbg h GLN 168 Ca 0.16 -0.60 -0.04 0.00 0.06 0.00 0.00 58.65 58.23 3pbg h GLN 168 Cb 0.58 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3pbg h GLN 168 CO 0.03 1.26 -1.53 0.66 -0.67 0.00 0.00 178.83 178.58 3pbg n TYR 169 N -3.54 0.00 -0.04 2.96 4.01 -0.28 -1.97 117.16 118.29 3pbg n TYR 169 Ca -0.24 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.46 3pbg n TYR 169 Cb 1.07 -0.30 -0.01 0.00 -0.31 0.00 0.00 39.34 39.79 3pbg n TYR 169 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3pbg n LEU 170 N -1.98 0.90 0.05 7.72 7.94 -0.83 -0.82 117.00 129.98 3pbg n LEU 170 Ca -0.05 0.17 -0.06 0.00 -1.11 0.00 0.00 56.01 54.96 3pbg n LEU 170 Cb 0.40 -0.61 -0.10 0.00 0.53 0.00 0.00 43.42 43.63 3pbg n LEU 170 CO 0.22 -0.40 -0.02 0.58 -1.11 0.00 0.00 177.39 176.66 3pbg h VAL 171 N -0.46 1.29 -3.14 1.96 2.07 -1.05 0.24 116.25 117.15 3pbg h VAL 171 Ca 0.00 -2.97 -0.22 0.00 0.82 0.00 0.00 66.70 64.33 3pbg h VAL 171 Cb 0.45 2.62 0.06 0.00 -1.52 0.00 0.00 31.29 32.90 3pbg h VAL 171 CO 0.00 0.73 -0.35 0.61 0.02 0.00 0.00 177.57 178.59 3pbg n GLY 172 N 1.39 0.09 0.04 2.17 0.00 -0.81 -4.79 105.19 103.29 3pbg n GLY 172 Ca -0.05 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.85 3pbg n GLY 172 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3pbg n LYS 173 N -2.73 0.48 -4.29 1.61 2.85 0.37 -4.51 118.16 111.94 3pbg n LYS 173 Ca -0.03 -0.06 -0.33 0.00 -1.05 0.00 0.00 58.31 56.85 3pbg n LYS 173 Cb 0.55 -1.60 -0.09 0.00 -0.65 0.00 0.00 35.03 33.23 3pbg n LYS 173 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3pbg s PHE 174 N -3.35 3.06 0.60 5.58 0.08 -0.48 -4.92 117.98 118.55 3pbg s PHE 174 Ca -0.02 0.07 -0.19 0.00 0.12 0.00 0.00 56.93 56.92 3pbg s PHE 174 Cb 0.13 -1.67 -0.05 0.00 -0.57 0.00 0.00 43.02 40.87 3pbg s PHE 174 CO 0.85 0.46 1.00 -2.30 -0.10 0.00 0.00 175.22 175.13 3pbg n PRO 175 N 1.41 0.96 0.27 0.24 -0.02 -1.26 -1.33 135.00 135.26 3pbg n PRO 175 Ca -0.15 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3pbg n PRO 175 Cb 0.53 -2.20 0.74 0.00 -0.02 0.00 0.00 33.50 32.54 3pbg n PRO 175 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3pbg h PRO 176 N 0.57 0.00 -0.05 0.52 0.13 -1.93 -3.42 132.00 127.82 3pbg h PRO 176 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3pbg h PRO 176 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3pbg h PRO 176 CO 0.51 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 3pbg n GLY 177 N -0.63 1.35 3.82 1.56 0.00 -0.44 -5.08 105.19 105.76 3pbg n GLY 177 Ca -0.02 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3pbg n GLY 177 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pbg s ILE 178 N -2.05 4.57 0.22 -0.61 1.01 -0.83 -4.76 121.20 118.75 3pbg s ILE 178 Ca 0.00 1.28 0.12 0.00 0.00 0.00 0.00 60.65 62.04 3pbg s ILE 178 Cb 0.00 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 3pbg s ILE 178 CO 0.00 0.21 -0.22 -0.54 0.00 0.00 0.00 174.94 174.38 3pbg s LYS 179 N -1.98 1.59 -0.93 2.79 1.02 -1.25 -2.60 119.74 118.38 3pbg s LYS 179 Ca 0.43 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.81 3pbg s LYS 179 Cb -0.17 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 3pbg s LYS 179 CO 0.21 0.38 0.00 0.66 -0.92 0.00 0.00 175.35 175.67 3pbg n TYR 180 N -0.05 -0.62 -3.10 3.18 4.01 0.86 -4.82 117.16 116.62 3pbg n TYR 180 Ca -0.10 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.19 3pbg n TYR 180 Cb 0.57 -2.05 -0.01 0.00 -0.31 0.00 0.00 39.34 37.54 3pbg n TYR 180 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3pbg s ASP 181 N -1.75 6.92 0.57 7.72 -1.08 0.00 -4.88 116.67 124.16 3pbg s ASP 181 Ca 0.00 -2.75 0.36 0.00 -0.52 0.00 0.00 52.55 49.64 3pbg s ASP 181 Cb 0.00 -2.32 1.61 0.00 -1.46 0.00 0.00 42.92 40.75 3pbg s ASP 181 CO 0.00 -0.72 2.07 -0.07 0.52 0.00 0.00 175.17 176.96 3pbg h LEU 182 N 8.95 0.00 0.04 -1.34 3.38 -1.88 -2.64 115.31 121.82 3pbg h LEU 182 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3pbg h LEU 182 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3pbg h LEU 182 CO 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 179.56 3pbg h ALA 183 N 2.01 -0.06 -0.42 1.53 0.00 -1.90 -3.01 119.26 117.41 3pbg h ALA 183 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.68 3pbg h ALA 183 Cb 0.38 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3pbg h ALA 183 CO 0.00 -0.18 -0.02 0.87 0.00 0.00 0.00 179.25 179.92 3pbg h LYS 184 N -0.77 0.08 -0.45 0.00 1.57 -1.88 -0.67 116.57 114.46 3pbg h LYS 184 Ca -0.01 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 3pbg h LYS 184 Cb 0.65 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.84 3pbg h LYS 184 CO 0.01 0.05 -0.34 0.28 -0.57 0.00 0.00 179.45 178.89 3pbg h VAL 185 N 0.08 0.21 -0.31 0.50 2.07 -1.52 0.12 116.25 117.40 3pbg h VAL 185 Ca 0.21 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.60 3pbg h VAL 185 Cb 0.31 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3pbg h VAL 185 CO -0.37 0.00 -0.31 -0.26 0.02 0.00 0.00 177.57 176.65 3pbg h PHE 186 N -0.24 0.91 -0.79 1.57 0.04 -1.31 -2.07 116.94 115.05 3pbg h PHE 186 Ca 0.18 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.71 3pbg h PHE 186 Cb 0.54 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3pbg h PHE 186 CO -0.57 1.04 0.52 0.37 -0.60 0.00 0.00 178.31 179.08 3pbg h GLN 187 N 0.52 0.95 -0.33 1.51 5.75 -0.80 0.34 115.11 123.05 3pbg h GLN 187 Ca 0.05 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.33 3pbg h GLN 187 Cb 0.89 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 3pbg h GLN 187 CO 0.08 0.63 -0.43 1.03 -2.65 0.00 0.00 178.83 177.49 3pbg h SER 188 N 0.98 0.90 -0.54 -0.69 0.87 -0.62 0.16 113.55 114.61 3pbg h SER 188 Ca 0.32 -0.42 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 3pbg h SER 188 Cb 0.04 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3pbg h SER 188 CO -0.09 1.20 0.13 0.45 -0.53 0.00 0.00 176.83 177.99 3pbg h HIS 189 N 0.67 0.90 0.20 2.24 3.86 -0.64 -1.40 115.15 120.98 3pbg h HIS 189 Ca 0.05 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3pbg h HIS 189 Cb 1.00 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3pbg h HIS 189 CO 0.06 0.78 -0.10 1.25 0.86 0.00 0.00 177.93 180.78 3pbg h HIS 190 N 0.75 -0.25 -0.49 2.45 6.17 -0.82 -2.41 115.15 120.55 3pbg h HIS 190 Ca 0.17 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.27 3pbg h HIS 190 Cb 0.33 0.08 -0.04 0.00 2.52 0.00 0.00 27.41 30.31 3pbg h HIS 190 CO 0.02 0.06 0.28 -0.91 0.71 0.00 0.00 177.93 178.10 3pbg h ASN 191 N -0.58 0.44 0.27 3.26 2.35 -0.64 -2.02 115.58 118.66 3pbg h ASN 191 Ca -0.03 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3pbg h ASN 191 Cb 0.43 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3pbg h ASN 191 CO 0.05 0.31 -0.33 0.24 -1.65 0.00 0.00 177.43 176.05 3pbg h MET 192 N 0.56 0.10 0.00 0.81 2.86 -1.33 -1.72 114.93 116.20 3pbg h MET 192 Ca 0.20 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.70 3pbg h MET 192 Cb 0.05 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3pbg h MET 192 CO -0.11 0.42 -0.52 0.52 1.06 0.00 0.00 176.91 178.28 3pbg h MET 193 N 0.09 0.00 -0.01 1.72 2.86 -1.02 -1.54 114.93 117.02 3pbg h MET 193 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3pbg h MET 193 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3pbg h MET 193 CO 0.05 0.52 -0.04 0.28 1.06 0.00 0.00 176.91 178.78 3pbg h VAL 194 N 0.00 1.48 -0.89 -2.22 2.07 -0.98 -0.47 116.25 115.24 3pbg h VAL 194 Ca -0.01 -1.46 0.20 0.00 0.82 0.00 0.00 66.70 66.26 3pbg h VAL 194 Cb 1.08 2.43 -0.12 0.00 -1.52 0.00 0.00 31.29 33.16 3pbg h VAL 194 CO 0.07 0.39 0.42 0.28 0.02 0.00 0.00 177.57 178.74 3pbg h SER 195 N -0.54 0.40 0.35 0.57 0.02 -1.18 -1.06 113.55 112.11 3pbg h SER 195 Ca -0.00 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3pbg h SER 195 Cb 0.65 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3pbg h SER 195 CO 0.01 0.07 -0.17 -0.74 -1.14 0.00 0.00 176.83 174.86 3pbg h HIS 196 N 0.47 -0.44 -0.52 3.45 -0.00 -1.11 -1.58 115.15 115.42 3pbg h HIS 196 Ca 0.54 -0.01 0.15 0.00 -0.00 0.00 0.00 60.37 61.05 3pbg h HIS 196 Cb 0.96 0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.49 3pbg h HIS 196 CO -0.12 -0.12 0.41 0.00 -0.00 0.00 0.00 177.93 178.11 3pbg h ALA 197 N -0.29 2.42 0.21 5.26 0.00 -0.21 0.35 119.26 126.99 3pbg h ALA 197 Ca -0.05 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 3pbg h ALA 197 Cb 0.52 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3pbg h ALA 197 CO 0.08 -0.68 -1.57 0.00 0.00 0.00 0.00 179.25 177.08 3pbg h ARG 198 N 0.00 0.44 0.17 0.00 3.08 -1.19 -2.99 114.38 113.89 3pbg h ARG 198 Ca 0.25 -0.75 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 3pbg h ARG 198 Cb 1.06 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3pbg h ARG 198 CO -0.00 1.35 -0.08 0.00 -1.07 0.00 0.00 179.97 180.17 3pbg h ALA 199 N 0.21 -0.22 -0.76 0.04 0.00 -0.18 -2.48 119.26 115.87 3pbg h ALA 199 Ca -0.28 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.52 3pbg h ALA 199 Cb 2.12 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.95 3pbg h ALA 199 CO 0.22 -0.52 0.49 -0.24 0.00 0.00 0.00 179.25 179.20 3pbg h VAL 200 N -0.43 1.14 0.11 0.00 3.04 -1.13 -2.31 116.25 116.67 3pbg h VAL 200 Ca -0.02 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 3pbg h VAL 200 Cb 0.33 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 3pbg h VAL 200 CO 0.04 0.18 -0.10 0.50 -1.01 0.00 0.00 177.57 177.17 3pbg h LYS 201 N 0.97 -0.22 -0.88 4.17 3.64 -1.45 -1.06 116.57 121.74 3pbg h LYS 201 Ca 0.30 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.81 3pbg h LYS 201 Cb -0.03 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 3pbg h LYS 201 CO -0.09 -0.15 0.50 1.25 -2.27 0.00 0.00 179.45 178.69 3pbg h LEU 202 N -0.23 0.69 -1.07 5.20 6.46 -1.18 0.63 115.31 125.81 3pbg h LEU 202 Ca 0.00 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 3pbg h LEU 202 Cb 0.22 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3pbg h LEU 202 CO -0.02 0.36 0.01 0.22 -0.62 0.00 0.00 178.44 178.39 3pbg h TYR 203 N 0.78 0.70 0.00 1.25 5.03 -1.07 0.04 116.97 123.71 3pbg h TYR 203 Ca 0.44 -0.08 -0.21 0.00 2.58 0.00 0.00 58.73 61.46 3pbg h TYR 203 Cb 0.49 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 3pbg h TYR 203 CO -0.06 0.66 -0.91 0.87 -1.32 0.00 0.00 178.16 177.41 3pbg h LYS 204 N 0.64 0.30 0.03 1.82 1.79 0.53 -2.99 116.57 118.68 3pbg h LYS 204 Ca 0.13 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 3pbg h LYS 204 Cb 0.38 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3pbg h LYS 204 CO 0.01 1.02 -0.01 -0.44 -1.08 0.00 0.00 179.45 178.95 3pbg h ASP 205 N 0.17 -0.03 