#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wb9 s ALA 3 N 0.00 3.60 -0.27 -0.43 0.00 -1.26 -4.95 121.76 118.45 1wb9 s ALA 3 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 1wb9 s ALA 3 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1wb9 s ALA 3 CO 0.00 -0.93 1.19 0.42 0.00 0.00 0.00 175.76 176.45 1wb9 s ILE 4 N -0.75 4.35 -0.70 0.00 1.01 -1.26 -4.93 121.20 118.92 1wb9 s ILE 4 Ca 0.55 1.57 0.03 0.00 0.00 0.00 0.00 60.65 62.80 1wb9 s ILE 4 Cb -0.45 -4.23 0.35 0.00 0.01 0.00 0.00 42.46 38.14 1wb9 s ILE 4 CO 0.56 -0.38 1.28 -0.62 0.00 0.00 0.00 174.94 175.78 1wb9 n GLU 5 N 6.92 3.85 -0.87 2.79 1.02 -1.26 -4.88 120.64 128.21 1wb9 n GLU 5 Ca 0.13 -4.68 -0.33 0.00 -0.02 0.00 0.00 57.16 52.26 1wb9 n GLU 5 Cb 0.46 -2.31 0.13 0.00 -0.02 0.00 0.00 31.44 29.71 1wb9 n GLU 5 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1wb9 n ASN 6 N -0.24 -0.76 -0.22 1.62 6.94 -1.26 -4.88 115.26 116.45 1wb9 n ASN 6 Ca 0.38 0.43 -0.07 0.00 -0.02 0.00 0.00 54.58 55.30 1wb9 n ASN 6 Cb 0.38 -1.34 -0.01 0.00 -2.36 0.00 0.00 39.78 36.45 1wb9 n ASN 6 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1wb9 h PHE 7 N -1.41 -1.13 -0.01 -2.53 3.57 -1.96 -0.60 116.94 112.87 1wb9 h PHE 7 Ca -0.44 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1wb9 h PHE 7 Cb 1.29 0.58 -0.00 0.00 2.79 0.00 0.00 35.95 40.61 1wb9 h PHE 7 CO 0.43 -0.41 0.02 -0.44 -2.23 0.00 0.00 178.31 175.68 1wb9 h ASP 8 N -0.19 0.00 1.24 0.41 3.32 -2.00 -2.13 116.42 117.07 1wb9 h ASP 8 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1wb9 h ASP 8 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1wb9 h ASP 8 CO -0.71 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 176.81 1wb9 h ALA 9 N 1.97 1.00 -2.50 3.45 0.00 -1.44 -3.45 119.26 118.28 1wb9 h ALA 9 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1wb9 h ALA 9 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1wb9 h ALA 9 CO -0.00 0.00 -0.10 -1.01 0.00 0.00 0.00 179.25 178.14 1wb9 s HIS 10 N -3.37 3.42 0.76 0.00 3.76 -0.80 -4.98 115.29 114.08 1wb9 s HIS 10 Ca 0.05 0.89 -0.12 0.00 -0.15 0.00 0.00 55.06 55.73 1wb9 s HIS 10 Cb 0.09 -2.28 0.06 0.00 1.11 0.00 0.00 32.58 31.56 1wb9 s HIS 10 CO 0.54 0.25 1.12 0.95 -0.85 0.00 0.00 174.74 176.75 1wb9 s THR 11 N -1.84 2.93 0.33 1.30 -4.23 -1.26 -4.78 115.64 108.09 1wb9 s THR 11 Ca 0.48 0.35 0.11 0.00 -1.18 0.00 0.00 61.69 61.45 1wb9 s THR 11 Cb -0.11 -2.78 0.32 0.00 1.34 0.00 0.00 72.50 71.27 1wb9 s THR 11 CO 0.21 -0.34 1.71 -0.65 -0.54 0.00 0.00 174.62 175.01 1wb9 h PRO 12 N -0.84 0.49 -0.31 3.99 0.11 -1.98 -1.02 132.00 132.43 1wb9 h PRO 12 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1wb9 h PRO 12 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1wb9 h PRO 12 CO 0.50 0.32 0.16 1.98 -0.21 0.00 0.00 178.00 180.76 1wb9 h MET 13 N 0.51 0.44 -0.05 1.05 1.85 -2.00 -2.34 114.93 114.39 1wb9 h MET 13 Ca 0.67 -0.06 -0.17 0.00 -0.61 0.00 0.00 59.70 59.54 1wb9 h MET 13 Cb 1.36 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.30 1wb9 h MET 13 CO -0.51 0.39 -0.71 0.52 -0.40 0.00 0.00 176.91 176.20 1wb9 h MET 14 N