0.17 0.86 3.32 0.62 -2.40 116.42 119.12 3pbg h ASP 205 Ca -0.06 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3pbg h ASP 205 Cb 1.54 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.10 3pbg h ASP 205 CO 0.15 0.38 0.00 0.29 -1.72 0.00 0.00 179.24 178.34 3pbg n LYS 206 N -4.91 0.29 -3.84 3.56 5.02 -0.05 -4.90 118.16 113.32 3pbg n LYS 206 Ca -0.08 0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 56.05 3pbg n LYS 206 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3pbg n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3pbg n GLY 207 N -0.10 -0.40 3.71 0.72 0.00 -0.91 -4.98 105.19 103.23 3pbg n GLY 207 Ca 0.08 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 3pbg n GLY 207 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pbg s TYR 208 N -3.80 1.82 -0.92 1.61 1.51 -1.17 -4.98 117.35 111.41 3pbg s TYR 208 Ca 0.10 0.77 -0.13 0.00 -1.01 0.00 0.00 57.07 56.80 3pbg s TYR 208 Cb -0.04 -3.42 0.24 0.00 -0.11 0.00 0.00 41.96 38.63 3pbg s TYR 208 CO 0.87 -2.95 0.89 0.15 -1.11 0.00 0.00 175.55 173.40 3pbg s LYS 209 N -5.24 3.80 0.00 -0.62 -0.14 -1.26 -4.96 119.74 111.32 3pbg s LYS 209 Ca 0.67 -2.69 0.00 0.00 -1.36 0.00 0.00 55.97 52.59 3pbg s LYS 209 Cb -0.14 -4.49 0.00 0.00 -1.68 0.00 0.00 37.83 31.52 3pbg s LYS 209 CO 0.55 -1.29 0.00 0.41 -0.76 0.00 0.00 175.35 174.27 3pbg n GLY 210 N 3.60 -0.64 3.19 -3.33 0.00 -1.26 -4.73 105.19 102.01 3pbg n GLY 210 Ca 0.17 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 3pbg n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbg s GLU 211 N -0.92 0.88 -0.00 1.61 2.02 0.57 -5.00 118.70 117.86 3pbg s GLU 211 Ca 0.00 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.06 3pbg s GLU 211 Cb 0.00 -0.93 -0.01 0.00 0.10 0.00 0.00 34.13 33.29 3pbg s GLU 211 CO 0.00 0.21 -0.10 -1.50 0.02 0.00 0.00 175.26 173.89 3pbg s ILE 212 N -1.21 0.81 0.00 -1.63 2.07 -1.26 0.29 121.20 120.28 3pbg s ILE 212 Ca -0.00 -0.48 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 3pbg s ILE 212 Cb -0.10 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 41.81 3pbg s ILE 212 CO 0.02 0.20 0.00 0.61 -1.91 0.00 0.00 174.94 173.86 3pbg n GLY 213 N 2.74 3.22 3.23 1.50 0.00 -0.30 -0.82 105.19 114.77 3pbg n GLY 213 Ca -0.14 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 3pbg n GLY 213 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pbg s VAL 214 N -2.59 1.43 -0.35 1.61 1.01 -1.24 -2.77 120.40 117.49 3pbg s VAL 214 Ca 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 61.98 60.50 3pbg s VAL 214 Cb 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 35.11 3pbg s VAL 214 CO 0.00 -0.16 0.10 -0.69 0.00 0.00 0.00 175.10 174.35 3pbg s VAL 215 N -1.28 3.22 -0.00 2.92 1.01 -1.15 -0.63 120.40 124.49 3pbg s VAL 215 Ca 0.03 -1.64 0.02 0.00 0.00 0.00 0.00 61.98 60.39 3pbg s VAL 215 Cb -0.10 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3pbg s VAL 215 CO 0.03 -0.37 -0.01 -1.00 0.00 0.00 0.00 175.10 173.75 3pbg s HIS 216 N 1.22 3.03 -0.20 5.22 3.76 0.33 -0.43 115.29 128.23 3pbg s HIS 216 Ca 0.01 0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 54.80 3pbg s HIS 216 Cb -0.21 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 3pbg s HIS 216 CO -0.02 0.44 0.47 0.00 -0.85 0.00 0.00 174.74 174.79 3pbg s ALA 217 N -1.06 3.54 -0.47 -1.40 0.00 -1.26 -0.68 121.76 120.43 3pbg s ALA 217 Ca 0.19 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.77 3pbg s ALA 217 Cb -0.11 -2.75 0.23 0.00 0.00 0.00 0.00 23.12 20.49 3pbg s ALA 217 CO 0.09 -0.38 0.54 1.28 0.00 0.00 0.00 175.76 177.29 3pbg n LEU 218 N 4.65 1.02 -4.72 0.00 4.77 -0.96 -4.84 117.00 116.93 3pbg n LEU 218 Ca -0.06 -4.84 -0.42 0.00 -0.03 0.00 0.00 56.01 50.66 3pbg n LEU 218 Cb 0.51 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 3pbg n LEU 218 CO 0.41 2.02 0.94 -2.16 -1.33 0.00 0.00 177.39 177.27 3pbg s PRO 219 N -1.29 4.41 0.14 3.23 0.04 -1.26 -4.92 135.00 135.34 3pbg s PRO 219 Ca 0.35 1.89 -0.31 0.00 0.04 0.00 0.00 61.00 62.98 3pbg s PRO 219 Cb 0.13 -3.29 -0.08 0.00 0.04 0.00 0.00 34.50 31.30 3pbg s PRO 219 CO -0.11 -0.28 1.31 0.99 0.04 0.00 0.00 177.00 178.95 3pbg s THR 220 N 0.84 3.43 -0.23 1.26 2.01 -1.25 -4.86 115.64 116.85 3pbg s THR 220 Ca 0.59 1.08 -0.06 0.00 0.31 0.00 0.00 61.69 63.61 3pbg s THR 220 Cb -0.33 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 3pbg s THR 220 CO 0.31 0.12 0.04 -0.54 -0.69 0.00 0.00 174.62 173.86 3pbg s LYS 221 N 0.60 3.65 0.06 4.92 -0.14 -1.26 -0.85 119.74 126.72 3pbg s LYS 221 Ca 0.60 -0.49 0.09 0.00 -1.36 0.00 0.00 55.97 54.81 3pbg s LYS 221 Cb -0.35 -3.21 -0.03 0.00 -1.68 0.00 0.00 37.83 32.56 3pbg s LYS 221 CO 0.33 -0.09 -0.26 0.71 -0.76 0.00 0.00 175.35 175.29 3pbg s TYR 222 N 1.30 2.24 0.32 3.18 2.02 0.83 -4.91 117.35 122.34 3pbg s TYR 222 Ca 0.04 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.07 3pbg s TYR 222 Cb -0.15 -1.32 -0.09 0.00 -0.40 0.00 0.00 41.96 40.01 3pbg s TYR 222 CO 0.02 0.16 1.02 -1.25 -1.57 0.00 0.00 175.55 173.94 3pbg s PRO 223 N -1.41 4.52 0.15 -1.71 0.04 -1.26 -0.11 135.00 135.22 3pbg s PRO 223 Ca 0.12 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 3pbg s PRO 223 Cb -0.10 -2.92 0.02 0.00 0.04 0.00 0.00 34.50 31.54 3pbg s PRO 223 CO 0.03 0.18 1.78 -0.92 0.04 0.00 0.00 177.00 178.10 3pbg h TYR 224 N 3.34 0.33 -3.51 0.56 3.20 -0.51 -3.34 116.97 117.04 3pbg h TYR 224 Ca -0.47 0.01 -0.64 0.00 3.14 0.00 0.00 58.73 60.78 3pbg h TYR 224 Cb 1.21 -0.10 -0.40 0.00 1.54 0.00 0.00 36.73 38.98 3pbg h TYR 224 CO 0.59 0.18 -0.72 0.34 -1.64 0.00 0.00 178.16 176.91 3pbg s ASP 225 N -5.43 4.51 0.64 -2.11 2.15 -1.26 -4.98 116.67 110.19 3pbg s ASP 225 Ca -0.13 -2.12 0.26 0.00 0.43 0.00 0.00 52.55 50.99 3pbg s ASP 225 Cb 0.11 -1.42 1.39 0.00 -0.30 0.00 0.00 42.92 42.69 3pbg s ASP 225 CO 0.71 -0.37 1.79 1.55 -0.17 0.00 0.00 175.17 178.68 3pbg h PRO 226 N 7.60 0.00 -0.18 4.34 0.13 -1.98 0.18 132.00 142.08 3pbg h PRO 226 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3pbg h PRO 226 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3pbg h PRO 226 CO 0.52 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.68 3pbg n GLU 227 N -3.06 1.73 -3.93 0.86 1.02 -1.26 -4.70 120.64 111.30 3pbg n GLU 227 Ca 0.02 -1.11 -0.34 0.00 -0.02 0.00 0.00 57.16 55.71 3pbg n GLU 227 Cb 0.56 -1.38 -0.14 0.00 -0.02 0.00 0.00 31.44 30.46 3pbg n GLU 227 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3pbg s ASN 228 N -1.51 4.85 0.48 1.62 3.84 0.62 -4.98 114.94 119.85 3pbg s ASN 228 Ca 0.31 -1.47 0.24 0.00 0.21 0.00 0.00 52.86 52.15 3pbg s ASN 228 Cb 0.17 -1.69 1.28 0.00 -0.55 0.00 0.00 41.25 40.46 3pbg s ASN 228 CO 0.25 -0.30 1.88 -0.65 -2.79 0.00 0.00 177.10 175.50 3pbg h PRO 229 N 7.93 0.20 -0.03 0.43 0.11 -1.84 0.23 132.00 139.03 3pbg h PRO 229 Ca -0.18 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.84 3pbg h PRO 229 Cb 1.05 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3pbg h PRO 229 CO 0.54 0.13 -0.36 0.00 -0.21 0.00 0.00 178.00 178.10 3pbg h ALA 230 N 1.60 1.36 0.07 -0.75 0.00 -1.93 0.10 119.26 119.71 3pbg h ALA 230 Ca 0.44 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3pbg h ALA 230 Cb 1.39 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.13 3pbg h ALA 230 CO -0.09 0.47 -0.78 -0.44 0.00 0.00 0.00 179.25 178.40 3pbg h ASP 231 N 0.04 0.56 0.20 0.00 5.19 -0.87 -2.46 116.42 119.09 3pbg h ASP 231 Ca 0.00 -0.84 0.01 0.00 -0.62 0.00 0.00 57.03 55.58 3pbg h ASP 231 Cb 0.65 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 3pbg h ASP 231 CO 0.05 1.35 -0.26 0.58 -3.12 0.00 0.00 179.24 177.83 3pbg h VAL 232 N -0.15 0.43 -0.73 -1.35 2.07 -1.05 -0.92 116.25 114.55 3pbg h VAL 232 Ca -0.12 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.54 3pbg h VAL 232 Cb 1.53 0.43 -0.09 0.00 -1.52 0.00 0.00 31.29 31.64 3pbg h VAL 232 CO 0.15 0.00 0.28 -0.09 0.02 0.00 0.00 177.57 177.93 3pbg h ARG 233 N -0.52 0.42 -0.70 1.57 1.12 -0.89 -0.48 114.38 114.89 3pbg h ARG 233 Ca 0.01 -0.03 0.07 0.00 -1.11 0.00 0.00 59.98 58.92 3pbg h ARG 233 Cb 0.51 -0.09 -0.06 0.00 -0.01 0.00 0.00 29.97 30.31 3pbg h ARG 233 CO -0.10 0.28 0.38 0.00 -3.11 0.00 0.00 179.97 177.43 3pbg h ALA 234 N 1.53 0.96 -0.34 2.80 0.00 -0.83 -1.05 119.26 122.33 3pbg h ALA 234 Ca 0.40 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 3pbg h ALA 234 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3pbg h ALA 234 CO -0.39 0.04 -0.17 0.00 0.00 0.00 0.00 179.25 178.73 3pbg h ALA 235 N 1.38 0.47 -0.47 0.00 0.00 0.13 -2.41 119.26 118.37 3pbg h ALA 235 Ca 0.32 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3pbg h ALA 235 Cb 0.25 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3pbg h ALA 235 CO -0.21 0.39 -0.06 0.93 0.00 0.00 0.00 179.25 180.30 3pbg h GLU 236 N 0.48 0.05 -0.16 0.00 5.08 -0.17 0.12 114.58 119.99 3pbg h GLU 236 Ca 0.07 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 3pbg h GLU 236 Cb 0.70 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3pbg h GLU 236 CO 0.05 0.03 -0.58 -0.07 -1.00 0.00 0.00 179.01 177.44 3pbg h LEU 237 N 0.05 0.56 -0.70 1.33 3.38 -1.24 -1.67 115.31 117.03 3pbg h LEU 237 Ca 0.23 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3pbg h LEU 237 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3pbg h LEU 237 CO -0.44 1.01 0.28 -0.08 0.09 0.00 0.00 178.44 179.30 3pbg h GLU 238 N 0.37 1.04 -0.32 1.13 4.57 -0.82 -1.48 114.58 119.08 3pbg h GLU 238 Ca 0.00 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 3pbg h GLU 238 Cb 1.12 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 3pbg h GLU 238 CO 0.11 0.86 -0.02 0.22 -1.18 0.00 0.00 179.01 178.99 3pbg h ASP 239 N 0.99 0.57 -0.90 1.04 3.58 -0.73 -2.04 116.42 118.93 3pbg h ASP 239 Ca 0.23 -0.33 0.09 0.00 0.42 0.00 0.00 57.03 57.45 3pbg h ASP 239 Cb 0.21 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.03 3pbg h ASP 239 CO -0.02 0.76 0.55 0.40 -2.88 0.00 0.00 179.24 178.05 3pbg h ILE 240 N 0.37 0.95 -0.60 2.25 2.04 -0.92 0.99 117.51 122.59 3pbg h ILE 240 Ca 0.09 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 3pbg h ILE 240 Cb 0.48 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3pbg h ILE 240 CO 0.02 0.17 0.03 0.40 0.00 0.00 0.00 178.15 178.77 3pbg h ILE 241 N 0.92 1.26 0.00 -0.67 2.04 -0.88 -2.94 117.51 117.24 3pbg h ILE 241 Ca 0.43 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3pbg h ILE 241 Cb 0.35 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3pbg h ILE 241 CO -0.23 0.40 -1.53 1.41 0.00 0.00 0.00 178.15 178.20 3pbg n HIS 242 N -4.20 0.00 0.09 1.37 8.25 -0.80 -4.91 115.22 115.03 3pbg n HIS 242 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3pbg n HIS 242 Cb 0.32 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3pbg n HIS 242 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3pbg n ASN 243 N -1.91 0.09 -0.14 0.41 3.02 0.34 -4.78 115.26 112.28 3pbg n ASN 243 Ca -0.01 0.32 -0.06 0.00 -0.03 0.00 0.00 54.58 54.80 3pbg n ASN 243 Cb 0.42 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 3pbg n ASN 243 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3pbg h LYS 244 N 0.00 -0.18 -0.39 3.52 1.79 -1.54 0.65 116.57 120.42 3pbg h LYS 244 Ca 0.00 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 3pbg h LYS 244 Cb 0.00 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 30.60 3pbg h LYS 244 CO 0.00 -0.12 -0.41 0.35 -1.08 0.00 0.00 179.45 178.19 3pbg h PHE 245 N -0.18 -1.20 -0.02 -1.35 3.57 -1.78 0.16 116.94 116.14 3pbg h PHE 245 Ca 0.20 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 3pbg h PHE 245 Cb 0.51 0.58 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 3pbg h PHE 245 CO -0.52 -0.43 0.00 0.82 -2.23 0.00 0.00 178.31 175.95 3pbg h ILE 246 N -0.32 1.19 -0.93 1.41 2.04 -1.77 -2.73 117.51 116.40 3pbg h ILE 246 Ca 0.14 -0.56 0.13 0.00 1.00 0.00 0.00 64.86 65.57 3pbg h ILE 246 Cb 0.58 1.53 -0.09 0.00 -0.74 0.00 0.00 36.82 38.10 3pbg h ILE 246 CO -0.56 0.15 0.55 -0.07 0.00 0.00 0.00 178.15 178.21 3pbg h LEU 247 N -0.20 0.75 0.26 1.44 3.38 -0.40 -0.07 115.31 120.47 3pbg h LEU 247 Ca 0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3pbg h LEU 247 Cb 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3pbg h LEU 247 CO 0.00 0.36 -0.12 0.44 0.09 0.00 0.00 178.44 179.21 3pbg h ASP 248 N 0.82 -0.29 -0.21 -0.43 3.32 -0.59 -0.14 116.42 118.90 3pbg h ASP 248 Ca 0.48 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.54 3pbg h ASP 248 Cb 0.58 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3pbg h ASP 248 CO -0.31 -0.13 0.16 0.00 -1.72 0.00 0.00 179.24 177.24 3pbg h ALA 249 N 0.28 2.11 -0.08 3.45 0.00 -1.12 0.77 119.26 124.68 3pbg h ALA 249 Ca -0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3pbg h ALA 249 Cb 0.33 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3pbg h ALA 249 CO 0.06 -0.27 -0.44 1.15 0.00 0.00 0.00 179.25 179.75 3pbg h THR 250 N 0.00 1.40 -0.01 0.00 2.02 -0.33 -3.27 112.91 112.71 3pbg h THR 250 Ca 0.10 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.47 3pbg h THR 250 Cb 0.42 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 3pbg h THR 250 CO -0.00 0.53 0.00 -1.22 0.37 0.00 0.00 175.52 175.20 3pbg n TYR 251 N -4.31 0.01 -0.00 3.16 4.01 -0.13 -4.47 117.16 115.44 3pbg n TYR 251 Ca -0.08 -0.08 0.01 0.00 -0.16 0.00 0.00 57.90 57.59 3pbg n TYR 251 Cb 0.57 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.57 3pbg n TYR 251 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3pbg n LEU 252 N 0.06 0.00 0.00 7.72 4.77 0.26 -4.95 117.00 124.86 3pbg n LEU 252 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3pbg n LEU 252 Cb 0.09 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3pbg n LEU 252 CO 0.01 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3pbg n GLY 253 N 2.50 1.61 3.77 -0.72 0.00 -1.00 -4.87 105.19 106.48 3pbg n GLY 253 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3pbg n GLY 253 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3pbg s HIS 254 N -3.26 0.09 -0.18 1.61 0.00 -1.26 -3.66 115.29 108.64 3pbg s HIS 254 Ca 0.00 -0.60 -0.17 0.00 -3.00 0.00 0.00 55.06 51.28 3pbg s HIS 254 Cb 0.00 0.62 -0.04 0.00 -4.00 0.00 0.00 32.58 29.17 3pbg s HIS 254 CO 0.00 -1.32 0.46 0.71 -1.00 0.00 0.00 174.74 173.60 3pbg s TYR 255 N -3.29 3.41 0.99 0.38 2.02 -1.26 -3.76 117.35 115.84 3pbg s TYR 255 Ca 0.16 0.75 -0.11 0.00 -0.37 0.00 0.00 57.07 57.49 3pbg s TYR 255 Cb -0.05 -2.59 0.19 0.00 -0.40 0.00 0.00 41.96 39.12 3pbg s TYR 255 CO 0.10 0.00 1.10 -1.54 -1.57 0.00 0.00 175.55 173.64 3pbg s SER 256 N 0.97 2.37 0.14 2.29 1.04 -1.26 -4.71 113.70 114.54 3pbg s SER 256 Ca 0.23 1.87 -0.17 0.00 0.48 0.00 0.00 55.95 58.36 3pbg s SER 256 Cb -0.15 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.54 3pbg s SER 256 CO 0.09 -3.40 1.78 0.44 0.98 0.00 0.00 173.24 173.13 3pbg h ASP 257 N -2.07 0.26 -0.76 7.02 3.32 -1.99 0.07 116.42 122.28 3pbg h ASP 257 Ca -0.50 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 3pbg h ASP 257 Cb 1.29 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 3pbg h ASP 257 CO 0.46 0.19 0.37 0.11 -1.72 0.00 0.00 179.24 178.66 3pbg h LYS 258 N 0.35 1.10 -0.05 3.56 1.57 -1.99 0.14 116.57 121.26 3pbg h LYS 258 Ca 0.13 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3pbg h LYS 258 Cb 0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3pbg h LYS 258 CO -0.08 0.85 -0.08 1.15 -0.57 0.00 0.00 179.45 180.72 3pbg h THR 259 N 1.07 0.77 -0.89 -0.16 2.02 -1.75 0.74 112.91 114.72 3pbg h THR 259 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 3pbg h THR 259 Cb 0.11 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3pbg h THR 259 CO -0.03 0.00 0.51 0.24 0.37 0.00 0.00 175.52 176.61 3pbg h MET 260 N -0.12 1.22 0.76 6.66 2.86 -0.59 0.27 114.93 125.98 3pbg h MET 260 Ca 0.05 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3pbg h MET 260 Cb 0.19 -0.25 0.01 0.00 0.06 0.00 0.00 31.60 31.61 3pbg h MET 260 CO -0.12 0.87 -0.37 1.49 1.06 0.00 0.00 176.91 179.85 3pbg h GLU 261 N 1.23 -0.99 -0.92 1.72 4.22 -0.10 -0.66 114.58 119.09 3pbg h GLU 261 Ca 0.32 0.07 0.13 0.00 0.08 0.00 0.00 59.36 59.96 3pbg h GLU 261 Cb -0.01 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 29.37 3pbg h GLU 261 CO -0.06 -0.64 0.54 0.78 -2.18 0.00 0.00 179.01 177.45 3pbg h GLY 262 N -1.11 1.52 0.96 1.92 0.00 -0.67 -1.83 103.07 103.86 3pbg h GLY 262 Ca -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3pbg h GLY 262 CO 0.17 0.07 0.20 -2.08 0.00 0.00 0.00 176.54 174.89 3pbg h VAL 263 N 0.82 1.16 -0.79 4.60 2.07 -0.64 -1.43 116.25 122.04 3pbg h VAL 263 Ca 0.48 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3pbg h VAL 263 Cb 0.57 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3pbg h VAL 263 CO -0.30 0.17 0.40 0.78 0.02 0.00 0.00 177.57 178.63 3pbg h ASN 264 N 0.48 1.01 0.69 0.57 -0.26 -0.35 -1.15 115.58 116.57 3pbg h ASN 264 Ca 0.13 -0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 3pbg h ASN 264 Cb 0.09 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 3pbg h ASN 264 CO -0.02 0.85 -0.45 -0.74 -1.06 0.00 0.00 177.43 176.01 3pbg h HIS 265 N 1.10 -1.20 -0.82 1.19 2.76 -1.00 0.24 115.15 117.42 3pbg h HIS 265 Ca 0.27 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.61 3pbg h HIS 265 Cb 0.09 0.44 -0.11 0.00 1.55 0.00 0.00 27.41 29.37 3pbg h HIS 265 CO 0.01 -0.67 0.33 0.82 -1.30 0.00 0.00 177.93 177.12 3pbg h ILE 266 N -1.08 0.57 0.00 6.26 2.04 -1.11 0.21 117.51 124.40 3pbg h ILE 266 Ca -0.09 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3pbg h ILE 266 Cb 0.88 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3pbg h ILE 266 CO 0.07 0.08 -0.17 -0.07 0.00 0.00 0.00 178.15 178.06 3pbg h LEU 267 N 0.42 0.00 -0.00 1.44 3.38 -0.67 -1.89 115.31 117.98 3pbg h LEU 267 Ca 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 3pbg h LEU 267 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3pbg h LEU 267 CO -0.47 0.17 -0.01 0.00 0.09 0.00 0.00 178.44 178.22 3pbg h ALA 268 N 1.83 0.01 -0.62 1.53 0.00 0.27 0.45 119.26 122.72 3pbg h ALA 268 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3pbg h ALA 268 Cb 0.77 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3pbg h ALA 268 CO 0.02 -0.18 0.08 0.93 0.00 0.00 0.00 179.25 180.10 3pbg h GLU 269 N -0.58 1.03 -0.00 0.00 4.39 -1.24 -3.23 114.58 114.94 3pbg h GLU 269 Ca -0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3pbg h GLU 269 Cb 0.61 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3pbg h GLU 269 CO 0.00 0.96 -0.64 0.09 -1.16 0.00 0.00 179.01 178.26 3pbg n ASN 270 N -4.21 1.17 -0.11 1.42 3.02 -0.72 -5.00 115.26 110.83 3pbg n ASN 270 Ca 0.04 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 3pbg n ASN 270 Cb 0.30 0.80 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 3pbg n ASN 270 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pbg n GLY 271 N 1.34 -3.04 0.00 7.41 0.00 0.16 -4.96 105.19 106.09 3pbg n GLY 271 Ca 0.05 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3pbg n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pbg n GLY 272 N -1.13 3.58 3.17 -0.02 0.00 -1.21 -4.57 105.19 105.00 3pbg n GLY 272 Ca 0.00 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 3pbg n GLY 272 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbg s GLU 273 N -2.33 1.80 -0.19 1.61 0.41 -1.26 -4.94 118.70 113.80 3pbg s GLU 273 Ca 0.00 -0.67 -0.02 0.00 -0.41 0.00 0.00 54.97 53.88 3pbg s GLU 273 Cb 0.00 -1.61 -0.00 0.00 -1.78 0.00 0.00 34.13 30.74 3pbg s GLU 273 CO 0.00 0.31 -0.10 -0.51 -0.49 0.00 0.00 175.26 174.47 3pbg s LEU 274 N -0.14 2.66 -0.62 1.80 1.43 -1.26 -4.89 118.68 117.67 3pbg s LEU 274 Ca -0.00 -0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 52.44 3pbg s LEU 274 Cb -0.10 -1.65 0.09 0.00 0.03 0.00 0.00 46.19 44.55 3pbg s LEU 274 CO 0.01 0.02 0.82 -0.62 0.23 0.00 0.00 176.35 176.82 3pbg s ASP 275 N 1.22 6.18 -0.25 2.29 2.15 -1.26 -5.03 116.67 121.98 3pbg s ASP 275 Ca 0.02 -1.19 0.03 0.00 0.43 0.00 0.00 52.55 51.85 3pbg s ASP 275 Cb -0.14 -2.36 0.06 0.00 -0.30 0.00 0.00 42.92 40.18 3pbg s ASP 275 CO -0.04 -1.25 -0.11 -0.76 -0.17 0.00 0.00 175.17 172.84 3pbg s LEU 276 N 3.33 3.29 0.34 -1.34 1.43 -1.26 -5.04 118.68 119.43 3pbg s LEU 276 Ca 0.17 -1.33 -0.15 0.00 -1.03 0.00 0.00 54.13 51.78 3pbg s LEU 276 Cb -0.20 -1.51 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 3pbg s LEU 276 CO 0.09 -0.18 0.76 -0.13 0.23 0.00 0.00 176.35 177.12 3pbg s ARG 277 N 1.14 4.01 0.17 1.70 3.00 -1.26 -4.98 118.95 122.73 3pbg s ARG 277 Ca -0.08 0.71 -0.14 0.00 0.00 0.00 0.00 55.73 56.22 3pbg s ARG 277 Cb -0.19 -2.40 0.07 0.00 0.00 0.00 0.00 34.95 32.43 3pbg s ARG 277 CO -0.06 0.12 1.83 -0.44 0.00 0.00 0.00 175.30 176.75 3pbg h ASP 278 N 2.14 0.54 -0.54 0.23 3.32 -2.01 -1.37 116.42 118.74 3pbg h ASP 278 Ca -0.48 -0.01 0.11 0.00 0.02 0.00 0.00 57.03 56.68 3pbg h ASP 278 Cb 1.18 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3pbg h ASP 278 CO 0.65 0.39 0.37 1.05 -1.72 0.00 0.00 179.24 179.97 3pbg h GLU 279 N 0.65 0.22 -0.92 3.56 9.09 -2.01 0.29 114.58 125.47 3pbg h GLU 279 Ca 0.19 -0.01 0.02 0.00 0.05 0.00 0.00 59.36 59.60 3pbg h GLU 279 Cb -0.04 -0.05 -0.05 0.00 -1.65 0.00 0.00 28.75 26.96 3pbg h GLU 279 CO -0.06 0.15 0.61 -0.44 0.05 0.00 0.00 179.01 179.32 3pbg h ASP 280 N 0.23 1.04 1.29 3.06 3.32 -1.63 -2.51 116.42 121.21 3pbg h ASP 280 Ca 0.25 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 3pbg h ASP 280 Cb 0.69 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3pbg h ASP 280 CO -0.05 0.74 -0.38 -0.26 -1.72 0.00 0.00 179.24 177.57 3pbg h PHE 281 N 1.22 0.00 -0.20 4.55 -1.00 -0.92 -2.58 116.94 118.01 3pbg h PHE 281 Ca 0.35 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.97 3pbg h PHE 281 Cb -0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.47 3pbg h PHE 281 CO -0.00 0.38 -0.48 1.96 -1.61 0.00 0.00 178.31 178.56 3pbg h GLN 282 N 0.00 0.67 -0.87 1.51 4.20 -1.23 -0.48 115.11 118.91 3pbg h GLN 282 Ca -0.00 -0.46 -0.03 0.00 0.06 0.00 0.00 58.65 58.22 3pbg h GLN 282 Cb 1.12 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 3pbg h GLN 282 CO 0.05 1.08 0.44 0.00 -0.67 0.00 0.00 178.83 179.73 3pbg h ALA 283 N 0.59 1.12 -0.32 3.87 0.00 -1.47 -1.39 119.26 121.66 3pbg h ALA 283 Ca -0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 3pbg h ALA 283 Cb 1.09 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3pbg h ALA 283 CO 0.10 0.67 -0.50 -0.07 0.00 0.00 0.00 179.25 179.45 3pbg h LEU 284 N 1.24 0.98 -0.85 0.00 3.38 -1.38 -3.23 115.31 115.45 3pbg h LEU 284 Ca 0.30 -0.50 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 3pbg h LEU 284 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3pbg h LEU 284 CO -0.04 1.30 -0.11 -0.78 0.09 0.00 0.00 178.44 178.90 3pbg h ASP 285 N 0.70 0.72 -0.56 -0.43 3.58 -0.58 -2.92 116.42 116.93 3pbg h ASP 285 Ca 0.03 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.16 3pbg h ASP 285 Cb 1.10 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 3pbg h ASP 285 CO 0.11 0.86 -0.09 0.00 -2.88 0.00 0.00 179.24 177.25 3pbg h ALA 286 N 1.21 0.77 -0.01 -0.78 0.00 -1.32 -3.22 119.26 115.92 3pbg h ALA 286 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3pbg h ALA 286 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3pbg h ALA 286 CO 0.04 0.68 -0.10 0.00 0.00 0.00 0.00 179.25 179.87 3pbg n ALA 287 N -2.50 2.76 -0.35 0.00 0.00 -1.18 -4.36 120.51 114.88 3pbg n ALA 287 Ca 0.02 -0.31 0.09 0.00 0.00 0.00 0.00 53.44 53.24 3pbg n ALA 287 Cb 0.40 -1.30 0.28 0.00 0.00 0.00 0.00 19.45 18.82 3pbg n ALA 287 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3pbg h LYS 288 N 0.89 0.88 -0.68 0.00 2.10 -1.52 -1.26 116.57 116.99 3pbg h LYS 288 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3pbg h LYS 288 Cb 0.36 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3pbg h LYS 288 CO 0.00 0.58 0.00 -0.25 -2.00 0.00 0.00 179.45 177.78 3pbg n ASP 289 N -4.65 3.89 0.06 7.07 8.00 -1.26 -4.35 116.55 125.31 3pbg n ASP 289 Ca 0.20 -2.00 0.12 0.00 0.71 0.00 0.00 54.79 53.82 3pbg n ASP 289 Cb 0.42 -0.45 0.17 0.00 -0.02 0.00 0.00 41.12 41.25 3pbg n ASP 289 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3pbg n LEU 290 N 1.65 0.69 -4.67 0.64 4.77 -0.47 -4.86 117.00 114.75 3pbg n LEU 290 Ca 0.24 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 56.01 3pbg n LEU 290 Cb 0.63 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 3pbg n LEU 290 CO 0.17 -0.05 1.12 0.20 -1.33 0.00 0.00 177.39 177.50 3pbg s ASN 291 N -4.19 6.89 0.08 -1.43 0.01 -1.25 -4.85 114.94 110.19 3pbg s ASN 291 Ca 0.06 1.92 -0.11 0.00 -0.71 0.00 0.00 52.86 54.02 3pbg s ASN 291 Cb 0.13 -2.55 -0.24 0.00 0.41 0.00 0.00 41.25 39.01 3pbg s ASN 291 CO 0.72 -0.75 1.16 0.44 -1.51 0.00 0.00 177.10 177.17 3pbg h ASP 292 N 8.20 0.77 -5.46 -1.22 3.32 -1.31 -3.47 116.42 117.24 3pbg h ASP 292 Ca -0.33 -0.68 -0.18 0.00 0.02 0.00 0.00 57.03 55.85 3pbg h ASP 292 Cb 1.15 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.32 3pbg h ASP 292 CO 0.93 1.50 -0.52 0.72 -1.72 0.00 0.00 179.24 180.15 3pbg s PHE 293 N -3.06 0.89 -0.11 4.55 -0.12 -1.25 -3.89 117.98 114.98 3pbg s PHE 293 Ca -0.08 -1.18 0.00 0.00 -0.05 0.00 0.00 56.93 55.62 3pbg s PHE 293 Cb 0.07 -0.37 0.02 0.00 -0.63 0.00 0.00 43.02 42.11 3pbg s PHE 293 CO 0.91 -0.67 -0.09 -1.17 -0.05 0.00 0.00 175.22 174.15 3pbg s LEU 294 N -3.09 1.30 -0.31 -1.99 1.98 0.39 -3.62 118.68 113.33 3pbg s LEU 294 Ca 0.31 -0.31 -0.16 0.00 -2.89 0.00 0.00 54.13 51.07 3pbg s LEU 294 Cb 0.06 -0.86 -0.02 0.00 0.66 0.00 0.00 46.19 46.02 3pbg s LEU 294 CO 0.08 -0.09 0.41 -0.83 -1.89 0.00 0.00 176.35 174.03 3pbg s GLY 295 N 1.51 1.87 -0.21 7.98 0.00 0.20 -1.13 107.32 117.55 3pbg s GLY 295 Ca 0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.65 3pbg s GLY 295 CO -0.06 1.06 0.18 -0.42 0.00 0.00 0.00 173.10 173.86 3pbg s ILE 296 N 2.14 5.37 -0.13 0.90 1.01 -0.50 -0.51 121.20 129.47 3pbg s ILE 296 Ca 0.15 0.27 -0.05 0.00 0.00 0.00 0.00 60.65 61.02 3pbg s ILE 296 Cb -0.16 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3pbg s ILE 296 CO 0.11 0.39 0.07 0.20 0.00 0.00 0.00 174.94 175.71 3pbg s ASN 297 N 0.62 5.75 -0.20 3.58 -0.87 0.14 -1.76 114.94 122.21 3pbg s ASN 297 Ca 0.10 0.23 -0.12 0.00 -1.57 0.00 0.00 52.86 51.50 3pbg s ASN 297 Cb -0.12 -1.84 0.06 0.00 -0.02 0.00 0.00 41.25 39.33 3pbg s ASN 297 CO 0.01 0.32 0.49 -0.47 -2.57 0.00 0.00 177.10 174.88 3pbg s TYR 298 N -0.50 -0.69 0.00 2.20 6.14 -0.41 -2.26 117.35 121.83 3pbg s TYR 298 Ca 0.10 1.48 0.00 0.00 0.64 0.00 0.00 57.07 59.29 3pbg s TYR 298 Cb -0.12 0.33 0.00 0.00 0.42 0.00 0.00 41.96 42.60 3pbg s TYR 298 CO 0.02 -0.37 0.00 0.66 0.64 0.00 0.00 175.55 176.50 3pbg n TYR 299 N 4.02 0.00 -4.14 4.97 4.02 -1.26 -4.24 117.16 120.53 3pbg n TYR 299 Ca -0.21 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.53 3pbg n TYR 299 Cb 0.56 0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.94 3pbg n TYR 299 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3pbg s MET 300 N -1.61 1.76 0.28 -0.72 0.23 -1.26 -4.70 119.30 113.28 3pbg s MET 300 Ca 0.00 -1.76 0.05 0.00 -1.03 0.00 0.00 55.69 52.95 3pbg s MET 300 Cb 0.00 0.40 -0.06 0.00 -1.53 0.00 0.00 34.83 33.64 3pbg s MET 300 CO 0.00 -0.70 -0.02 -1.12 -2.03 0.00 0.00 175.02 171.16 3pbg s SER 301 N -3.24 2.47 0.02 -1.18 0.01 -1.26 -3.89 113.70 106.63 3pbg s SER 301 Ca 0.33 -1.25 0.01 0.00 1.31 0.00 0.00 55.95 56.35 3pbg s SER 301 Cb 0.01 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 3pbg s SER 301 CO 0.20 -0.45 -0.04 -1.81 0.41 0.00 0.00 173.24 171.55 3pbg s ASP 302 N -3.43 0.38 -0.16 2.44 1.01 -0.03 -4.63 116.67 112.26 3pbg s ASP 302 Ca 0.31 -0.41 -0.02 0.00 0.71 0.00 0.00 52.55 53.15 3pbg s ASP 302 Cb 0.06 0.06 -0.02 0.00 1.01 0.00 0.00 42.92 44.03 3pbg s ASP 302 CO 0.12 -0.20 -0.09 0.26 0.21 0.00 0.00 175.17 175.47 3pbg s TRP 303 N -1.12 2.90 0.05 4.23 0.51 -1.25 -0.12 118.94 124.14 3pbg s TRP 303 Ca -0.11 -0.63 0.03 0.00 -2.12 0.00 0.00 56.10 53.27 3pbg s TRP 303 Cb -0.08 -1.93 -0.04 0.00 -0.81 0.00 0.00 33.47 30.61 3pbg s TRP 303 CO -0.00 -0.24 0.04 -1.64 -0.51 0.00 0.00 176.95 174.59 3pbg s MET 304 N 0.60 2.80 0.02 4.98 -1.94 0.84 -1.82 119.30 124.78 3pbg s MET 304 Ca -0.06 -0.67 0.02 0.00 -1.71 0.00 0.00 55.69 53.27 3pbg s MET 304 Cb -0.15 -2.69 -0.02 0.00 2.01 0.00 0.00 34.83 33.99 3pbg s MET 304 CO 0.03 0.59 -0.06 -1.14 -0.01 0.00 0.00 175.02 174.43 3pbg s GLN 305 N -2.04 0.43 0.83 2.03 0.74 0.60 0.19 119.66 122.43 3pbg s GLN 305 Ca 0.25 -0.50 -0.13 0.00 0.05 0.00 0.00 55.36 55.03 3pbg s GLN 305 Cb -0.12 -0.25 0.09 0.00 1.10 0.00 0.00 33.01 33.82 3pbg s GLN 305 CO 0.17 0.05 1.14 0.00 -0.55 0.00 0.00 175.29 176.10 3pbg n ALA 306 N 2.07 -0.30 -3.64 1.58 0.00 -1.26 0.38 120.51 119.33 3pbg n ALA 306 Ca -0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 3pbg n ALA 306 Cb 0.56 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.74 3pbg n ALA 306 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3pbg s PHE 307 N -2.20 -0.51 -0.46 0.00 5.36 -1.26 -4.47 117.98 114.44 3pbg s PHE 307 Ca 0.72 1.03 0.03 0.00 -0.96 0.00 0.00 56.93 57.75 3pbg s PHE 307 Cb -0.28 0.31 0.12 0.00 -0.34 0.00 0.00 43.02 42.84 3pbg s PHE 307 CO 0.53 -0.25 0.21 0.16 -1.46 0.00 0.00 175.22 174.40 3pbg s ASP 308 N 1.27 4.22 0.05 6.13 -4.77 -1.26 -4.21 116.67 118.10 3pbg s ASP 308 Ca -0.09 -2.70 -0.02 0.00 -3.30 0.00 0.00 52.55 46.44 3pbg s ASP 308 Cb -0.04 -1.46 0.01 0.00 -1.09 0.00 0.00 42.92 40.35 3pbg s ASP 308 CO -0.14 -0.27 0.13 0.61 0.70 0.00 0.00 175.17 176.19 3pbg n GLY 309 N 3.50 1.67 3.76 2.12 0.00 -1.26 -5.08 105.19 109.90 3pbg n GLY 309 Ca 0.05 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 3pbg n GLY 309 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbg s GLU 310 N -2.01 4.64 0.35 1.61 0.41 -1.26 -4.18 118.70 118.26 3pbg s GLU 310 Ca 0.03 1.51 -0.27 0.00 -0.41 0.00 0.00 54.97 55.83 3pbg s GLU 310 Cb -0.01 -3.02 -0.09 0.00 -1.78 0.00 0.00 34.13 29.23 3pbg s GLU 310 CO 0.02 0.30 1.14 -0.08 -0.49 0.00 0.00 175.26 176.15 3pbg s THR 311 N -1.37 3.30 -0.26 3.63 -1.32 -1.26 -4.74 115.64 113.61 3pbg s THR 311 Ca 0.47 1.17 -0.13 0.00 -1.21 0.00 0.00 61.69 61.99 3pbg s THR 311 Cb -0.24 -3.69 0.09 0.00 -1.51 0.00 0.00 72.50 67.14 3pbg s THR 311 CO 0.31 0.18 0.62 -0.70 -2.21 0.00 0.00 174.62 172.82 3pbg s GLU 312 N -1.97 0.61 -0.07 7.08 2.12 -0.43 -4.97 118.70 121.07 3pbg s GLU 312 Ca 0.52 1.21 0.03 0.00 0.36 0.00 0.00 54.97 57.09 3pbg s GLU 312 Cb -0.31 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.40 3pbg s GLU 312 CO 0.40 -0.17 -0.14 0.42 -0.54 0.00 0.00 175.26 175.22 3pbg s ILE 313 N 1.97 1.28 -0.05 -3.70 1.01 -1.26 -2.01 121.20 118.45 3pbg s ILE 313 Ca -0.08 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3pbg s ILE 313 Cb -0.08 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.25 3pbg s ILE 313 CO -0.18 0.39 -0.13 -0.63 0.00 0.00 0.00 174.94 174.38 3pbg s ILE 314 N 0.53 1.14 -0.18 2.92 1.01 0.12 -4.97 121.20 121.77 3pbg s ILE 314 Ca -0.14 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 3pbg s ILE 314 Cb -0.15 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 3pbg s ILE 314 CO 0.04 0.35 0.08 -2.28 0.00 0.00 0.00 174.94 173.13 3pbg s HIS 315 N 0.38 3.31 -0.73 3.97 5.65 -1.26 -2.27 115.29 124.33 3pbg s HIS 315 Ca -0.09 0.16 -0.22 0.00 0.25 0.00 0.00 55.06 55.16 3pbg s HIS 315 Cb -0.13 -2.10 0.08 0.00 -1.18 0.00 0.00 32.58 29.25 3pbg s HIS 315 CO 0.03 0.22 1.04 1.21 -0.65 0.00 0.00 174.74 176.58 3pbg s ASN 316 N 0.31 6.27 -0.18 9.88 2.47 -1.26 -4.82 114.94 127.61 3pbg s ASN 316 Ca 0.05 -1.17 0.13 0.00 0.42 0.00 0.00 52.86 52.29 3pbg s ASN 316 Cb -0.12 -2.43 -0.23 0.00 -1.45 0.00 0.00 41.25 37.02 3pbg s ASN 316 CO -0.00 -1.40 0.12 0.61 -3.72 0.00 0.00 177.10 172.70 3pbg n GLY 317 N 5.44 -0.86 0.04 1.21 0.00 -1.26 -4.33 105.19 105.43 3pbg n GLY 317 Ca 0.04 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.95 3pbg n GLY 317 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3pbg n LYS 318 N -2.92 0.66 -2.81 1.61 4.76 -1.26 -4.44 118.16 113.75 3pbg n LYS 318 Ca -0.33 -0.09 -0.07 0.00 -2.87 0.00 0.00 58.31 54.95 3pbg n LYS 318 Cb 1.11 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.82 3pbg n LYS 318 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3pbg n GLY 319 N 1.22 0.50 3.38 0.72 0.00 -1.26 -4.98 105.19 104.77 3pbg n GLY 319 Ca 0.17 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.33 3pbg n GLY 319 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbg s GLU 320 N -5.36 3.05 0.02 1.61 2.02 -1.14 -4.60 118.70 114.30 3pbg s GLU 320 Ca 0.17 -1.31 -0.38 0.00 0.02 0.00 0.00 54.97 53.47 3pbg s GLU 320 Cb -0.07 -4.26 -0.17 0.00 0.10 0.00 0.00 34.13 29.73 3pbg s GLU 320 CO 0.21 -1.51 1.32 1.17 0.02 0.00 0.00 175.26 176.48 3pbg n LYS 321 N 6.26 0.88 0.00 1.61 4.81 -1.05 -1.60 118.16 129.07 3pbg n LYS 321 Ca -0.10 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3pbg n LYS 321 Cb 0.42 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.54 3pbg n LYS 321 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3pbg n GLY 322 N 2.49 1.28 0.00 3.14 0.00 -1.26 -4.94 105.19 105.89 3pbg n GLY 322 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3pbg n GLY 322 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3pbg n SER 323 N 0.00 0.00 -4.79 1.61 3.41 -0.63 -4.86 113.62 108.36 3pbg n SER 323 Ca 0.00 -0.65 -0.36 0.00 -0.26 0.00 0.00 58.87 57.60 3pbg n SER 323 Cb 0.00 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 3pbg n SER 323 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3pbg s SER 324 N -2.11 7.08 -0.10 4.04 0.01 -1.26 -4.60 113.70 116.76 3pbg s SER 324 Ca 0.35 1.86 -0.07 0.00 1.31 0.00 0.00 55.95 59.40 3pbg s SER 324 Cb 0.17 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.87 3pbg s SER 324 CO 0.31 -0.25 0.25 -0.75 0.41 0.00 0.00 173.24 173.20 3pbg s LYS 325 N -2.44 0.24 -0.27 12.44 2.20 -0.96 -4.96 119.74 125.99 3pbg s LYS 325 Ca 0.55 0.47 -0.04 0.00 -0.36 0.00 0.00 55.97 56.59 3pbg s LYS 325 Cb -0.17 -0.02 0.15 0.00 -1.51 0.00 0.00 37.83 36.28 3pbg s LYS 325 CO 0.22 -0.12 0.51 -0.47 -0.36 0.00 0.00 175.35 175.13 3pbg s TYR 326 N 0.85 -1.20 -0.12 4.03 6.14 -1.24 0.14 117.35 125.94 3pbg s TYR 326 Ca -0.06 1.48 -0.08 0.00 0.64 0.00 0.00 57.07 59.05 3pbg s TYR 326 Cb -0.07 0.38 0.04 0.00 0.42 0.00 0.00 41.96 42.74 3pbg s TYR 326 CO -0.05 -0.74 0.31 1.14 0.64 0.00 0.00 175.55 176.84 3pbg s GLN 327 N 2.73 0.31 -0.09 4.97 -2.07 -0.85 -1.58 119.66 123.07 3pbg s GLN 327 Ca 0.11 0.55 0.01 0.00 -1.82 0.00 0.00 55.36 54.22 3pbg s GLN 327 Cb -0.14 0.02 0.02 0.00 -1.09 0.00 0.00 33.01 31.81 3pbg s GLN 327 CO -0.18 -0.11 -0.12 0.42 -1.32 0.00 0.00 175.29 173.97 3pbg s ILE 328 N 0.86 1.27 0.15 3.63 1.01 -0.32 -1.32 121.20 126.48 3pbg s ILE 328 Ca -0.06 -0.51 -0.34 0.00 0.00 0.00 0.00 60.65 59.75 3pbg s ILE 328 Cb -0.07 -1.18 -0.14 0.00 0.01 0.00 0.00 42.46 41.08 3pbg s ILE 328 CO -0.06 0.39 1.60 1.17 0.00 0.00 0.00 174.94 178.05 3pbg n LYS 329 N 4.24 2.20 0.00 2.79 4.81 -1.26 -0.59 118.16 130.34 3pbg n LYS 329 Ca -0.19 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 3pbg n LYS 329 Cb 0.51 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.99 3pbg n LYS 329 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3pbg n GLY 330 N 3.50 3.16 0.16 3.14 0.00 -1.26 -4.78 105.19 109.11 3pbg n GLY 330 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 3pbg n GLY 330 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3pbg n VAL 331 N -1.94 1.13 -0.35 1.61 0.31 0.24 -4.92 118.33 114.41 3pbg n VAL 331 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 3pbg n VAL 331 Cb 0.00 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 30.84 3pbg n VAL 331 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3pbg n GLY 332 N 1.66 -0.82 3.30 2.92 0.00 -0.61 -4.43 105.19 107.21 3pbg n GLY 332 Ca -0.10 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 3pbg n GLY 332 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3pbg s ARG 333 N -1.58 1.17 -0.09 1.61 1.70 0.16 -1.18 118.95 120.74 3pbg s ARG 333 Ca 0.00 -1.33 -0.24 0.00 -0.47 0.00 0.00 55.73 53.70 3pbg s ARG 333 Cb 0.00 -1.17 -0.03 0.00 -0.57 0.00 0.00 34.95 33.17 3pbg s ARG 333 CO 0.00 0.24 0.72 1.03 -1.08 0.00 0.00 175.30 176.20 3pbg s ARG 334 N -2.69 4.40 -0.20 3.89 0.52 -0.61 -0.29 118.95 123.96 3pbg s ARG 334 Ca 0.13 0.89 0.01 0.00 -0.52 0.00 0.00 55.73 56.23 3pbg s ARG 334 Cb -0.06 -3.48 0.05 0.00 0.52 0.00 0.00 34.95 31.98 3pbg s ARG 334 CO 0.05 -0.02 -0.08 0.08 0.02 0.00 0.00 175.30 175.35 3pbg s VAL 335 N 1.08 1.54 0.02 3.52 1.01 -0.76 -4.77 120.40 122.04 3pbg s VAL 335 Ca 0.37 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3pbg s VAL 335 Cb -0.17 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 3pbg s VAL 335 CO 0.17 0.09 1.48 0.00 0.00 0.00 0.00 175.10 176.84 3pbg s ALA 336 N 1.43 3.61 0.64 5.51 0.00 -1.26 -4.42 121.76 127.26 3pbg s ALA 336 Ca -0.02 0.97 -0.18 0.00 0.00 0.00 0.00 51.96 52.73 3pbg s ALA 336 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 3pbg s ALA 336 CO -0.08 -0.98 1.08 -2.30 0.00 0.00 0.00 175.76 173.49 3pbg n PRO 337 N 5.48 0.91 0.00 0.00 -0.02 -1.26 -4.93 135.00 135.18 3pbg n PRO 337 Ca 0.14 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3pbg n PRO 337 Cb 0.43 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3pbg n PRO 337 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3pbg n ASP 338 N -1.32 0.00 -2.15 2.55 8.00 -1.26 -3.87 116.55 118.50 3pbg n ASP 338 Ca 0.15 0.95 -0.27 0.00 0.71 0.00 0.00 54.79 56.33 3pbg n ASP 338 Cb 0.48 -0.45 0.12 0.00 -0.02 0.00 0.00 41.12 41.25 3pbg n ASP 338 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3pbg n TYR 339 N -2.42 2.92 -3.57 1.24 4.01 -1.26 -4.96 117.16 113.12 3pbg n TYR 339 Ca 0.00 -2.39 -0.38 0.00 -0.16 0.00 0.00 57.90 54.97 3pbg n TYR 339 Cb 0.00 -1.09 -0.06 0.00 -0.31 0.00 0.00 39.34 37.88 3pbg n TYR 339 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3pbg s VAL 340 N -4.09 5.12 0.53 -0.72 -7.23 -1.25 -5.06 120.40 107.70 3pbg s VAL 340 Ca 0.59 0.72 -0.22 0.00 -1.81 0.00 0.00 61.98 61.26 3pbg s VAL 340 Cb 0.48 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.72 3pbg s VAL 340 CO 0.04 0.58 1.33 -2.84 -0.31 0.00 0.00 175.10 173.90 3pbg s PRO 341 N -1.04 3.22 -0.12 4.82 0.02 -1.26 -4.88 135.00 135.77 3pbg s PRO 341 Ca 0.22 2.17 -0.23 0.00 0.02 0.00 0.00 61.00 63.18 3pbg s PRO 341 Cb -0.16 -2.28 0.05 0.00 0.02 0.00 0.00 34.50 32.14 3pbg s PRO 341 CO 0.12 -1.10 0.55 -0.98 -0.33 0.00 0.00 177.00 175.26 3pbg s ARG 342 N -2.88 0.80 1.07 5.54 1.70 -1.26 -0.76 118.95 123.16 3pbg s ARG 342 Ca 0.70 0.40 -0.16 0.00 -0.47 0.00 0.00 55.73 56.21 3pbg s ARG 342 Cb -0.39 0.38 0.22 0.00 -0.57 0.00 0.00 34.95 34.60 3pbg s ARG 342 CO 0.46 -0.19 1.14 0.95 -1.08 0.00 0.00 175.30 176.58 3pbg s THR 343 N -0.56 1.82 -0.84 4.99 -4.23 -1.07 -4.87 115.64 110.88 3pbg s THR 343 Ca -0.07 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.59 3pbg s THR 343 Cb -0.03 -2.62 0.14 0.00 1.34 0.00 0.00 72.50 71.33 3pbg s THR 343 CO 0.05 0.00 1.47 0.47 -0.54 0.00 0.00 174.62 176.07 3pbg n ASP 344 N -4.30 0.18 -1.12 3.99 8.00 -1.26 -1.12 116.55 120.93 3pbg n ASP 344 Ca 0.10 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.27 3pbg n ASP 344 Cb 0.59 -0.59 0.24 0.00 -0.02 0.00 0.00 41.12 41.34 3pbg n ASP 344 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3pbg n TRP 345 N -1.71 0.51 -1.69 1.24 8.01 -1.26 -2.53 117.44 120.01 3pbg n TRP 345 Ca 0.02 -0.25 -0.07 0.00 -1.31 0.00 0.00 57.50 55.89 3pbg n TRP 345 Cb 0.15 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.44 3pbg n TRP 345 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3pbg n ASP 346 N 1.41 -3.13 -4.50 -0.99 8.00 -0.27 -4.81 116.55 112.25 3pbg n ASP 346 Ca 0.19 0.07 -0.43 0.00 0.71 0.00 0.00 54.79 55.34 3pbg n ASP 346 Cb 0.58 -1.89 -0.05 0.00 -0.02 0.00 0.00 41.12 39.74 3pbg n ASP 346 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3pbg s TRP 347 N -2.29 2.94 0.23 1.24 0.52 -1.26 -4.83 118.94 115.49 3pbg s TRP 347 Ca 0.00 -0.18 -0.31 0.00 0.02 0.00 0.00 56.10 55.63 3pbg s TRP 347 Cb 0.00 -3.74 -0.11 0.00 -1.15 0.00 0.00 33.47 28.47 3pbg s TRP 347 CO 0.00 -1.13 1.62 0.42 0.02 0.00 0.00 176.95 177.88 3pbg s ILE 348 N 3.26 2.24 -0.54 2.03 1.01 -1.26 -2.60 121.20 125.33 3pbg s ILE 348 Ca 0.24 0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.88 3pbg s ILE 348 Cb -0.15 -3.12 0.07 0.00 0.01 0.00 0.00 42.46 39.27 3pbg s ILE 348 CO 0.17 0.02 0.70 -0.63 0.00 0.00 0.00 174.94 175.20 3pbg s ILE 349 N 0.65 4.78 -0.39 2.92 1.01 0.06 -4.08 121.20 126.15 3pbg s ILE 349 Ca 0.68 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.84 3pbg s ILE 349 Cb -0.47 -4.39 0.16 0.00 0.01 0.00 0.00 42.46 37.77 3pbg s ILE 349 CO 0.38 -0.95 0.34 -0.47 0.00 0.00 0.00 174.94 174.23 3pbg s TYR 350 N 2.87 0.39 0.27 3.97 5.04 -1.26 -4.48 117.35 124.15 3pbg s TYR 350 Ca 0.16 -1.57 -0.01 0.00 -2.44 0.00 0.00 57.07 53.22 3pbg s TYR 350 Cb -0.20 -0.68 0.57 0.00 0.35 0.00 0.00 41.96 42.00 3pbg s TYR 350 CO 0.11 -0.90 1.73 -1.35 -1.34 0.00 0.00 175.55 173.80 3pbg h PRO 351 N 6.42 0.48 0.00 4.97 0.11 -1.93 -1.26 132.00 140.79 3pbg h PRO 351 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3pbg h PRO 351 Cb 0.98 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3pbg h PRO 351 CO 0.26 0.32 0.00 1.49 -0.21 0.00 0.00 178.00 179.86 3pbg h GLU 352 N 0.49 0.00 -0.74 1.05 4.57 -1.96 -2.17 114.58 115.82 3pbg h GLU 352 Ca 0.48 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.64 3pbg h GLU 352 Cb 0.77 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 3pbg h GLU 352 CO -0.43 0.00 0.42 0.78 -1.18 0.00 0.00 179.01 178.60 3pbg h GLY 353 N 0.10 1.11 0.82 1.92 0.00 -1.65 -2.19 103.07 103.18 3pbg h GLY 353 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.84 3pbg h GLY 353 CO 0.00 0.47 -0.12 -2.00 0.00 0.00 0.00 176.54 174.89 3pbg h LEU 354 N 1.03 -0.33 -0.43 3.11 5.85 -1.57 -1.68 115.31 121.28 3pbg h LEU 354 Ca 0.26 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.09 3pbg h LEU 354 Cb 0.02 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3pbg h LEU 354 CO -0.04 -0.19 0.08 0.22 -0.34 0.00 0.00 178.44 178.17 3pbg h TYR 355 N -0.26 0.12 -0.99 1.25 5.03 -1.62 -1.24 116.97 119.27 3pbg h TYR 355 Ca 0.01 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.38 3pbg h TYR 355 Cb 0.26 0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.50 3pbg h TYR 355 CO -0.13 -0.00 0.65 -0.44 -1.32 0.00 0.00 178.16 176.91 3pbg h ASP 356 N 0.21 1.09 -0.64 -2.11 5.19 -1.08 -1.71 116.42 117.38 3pbg h ASP 356 Ca 0.21 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.54 3pbg h ASP 356 Cb 0.27 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 3pbg h ASP 356 CO -0.29 0.76 0.14 1.56 -3.12 0.00 0.00 179.24 178.29 3pbg h GLN 357 N 1.28 1.03 0.55 3.56 1.08 -0.35 -1.23 115.11 121.03 3pbg h GLN 357 Ca 0.38 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3pbg h GLN 357 Cb -0.05 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.26 3pbg h GLN 357 CO -0.11 0.94 -0.26 0.82 -0.95 0.00 0.00 178.83 179.27 3pbg h ILE 358 N 0.95 0.43 -0.09 2.54 2.04 -0.81 -0.43 117.51 122.15 3pbg h ILE 358 Ca 0.20 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3pbg h ILE 358 Cb 0.39 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3pbg h ILE 358 CO 0.01 0.03 0.05 0.24 0.00 0.00 0.00 178.15 178.48 3pbg h MET 359 N -0.84 0.11 0.34 2.37 2.86 -1.33 0.18 114.93 118.62 3pbg h MET 359 Ca -0.07 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3pbg h MET 359 Cb 0.61 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3pbg h MET 359 CO 0.12 0.08 -0.16 -0.09 1.06 0.00 0.00 176.91 177.92 3pbg h ARG 360 N 0.12 -0.44 0.07 1.72 1.12 -0.96 -0.57 114.38 115.45 3pbg h ARG 360 Ca 0.03 0.03 0.02 0.00 -1.11 0.00 0.00 59.98 58.96 3pbg h ARG 360 Cb -0.01 0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.01 3pbg h ARG 360 CO -0.01 -0.13 -0.28 0.28 -3.11 0.00 0.00 179.97 176.73 3pbg h VAL 361 N -0.76 0.39 -1.00 0.20 2.07 -0.48 0.15 116.25 116.81 3pbg h VAL 361 Ca -0.05 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.71 3pbg h VAL 361 Cb 0.51 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 3pbg h VAL 361 CO 0.08 0.00 0.64 0.50 0.02 0.00 0.00 177.57 178.81 3pbg h LYS 362 N -0.46 0.46 0.00 1.57 3.64 -0.64 0.25 116.57 121.38 3pbg h LYS 362 Ca 0.04 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 3pbg h LYS 362 Cb 0.51 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3pbg h LYS 362 CO -0.19 0.30 -1.36 -0.91 -2.27 0.00 0.00 179.45 175.02 3pbg h ASN 363 N 0.47 0.00 0.32 4.20 2.35 -0.30 -3.35 115.58 119.27 3pbg h ASN 363 Ca 0.57 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 56.00 3pbg h ASN 363 Cb 1.32 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.65 3pbg h ASN 363 CO -0.30 0.72 -1.89 0.47 -1.65 0.00 0.00 177.43 174.78 3pbg n ASP 364 N -3.01 1.18 -3.57 5.81 9.92 0.44 -4.67 116.55 122.65 3pbg n ASP 364 Ca -0.09 0.30 -0.28 0.00 -0.53 0.00 0.00 54.79 54.18 3pbg n ASP 364 Cb 0.89 -0.19 -0.11 0.00 -0.64 0.00 0.00 41.12 41.07 3pbg n ASP 364 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3pbg s TYR 365 N -2.57 1.91 0.45 1.24 2.02 0.76 -4.97 117.35 116.20 3pbg s TYR 365 Ca -0.11 -2.63 0.39 0.00 -0.37 0.00 0.00 57.07 54.35 3pbg s TYR 365 Cb 0.07 -1.54 2.13 0.00 -0.40 0.00 0.00 41.96 42.22 3pbg s TYR 365 CO 0.80 -0.74 2.20 -1.35 -1.57 0.00 0.00 175.55 174.90 3pbg h PRO 366 N 5.68 0.00 -0.51 -1.71 0.11 -1.75 -1.73 132.00 132.09 3pbg h PRO 366 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3pbg h PRO 366 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3pbg h PRO 366 CO 0.48 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.54 3pbg n ASN 367 N -2.88 1.04 0.24 -2.05 6.94 -1.26 -4.02 115.26 113.27 3pbg n ASN 367 Ca -0.03 -2.06 0.07 0.00 -0.02 0.00 0.00 54.58 52.55 3pbg n ASN 367 Cb 0.06 -0.29 0.58 0.00 -2.36 0.00 0.00 39.78 37.77 3pbg n ASN 367 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3pbg h TYR 368 N 0.53 0.00 0.00 -2.53 -0.00 -1.68 -3.46 116.97 109.84 3pbg h TYR 368 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3pbg h TYR 368 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.13 3pbg h TYR 368 CO 0.10 0.12 0.00 1.63 -0.00 0.00 0.00 178.16 180.01 3pbg n LYS 369 N -4.32 0.00 -3.80 0.10 5.02 -1.26 -4.40 118.16 109.50 3pbg n LYS 369 Ca -0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 3pbg n LYS 369 Cb 0.19 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.08 3pbg n LYS 369 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3pbg s LYS 370 N 0.00 0.21 -0.05 1.97 2.20 -1.25 -4.81 119.74 118.02 3pbg s LYS 370 Ca 0.00 0.28 0.05 0.00 -0.36 0.00 0.00 55.97 55.94 3pbg s LYS 370 Cb 0.00 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 3pbg s LYS 370 CO 0.00 -0.04 -0.18 0.42 -0.36 0.00 0.00 175.35 175.19 3pbg s ILE 371 N 0.21 2.75 -0.05 5.43 1.01 0.73 -0.46 121.20 130.82 3pbg s ILE 371 Ca -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3pbg s ILE 371 Cb -0.02 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.40 3pbg s ILE 371 CO -0.01 0.58 -0.13 -0.31 0.00 0.00 0.00 174.94 175.08 3pbg s TYR 372 N -0.59 1.44 -0.70 3.97 2.02 -0.28 -1.12 117.35 122.09 3pbg s TYR 372 Ca 0.08 -0.47 -0.24 0.00 -0.37 0.00 0.00 57.07 56.08 3pbg s TYR 372 Cb -0.11 -1.02 0.06 0.00 -0.40 0.00 0.00 41.96 40.49 3pbg s TYR 372 CO 0.01 -0.21 1.08 0.42 -1.57 0.00 0.00 175.55 175.28 3pbg s ILE 373 N 0.38 4.15 -0.77 2.71 -1.09 0.20 -1.42 121.20 125.35 3pbg s ILE 373 Ca -0.09 -0.20 0.26 0.00 -2.23 0.00 0.00 60.65 58.40 3pbg s ILE 373 Cb -0.13 -4.77 0.28 0.00 -1.58 0.00 0.00 42.46 36.26 3pbg s ILE 373 CO 0.03 -1.59 1.80 0.35 -1.23 0.00 0.00 174.94 174.29 3pbg n THR 374 N 6.07 0.51 -3.66 2.92 -2.24 -0.72 0.12 114.28 117.28 3pbg n THR 374 Ca 0.00 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 3pbg n THR 374 Cb 0.47 -0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 68.02 3pbg n THR 374 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3pbg s GLU 375 N -3.09 0.62 -0.30 -0.78 2.02 -1.21 -4.64 118.70 111.33 3pbg s GLU 375 Ca 0.11 1.10 -0.16 0.00 0.02 0.00 0.00 54.97 56.03 3pbg s GLU 375 Cb 0.13 0.10 0.18 0.00 0.10 0.00 0.00 34.13 34.64 3pbg s GLU 375 CO 0.58 -0.15 1.11 1.21 0.02 0.00 0.00 175.26 178.02 3pbg s ASN 376 N 1.53 -0.32 -0.02 -0.19 3.04 -1.20 -1.29 114.94 116.49 3pbg s ASN 376 Ca -0.10 0.49 -0.18 0.00 0.04 0.00 0.00 52.86 53.12 3pbg s ASN 376 Cb -0.06 1.20 0.06 0.00 -1.54 0.00 0.00 41.25 40.91 3pbg s ASN 376 CO -0.17 -0.08 0.82 0.61 -3.04 0.00 0.00 177.10 175.25 3pbg n GLY 377 N 3.77 0.34 2.91 1.21 0.00 -1.26 -0.88 105.19 111.27 3pbg n GLY 377 Ca -0.15 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 3pbg n GLY 377 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pbg s LEU 378 N 0.00 1.21 -0.29 0.99 2.96 -1.26 -4.96 118.68 117.33 3pbg s LEU 378 Ca 0.19 -0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 3pbg s LEU 378 Cb -0.00 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 3pbg s LEU 378 CO -0.01 -0.10 0.20 -0.83 -1.32 0.00 0.00 176.35 174.29 3pbg s GLY 379 N 1.56 1.93 0.26 7.98 0.00 -1.26 -4.44 107.32 113.35 3pbg s GLY 379 Ca 0.02 -1.16 -0.09 0.00 0.00 0.00 0.00 44.72 43.48 3pbg s GLY 379 CO -0.06 0.67 0.43 -2.52 0.00 0.00 0.00 173.10 171.62 3pbg s TYR 380 N 1.74 0.59 -1.01 1.90 -0.85 -0.77 -4.86 117.35 114.09 3pbg s TYR 380 Ca 0.07 -0.92 -0.21 0.00 -0.52 0.00 0.00 57.07 55.49 3pbg s TYR 380 Cb -0.16 0.04 0.09 0.00 0.38 0.00 0.00 41.96 42.31 3pbg s TYR 380 CO 0.10 -0.97 1.34 0.21 -1.52 0.00 0.00 175.55 174.71 3pbg s LYS 381 N -3.86 3.63 0.60 -3.49 2.47 -1.26 -2.60 119.74 115.23 3pbg s LYS 381 Ca 0.26 -1.46 -0.19 0.00 -1.56 0.00 0.00 55.97 53.02 3pbg s LYS 381 Cb 0.00 -5.19 -0.04 0.00 -1.46 0.00 0.00 37.83 31.14 3pbg s LYS 381 CO 0.11 -2.03 1.07 -0.25 0.16 0.00 0.00 175.35 174.41 3pbg n ASP 382 N 7.86 1.24 -4.22 1.43 9.92 -1.26 -4.97 116.55 126.55 3pbg n ASP 382 Ca 0.31 0.84 -0.36 0.00 -0.53 0.00 0.00 54.79 55.04 3pbg n ASP 382 Cb 0.50 -1.44 -0.13 0.00 -0.64 0.00 0.00 41.12 39.41 3pbg n ASP 382 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3pbg s GLU 383 N -2.85 2.56 -0.29 -1.24 2.12 -1.26 -5.07 118.70 112.67 3pbg s GLU 383 Ca 0.76 -1.19 -0.29 0.00 0.36 0.00 0.00 54.97 54.61 3pbg s GLU 383 Cb -0.42 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 30.71 3pbg s GLU 383 CO 0.46 -0.61 1.31 0.12 -0.54 0.00 0.00 175.26 176.01 3pbg s PHE 384 N 1.32 2.67 -0.06 5.30 5.36 -1.26 -4.49 117.98 126.81 3pbg s PHE 384 Ca -0.03 0.86 -0.06 0.00 -0.96 0.00 0.00 56.93 56.73 3pbg s PHE 384 Cb -0.19 -3.90 0.02 0.00 -0.34 0.00 0.00 43.02 38.60 3pbg s PHE 384 CO 0.00 -1.76 0.18 0.14 -1.46 0.00 0.00 175.22 172.32 3pbg s VAL 385 N 4.39 0.00 -1.73 3.12 -7.23 -0.52 -4.88 120.40 113.55 3pbg s VAL 385 Ca 0.57 -0.04 -0.00 0.00 -1.81 0.00 0.00 61.98 60.70 3pbg s VAL 385 Cb -0.17 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.50 3pbg s VAL 385 CO 0.23 -0.02 0.01 0.47 -0.31 0.00 0.00 175.10 175.48 3pbg n ASP 386 N 2.89 -5.79 -1.66 4.85 8.00 -1.26 -1.07 116.55 122.52 3pbg n ASP 386 Ca -0.13 -0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.21 3pbg n ASP 386 Cb 0.59 -4.82 -0.02 0.00 -0.02 0.00 0.00 41.12 36.84 3pbg n ASP 386 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3pbg n ASN 387 N -2.01 -4.75 -0.76 -2.24 4.13 -1.26 -4.95 115.26 103.42 3pbg n ASN 387 Ca -0.24 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.10 3pbg n ASN 387 Cb 0.68 -3.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.11 3pbg n ASN 387 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3pbg n THR 388 N -3.68 0.00 -3.69 3.41 -1.04 -0.23 -4.58 114.28 104.48 3pbg n THR 388 Ca -0.18 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.72 3pbg n THR 388 Cb 0.61 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.01 3pbg n THR 388 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3pbg s VAL 389 N -2.35 -0.22 -1.30 12.58 1.01 -1.26 -1.44 120.40 127.41 3pbg s VAL 389 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 3pbg s VAL 389 Cb 0.00 -0.55 0.15 0.00 0.00 0.00 0.00 36.38 35.98 3pbg s VAL 389 CO 0.00 0.06 1.97 -1.22 0.00 0.00 0.00 175.10 175.92 3pbg n TYR 390 N 4.67 2.90 -0.88 5.22 4.02 -1.26 -1.51 117.16 130.32 3pbg n TYR 390 Ca -0.18 -2.80 -0.18 0.00 -0.01 0.00 0.00 57.90 54.73 3pbg n TYR 390 Cb 0.53 -1.97 -0.09 0.00 -0.02 0.00 0.00 39.34 37.79 3pbg n TYR 390 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3pbg n ASP 391 N 3.70 5.25 0.00 7.72 5.75 -1.26 -4.55 116.55 133.16 3pbg n ASP 391 Ca 0.44 -2.34 0.10 0.00 -0.01 0.00 0.00 54.79 52.98 3pbg n ASP 391 Cb 0.35 -1.20 0.53 0.00 -1.03 0.00 0.00 41.12 39.77 3pbg n ASP 391 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3pbg h ASP 392 N 4.50 0.29 -0.65 -1.12 3.32 -1.98 0.78 116.42 121.56 3pbg h ASP 392 Ca 0.37 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 3pbg h ASP 392 Cb 0.78 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 3pbg h ASP 392 CO 0.84 0.19 0.10 1.23 -1.72 0.00 0.00 179.24 179.88 3pbg h GLY 393 N 0.33 1.16 0.83 2.75 0.00 -2.00 -0.69 103.07 105.45 3pbg h GLY 393 Ca 0.20 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 3pbg h GLY 393 CO -0.04 0.72 0.03 -0.09 0.00 0.00 0.00 176.54 177.16 3pbg h ARG 394 N 0.99 0.25 -0.86 4.80 2.43 -1.28 -1.13 114.38 119.59 3pbg h ARG 394 Ca 0.20 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.40 3pbg h ARG 394 Cb 0.45 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 3pbg h ARG 394 CO 0.01 0.41 0.56 0.82 -1.51 0.00 0.00 179.97 180.26 3pbg h ILE 395 N 0.05 0.96 -0.02 1.20 2.04 -1.03 -0.58 117.51 120.14 3pbg h ILE 395 Ca 0.05 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3pbg h ILE 395 Cb 0.27 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3pbg h ILE 395 CO 0.00 0.15 0.00 -0.78 0.00 0.00 0.00 178.15 177.53 3pbg h ASP 396 N 0.84 0.03 0.02 1.72 3.58 -0.43 0.19 116.42 122.37 3pbg h ASP 396 Ca 0.40 -0.28 0.03 0.00 0.42 0.00 0.00 57.03 57.59 3pbg h ASP 396 Cb 0.41 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 3pbg h ASP 396 CO -0.16 0.31 -0.23 0.22 -2.88 0.00 0.00 179.24 176.49 3pbg h TYR 397 N -0.25 -0.63 0.10 0.28 5.03 -0.42 -0.89 116.97 120.19 3pbg h TYR 397 Ca 0.01 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3pbg h TYR 397 Cb 0.29 0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 3pbg h TYR 397 CO 0.02 -0.33 -0.09 0.28 -1.32 0.00 0.00 178.16 176.73 3pbg h VAL 398 N -0.38 0.80 -0.90 1.81 2.07 -1.11 -2.37 116.25 116.18 3pbg h VAL 398 Ca 0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.75 3pbg h VAL 398 Cb 0.45 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3pbg h VAL 398 CO -0.20 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.47 3pbg h LYS 399 N -0.20 0.56 -0.24 1.57 3.64 -0.13 -0.70 116.57 121.06 3pbg h LYS 399 Ca 0.00 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 3pbg h LYS 399 Cb 0.19 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3pbg h LYS 399 CO -0.02 0.37 -0.54 1.96 -2.27 0.00 0.00 179.45 178.95 3pbg h GLN 400 N 0.57 0.71 -0.02 1.90 4.20 -0.71 -2.42 115.11 119.34 3pbg h GLN 400 Ca 0.46 -0.44 -0.19 0.00 0.06 0.00 0.00 58.65 58.54 3pbg h GLN 400 Cb 0.91 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3pbg h GLN 400 CO -0.21 1.06 -0.82 0.45 -0.67 0.00 0.00 178.83 178.65 3pbg h HIS 401 N 0.55 0.33 -0.51 2.96 3.86 -0.67 -2.85 115.15 118.81 3pbg h HIS 401 Ca 0.01 -0.17 -0.12 0.00 -1.16 0.00 0.00 60.37 58.94 3pbg h HIS 401 Cb 1.11 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 3pbg h HIS 401 CO 0.06 0.95 -0.15 -0.07 0.86 0.00 0.00 177.93 179.58 3pbg h LEU 402 N 0.14 0.99 -1.16 2.43 3.38 -1.33 -1.85 115.31 117.91 3pbg h LEU 402 Ca -0.04 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3pbg h LEU 402 Cb 1.42 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 3pbg h LEU 402 CO 0.13 1.13 0.40 -0.33 0.09 0.00 0.00 178.44 179.85 3pbg h GLU 403 N 0.87 0.98 -0.04 1.13 5.08 -1.43 -0.68 114.58 120.48 3pbg h GLU 403 Ca 0.13 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3pbg h GLU 403 Cb 0.71 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3pbg h GLU 403 CO 0.05 0.71 -0.52 -0.24 -1.00 0.00 0.00 179.01 178.02 3pbg h VAL 404 N 0.99 1.36 -0.07 3.13 3.04 -1.21 -2.97 116.25 120.53 3pbg h VAL 404 Ca 0.25 -1.77 -0.02 0.00 -1.01 0.00 0.00 66.70 64.15 3pbg h VAL 404 Cb 0.01 1.91 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3pbg h VAL 404 CO -0.04 0.52 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.92 3pbg h LEU 405 N 0.09 0.16 -1.42 3.16 3.38 -0.54 -1.36 115.31 118.78 3pbg h LEU 405 Ca 0.00 -0.43 0.28 0.00 0.09 0.00 0.00 57.88 57.83 3pbg h LEU 405 Cb 0.94 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 3pbg h LEU 405 CO 0.07 0.55 0.69 -1.28 0.09 0.00 0.00 178.44 178.57 3pbg h SER 406 N -0.23 0.39 0.01 -0.43 0.87 -1.05 0.35 113.55 113.46 3pbg h SER 406 Ca 0.02 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 3pbg h SER 406 Cb 0.49 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3pbg h SER 406 CO 0.01 0.06 -0.40 0.44 -0.53 0.00 0.00 176.83 176.41 3pbg h ASP 407 N 0.34 0.34 -0.64 6.23 3.32 -1.35 -1.95 116.42 122.71 3pbg h ASP 407 Ca 0.61 -0.79 0.11 0.00 0.02 0.00 0.00 57.03 56.98 3pbg h ASP 407 Cb 1.64 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 41.00 3pbg h ASP 407 CO -0.28 1.09 0.20 0.00 -1.72 0.00 0.00 179.24 178.53 3pbg h ALA 408 N 0.25 0.82 0.43 3.45 0.00 0.46 0.25 119.26 124.92 3pbg h ALA 408 Ca -0.05 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3pbg h ALA 408 Cb 1.16 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3pbg h ALA 408 CO 0.08 -0.25 -0.21 0.82 0.00 0.00 0.00 179.25 179.69 3pbg h ILE 409 N 0.35 0.58 -0.40 0.00 2.04 -0.51 -0.70 117.51 118.87 3pbg h ILE 409 Ca 0.34 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 66.23 3pbg h ILE 409 Cb 0.48 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3pbg h ILE 409 CO -0.37 0.02 0.33 0.00 0.00 0.00 0.00 178.15 178.12 3pbg h ALA 410 N -0.06 2.25 -0.39 1.87 0.00 -0.50 0.23 119.26 122.66 3pbg h ALA 410 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3pbg h ALA 410 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3pbg h ALA 410 CO 0.10 -0.54 0.00 -0.25 0.00 0.00 0.00 179.25 178.56 3pbg n ASP 411 N -4.15 2.32 0.00 0.00 9.92 0.81 -4.90 116.55 120.55 3pbg n ASP 411 Ca 0.07 -2.06 0.00 0.00 -0.53 0.00 0.00 54.79 52.27 3pbg n ASP 411 Cb 0.52 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 3pbg n ASP 411 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pbg n GLY 412 N 1.04 0.97 3.75 0.44 0.00 0.07 -5.04 105.19 106.42 3pbg n GLY 412 Ca 0.14 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3pbg n GLY 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pbg s ALA 413 N -2.00 3.62 -1.33 4.61 0.00 -0.34 -5.00 121.76 121.32 3pbg s ALA 413 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 3pbg s ALA 413 Cb 0.00 -2.37 0.11 0.00 0.00 0.00 0.00 23.12 20.85 3pbg s ALA 413 CO 0.00 0.18 1.88 -1.71 0.00 0.00 0.00 175.76 176.10 3pbg n ASN 414 N 3.24 4.71 -4.67 0.00 5.15 -1.26 -4.08 115.26 118.33 3pbg n ASN 414 Ca -0.12 -2.96 -0.38 0.00 -0.60 0.00 0.00 54.58 50.51 3pbg n ASN 414 Cb 0.52 -1.61 -0.08 0.00 -0.53 0.00 0.00 39.78 38.09 3pbg n ASN 414 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3pbg s VAL 415 N 2.24 5.22 -0.61 3.44 1.01 -1.26 -0.19 120.40 130.25 3pbg s VAL 415 Ca 0.45 0.65 0.05 0.00 0.00 0.00 0.00 61.98 63.13 3pbg s VAL 415 Cb 0.08 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.79 3pbg s VAL 415 CO -0.01 0.27 0.66 0.29 0.00 0.00 0.00 175.10 176.31 3pbg n LYS 416 N 4.38 -0.31 -3.66 2.72 4.76 -0.27 -4.95 118.16 120.83 3pbg n LYS 416 Ca -0.09 -0.79 -0.02 0.00 -2.87 0.00 0.00 58.31 54.53 3pbg n LYS 416 Cb 0.51 -1.09 -0.01 0.00 -1.84 0.00 0.00 35.03 32.60 3pbg n LYS 416 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3pbg s GLY 417 N -0.41 -0.33 -0.12 0.72 0.00 -1.26 -2.45 107.32 103.47 3pbg s GLY 417 Ca 0.06 0.57 -0.07 0.00 0.00 0.00 0.00 44.72 45.27 3pbg s GLY 417 CO 0.06 0.13 0.29 -0.47 0.00 0.00 0.00 173.10 173.11 3pbg s TYR 418 N -2.88 -0.37 -0.22 1.90 5.04 -0.30 -0.63 117.35 119.89 3pbg s TYR 418 Ca 0.12 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 55.63 3pbg s TYR 418 Cb 0.01 0.11 0.05 0.00 0.35 0.00 0.00 41.96 42.48 3pbg s TYR 418 CO -0.02 -0.23 -0.07 -0.06 -1.34 0.00 0.00 175.55 173.84 3pbg s PHE 419 N 0.92 2.37 0.31 4.97 0.40 0.32 -1.00 117.98 126.28 3pbg s PHE 419 Ca -0.06 -1.68 -0.28 0.00 -0.60 0.00 0.00 56.93 54.31 3pbg s PHE 419 Cb -0.07 -1.58 -0.09 0.00 0.51 0.00 0.00 43.02 41.78 3pbg s PHE 419 CO -0.06 -0.76 1.09 -1.50 0.70 0.00 0.00 175.22 174.69 3pbg s ILE 420 N 1.41 3.52 -0.29 0.64 2.07 -1.14 -3.21 121.20 124.19 3pbg s ILE 420 Ca -0.04 1.43 -0.10 0.00 -1.41 0.00 0.00 60.65 60.52 3pbg s ILE 420 Cb -0.18 -3.87 -0.03 0.00 0.13 0.00 0.00 42.46 38.51 3pbg s ILE 420 CO -0.07 0.27 0.17 0.86 -1.91 0.00 0.00 174.94 174.26 3pbg s TRP 421 N -1.29 3.19 0.34 3.50 -0.11 -0.06 -0.96 118.94 123.55 3pbg s TRP 421 Ca 0.48 -0.20 0.04 0.00 1.22 0.00 0.00 56.10 57.64 3pbg s TRP 421 Cb -0.30 -2.37 -0.07 0.00 -1.50 0.00 0.00 33.47 29.24 3pbg s TRP 421 CO 0.38 -0.30 0.05 -1.54 -4.62 0.00 0.00 176.95 170.92 3pbg s SER 422 N 1.69 2.61 0.07 5.86 1.04 -1.15 -4.23 113.70 119.59 3pbg s SER 422 Ca 0.06 -1.38 -0.25 0.00 0.48 0.00 0.00 55.95 54.86 3pbg s SER 422 Cb -0.16 -0.12 -0.16 0.00 0.10 0.00 0.00 66.02 65.67 3pbg s SER 422 CO 0.08 -0.59 1.63 0.25 0.98 0.00 0.00 173.24 175.59 3pbg h LEU 423 N 2.06 -0.10 -9.30 2.42 5.85 -1.43 -2.59 115.31 112.22 3pbg h LEU 423 Ca -0.41 -0.08 -0.50 0.00 0.84 0.00 0.00 57.88 57.73 3pbg h LEU 423 Cb 1.24 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.16 3pbg h LEU 423 CO 0.71 0.02 -0.58 0.00 -0.34 0.00 0.00 178.44 178.25 3pbg s MET 424 N -5.80 1.73 0.08 1.25 0.23 -1.26 -1.10 119.30 114.43 3pbg s MET 424 Ca -0.14 -1.99 -0.31 0.00 -1.03 0.00 0.00 55.69 52.22 3pbg s MET 424 Cb 0.05 -0.83 -0.07 0.00 -1.53 0.00 0.00 34.83 32.45 3pbg s MET 424 CO 0.65 -0.26 1.33 -0.51 -2.03 0.00 0.00 175.02 174.21 3pbg s ASP 425 N -3.53 6.90 0.05 -1.18 1.01 -0.71 -4.14 116.67 115.08 3pbg s ASP 425 Ca 0.33 2.20 0.03 0.00 0.71 0.00 0.00 52.55 55.82 3pbg s ASP 425 Cb 0.07 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 3pbg s ASP 425 CO 0.15 -0.61 -0.10 0.68 0.21 0.00 0.00 175.17 175.50 3pbg s VAL 426 N 1.28 0.74 0.68 -1.27 -7.23 -1.26 -4.69 120.40 108.66 3pbg s VAL 426 Ca 0.63 -1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 59.48 3pbg s VAL 426 Cb -0.34 -0.77 0.01 0.00 0.56 0.00 0.00 36.38 35.84 3pbg s VAL 426 CO 0.29 -0.32 1.20 0.72 -0.31 0.00 0.00 175.10 176.68 3pbg s PHE 427 N -1.33 2.22 0.08 2.82 -0.12 -1.26 -4.85 117.98 115.55 3pbg s PHE 427 Ca -0.07 1.56 -0.11 0.00 -0.05 0.00 0.00 56.93 58.26 3pbg s PHE 427 Cb -0.10 -3.45 -0.06 0.00 -0.63 0.00 0.00 43.02 38.78 3pbg s PHE 427 CO 0.01 -2.40 0.43 0.45 -0.05 0.00 0.00 175.22 173.66 3pbg s SER 428 N -1.95 6.69 0.12 1.98 0.15 -0.60 -4.86 113.70 115.23 3pbg s SER 428 Ca 0.75 0.86 -0.33 0.00 0.70 0.00 0.00 55.95 57.93 3pbg s SER 428 Cb -0.29 -2.21 -0.12 0.00 -1.71 0.00 0.00 66.02 61.69 3pbg s SER 428 CO 0.41 0.17 1.55 -0.50 1.20 0.00 0.00 173.24 176.07 3pbg h TRP 429 N 3.77 -1.64 -0.10 3.44 4.06 -1.94 -3.05 115.95 120.50 3pbg h TRP 429 Ca -0.49 0.07 -0.07 0.00 2.06 0.00 0.00 58.89 60.46 3pbg h TRP 429 Cb 1.20 0.74 -0.05 0.00 -1.00 0.00 0.00 29.16 30.05 3pbg h TRP 429 CO 0.67 -0.53 -0.50 -1.13 -3.56 0.00 0.00 178.44 173.38 3pbg n SER 430 N -5.40 2.08 0.00 -3.49 3.41 -1.26 -4.64 113.62 104.32 3pbg n SER 430 Ca -0.05 -3.89 0.00 0.00 -0.26 0.00 0.00 58.87 54.67 3pbg n SER 430 Cb 0.37 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3pbg n SER 430 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3pbg n ASN 431 N -1.08 0.00 -0.68 4.04 4.13 -1.20 -4.65 115.26 115.81 3pbg n ASN 431 Ca 0.22 -1.00 0.07 0.00 1.68 0.00 0.00 54.58 55.56 3pbg n ASN 431 Cb 0.74 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.96 3pbg n ASN 431 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3pbg n GLY 432 N 0.00 -1.93 0.03 7.41 0.00 -1.16 -3.96 105.19 105.59 3pbg n GLY 432 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3pbg n GLY 432 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3pbg n TYR 433 N -2.24 0.00 -0.04 1.61 4.02 -1.26 -1.56 117.16 117.69 3pbg n TYR 433 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 3pbg n TYR 433 Cb 0.25 -0.01 -0.13 0.00 -0.02 0.00 0.00 39.34 39.43 3pbg n TYR 433 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3pbg h GLU 434 N 0.01 0.07 -5.57 -0.72 4.39 -1.95 -3.42 114.58 107.39 3pbg h GLU 434 Ca 0.00 -0.12 -0.27 0.00 0.34 0.00 0.00 59.36 59.32 3pbg h GLU 434 Cb 0.03 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 3pbg h GLU 434 CO 0.00 1.06 0.74 0.21 -1.16 0.00 0.00 179.01 179.86 3pbg s LYS 435 N -2.28 2.38 0.29 2.33 2.20 -1.25 -4.44 119.74 118.96 3pbg s LYS 435 Ca -0.18 -0.51 -0.19 0.00 -0.36 0.00 0.00 55.97 54.73 3pbg s LYS 435 Cb -0.01 -5.09 -0.09 0.00 -1.51 0.00 0.00 37.83 31.12 3pbg s LYS 435 CO 0.72 -3.78 0.77 1.03 -0.36 0.00 0.00 175.35 173.72 3pbg s ARG 436 N 7.08 4.19 0.00 4.03 0.52 -1.07 -4.64 118.95 129.06 3pbg s ARG 436 Ca 0.72 0.86 0.00 0.00 -0.52 0.00 0.00 55.73 56.79 3pbg s ARG 436 Cb -0.05 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.77 3pbg s ARG 436 CO 0.05 0.26 0.00 0.66 0.02 0.00 0.00 175.30 176.30 3pbg n TYR 437 N 0.20 0.00 -1.54 -0.53 4.02 -1.26 -1.85 117.16 116.19 3pbg n TYR 437 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.57 3pbg n TYR 437 Cb 0.52 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.91 3pbg n TYR 437 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3pbg s GLY 438 N -0.24 2.10 0.32 2.72 0.00 -1.26 -2.94 107.32 108.02 3pbg s GLY 438 Ca 0.00 0.58 0.17 0.00 0.00 0.00 0.00 44.72 45.48 3pbg s GLY 438 CO 0.00 0.95 1.53 1.41 0.00 0.00 0.00 173.10 176.99 3pbg h LEU 439 N -0.33 0.00 -8.23 0.66 3.38 -0.69 -3.43 115.31 106.66 3pbg h LEU 439 Ca -0.46 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.86 3pbg h LEU 439 Cb 1.26 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.67 3pbg h LEU 439 CO 0.52 0.41 -0.87 -0.36 0.09 0.00 0.00 178.44 178.23 3pbg s PHE 440 N -3.12 2.41 0.05 1.13 0.08 -0.81 -2.21 117.98 115.51 3pbg s PHE 440 Ca 0.04 -1.06 -0.30 0.00 0.12 0.00 0.00 56.93 55.73 3pbg s PHE 440 Cb 0.08 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.84 3pbg s PHE 440 CO 0.72 -0.46 1.07 -0.47 -0.10 0.00 0.00 175.22 175.98 3pbg s TYR 441 N 0.56 3.59 -0.24 0.36 5.04 0.82 -1.75 117.35 125.73 3pbg s TYR 441 Ca -0.14 1.56 -0.02 0.00 -2.44 0.00 0.00 57.07 56.03 3pbg s TYR 441 Cb -0.17 -3.24 0.02 0.00 0.35 0.00 0.00 41.96 38.93 3pbg s TYR 441 CO 0.05 -0.51 -0.06 0.08 -1.34 0.00 0.00 175.55 173.77 3pbg s VAL 442 N 0.79 2.92 -0.83 3.14 1.01 -1.26 0.13 120.40 126.30 3pbg s VAL 442 Ca 0.54 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 3pbg s VAL 442 Cb -0.25 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.72 3pbg s VAL 442 CO 0.29 0.23 1.30 -0.62 0.00 0.00 0.00 175.10 176.31 3pbg s ASP 443 N 1.34 6.29 0.42 3.32 -1.08 -0.29 -4.86 116.67 121.81 3pbg s ASP 443 Ca 0.01 -0.89 0.16 0.00 -0.52 0.00 0.00 52.55 51.31 3pbg s ASP 443 Cb -0.16 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.63 3pbg s ASP 443 CO -0.05 -1.67 1.42 -0.26 0.52 0.00 0.00 175.17 175.13 3pbg h PHE 444 N 9.87 0.00 0.14 -5.34 0.04 -1.93 0.82 116.94 120.54 3pbg h PHE 444 Ca -0.11 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.44 3pbg h PHE 444 Cb 1.04 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.20 3pbg h PHE 444 CO 1.17 0.00 -1.02 -0.44 -0.60 0.00 0.00 178.31 177.42 3pbg h ASP 445 N 0.00 0.48 -0.01 2.17 3.32 -1.97 -3.36 116.42 117.05 3pbg h ASP 445 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 3pbg h ASP 445 Cb 0.71 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3pbg h ASP 445 CO 0.00 1.48 -0.67 0.35 -1.72 0.00 0.00 179.24 178.68 3pbg n THR 446 N -4.04 0.00 -1.59 0.35 -2.24 -0.27 -4.95 114.28 101.54 3pbg n THR 446 Ca -0.17 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.24 3pbg n THR 446 Cb 0.87 1.14 -0.09 0.00 -2.10 0.00 0.00 70.33 70.15 3pbg n THR 446 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3pbg n GLN 447 N -0.65 -1.40 -2.54 -0.78 1.13 0.27 -4.96 117.38 108.44 3pbg n GLN 447 Ca 0.07 1.21 -0.33 0.00 -1.94 0.00 0.00 57.00 56.00 3pbg n GLN 447 Cb 0.39 -5.56 -0.04 0.00 0.11 0.00 0.00 30.24 25.14 3pbg n GLN 447 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3pbg s GLU 448 N -3.72 3.91 -0.08 -1.09 0.41 -1.22 -4.80 118.70 112.10 3pbg s GLU 448 Ca 0.00 1.19 0.04 0.00 -0.41 0.00 0.00 54.97 55.78 3pbg s GLU 448 Cb 0.00 -2.12 -0.01 0.00 -1.78 0.00 0.00 34.13 30.22 3pbg s GLU 448 CO 0.00 -0.32 -0.19 1.03 -0.49 0.00 0.00 175.26 175.29 3pbg s ARG 449 N -3.48 2.86 -0.11 1.61 3.00 -1.26 -1.14 118.95 120.43 3pbg s ARG 449 Ca 0.63 -0.80 0.01 0.00 0.00 0.00 0.00 55.73 55.58 3pbg s ARG 449 Cb -0.13 -2.36 0.02 0.00 0.00 0.00 0.00 34.95 32.48 3pbg s ARG 449 CO 0.22 0.35 -0.13 0.71 0.00 0.00 0.00 175.30 176.44 3pbg s TYR 450 N -0.04 1.82 0.18 -0.53 1.51 0.12 -4.93 117.35 115.47 3pbg s TYR 450 Ca -0.05 -0.86 -0.31 0.00 -1.01 0.00 0.00 57.07 54.84 3pbg s TYR 450 Cb -0.14 -1.35 -0.09 0.00 -0.11 0.00 0.00 41.96 40.27 3pbg s TYR 450 CO 0.05 -0.47 1.42 -1.25 -1.11 0.00 0.00 175.55 174.18 3pbg s PRO 451 N 1.12 4.30 0.65 -1.71 0.04 -1.26 -0.13 135.00 138.01 3pbg s PRO 451 Ca -0.04 2.19 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 3pbg s PRO 451 Cb -0.14 -3.18 0.05 0.00 0.04 0.00 0.00 34.50 31.26 3pbg s PRO 451 CO -0.03 -0.43 0.93 0.15 0.04 0.00 0.00 177.00 177.66 3pbg s LYS 452 N 0.46 2.37 0.46 4.56 1.02 -0.94 -4.55 119.74 123.12 3pbg s LYS 452 Ca 0.63 -0.40 0.19 0.00 0.02 0.00 0.00 55.97 56.41 3pbg s LYS 452 Cb -0.39 -2.28 1.18 0.00 -0.52 0.00 0.00 37.83 35.81 3pbg s LYS 452 CO 0.36 -1.03 1.94 -0.22 -0.92 0.00 0.00 175.35 175.48 3pbg h LYS 453 N -0.35 0.26 -0.14 1.68 3.64 -1.58 0.50 116.57 120.57 3pbg h LYS 453 Ca -0.44 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 58.83 3pbg h LYS 453 Cb 1.31 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3pbg h LYS 453 CO 0.58 0.17 -0.33 0.66 -2.27 0.00 0.00 179.45 178.26 3pbg h SER 454 N 0.27 0.29 0.15 4.20 4.64 -1.86 -2.18 113.55 119.05 3pbg h SER 454 Ca 0.33 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3pbg h SER 454 Cb 0.92 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 3pbg h SER 454 CO -0.08 0.61 -0.13 0.00 -0.87 0.00 0.00 176.83 176.36 3pbg h ALA 455 N 1.42 -0.27 -0.86 5.18 0.00 -1.03 0.39 119.26 124.09 3pbg h ALA 455 Ca 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3pbg h ALA 455 Cb 0.70 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 3pbg h ALA 455 CO 0.05 -0.67 0.50 0.45 0.00 0.00 0.00 179.25 179.58 3pbg h HIS 456 N -0.30 0.90 -0.07 0.00 -0.00 -1.50 -0.49 115.15 113.70 3pbg h HIS 456 Ca -0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.30 3pbg h HIS 456 Cb 0.28 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 3pbg h HIS 456 CO -0.12 0.36 -0.40 2.35 -0.00 0.00 0.00 177.93 180.13 3pbg h TRP 457 N 0.82 0.16 -0.31 2.45 7.01 -0.73 -2.79 115.95 122.56 3pbg h TRP 457 Ca 0.41 -0.04 -0.16 0.00 2.11 0.00 0.00 58.89 61.21 3pbg h TRP 457 Cb 0.39 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.41 3pbg h TRP 457 CO -0.05 0.52 -0.44 -0.92 -2.79 0.00 0.00 178.44 174.76 3pbg h TYR 458 N 0.12 1.04 0.10 2.65 3.20 0.13 -2.04 116.97 122.17 3pbg h TYR 458 Ca 0.01 -0.35 0.02 0.00 3.14 0.00 0.00 58.73 61.55 3pbg h TYR 458 Cb 0.76 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 3pbg h TYR 458 CO 0.01 1.16 -0.24 -0.22 -1.64 0.00 0.00 178.16 177.22 3pbg h LYS 459 N 0.63 -0.42 -0.79 1.82 3.64 -1.10 0.57 116.57 120.92 3pbg h LYS 459 Ca 0.03 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 3pbg h LYS 459 Cb 1.04 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.88 3pbg h LYS 459 CO 0.10 -0.28 0.41 0.87 -2.27 0.00 0.00 179.45 178.29 3pbg h LYS 460 N -0.43 0.65 -0.06 1.90 1.79 -1.45 -1.33 116.57 117.63 3pbg h LYS 460 Ca 0.03 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3pbg h LYS 460 Cb 0.47 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3pbg h LYS 460 CO -0.15 0.43 -0.02 1.25 -1.08 0.00 0.00 179.45 179.89 3pbg h LEU 461 N 0.67 0.12 -0.01 2.94 5.85 -0.71 -2.73 115.31 121.44 3pbg h LEU 461 Ca 0.40 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3pbg h LEU 461 Cb 0.44 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3pbg h LEU 461 CO -0.29 0.47 -0.35 0.00 -0.34 0.00 0.00 178.44 177.93 3pbg h ALA 462 N 0.66 -0.52 -0.01 1.25 0.00 0.55 0.14 119.26 121.33 3pbg h ALA 462 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3pbg h ALA 462 Cb 0.41 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3pbg h ALA 462 CO 0.01 -0.86 0.00 -0.85 0.00 0.00 0.00 179.25 177.54 3pbg n GLU 463 N -5.42 1.04 0.00 0.00 0.28 -0.54 -3.68 120.64 112.32 3pbg n GLU 463 Ca -0.05 -0.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 3pbg n GLU 463 Cb 0.34 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 31.90 3pbg n GLU 463 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3pbg n THR 464 N -0.74 0.00 -2.22 3.84 -1.04 -1.03 -5.00 114.28 108.09 3pbg n THR 464 Ca 0.15 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.01 3pbg n THR 464 Cb 0.08 -0.75 -0.01 0.00 -1.82 0.00 0.00 70.33 67.84 3pbg n THR 464 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3pbg n GLN 465 N -1.69 -1.17 -4.08 -2.82 1.13 0.45 -4.98 117.38 104.22 3pbg n GLN 465 Ca 0.00 0.74 -0.32 0.00 -1.94 0.00 0.00 57.00 55.48 3pbg n GLN 465 Cb 0.38 -5.04 -0.16 0.00 0.11 0.00 0.00 30.24 25.53 3pbg n GLN 465 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3pbg s VAL 466 N -2.72 1.95 -1.03 5.09 1.01 -1.25 -1.97 120.40 121.46 3pbg s VAL 466 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 3pbg s VAL 466 Cb 0.00 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.56 3pbg s VAL 466 CO 0.00 0.35 1.48 -0.63 0.00 0.00 0.00 175.10 176.30 3pbg s ILE 467 N 1.30 3.92 0.00 2.22 1.01 -0.37 -4.70 121.20 124.59 3pbg s ILE 467 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3pbg s ILE 467 Cb -0.15 -5.05 0.00 0.00 0.01 0.00 0.00 42.46 37.27 3pbg s ILE 467 CO -0.10 -1.92 0.36 -1.84 0.00 0.00 0.00 174.94 171.44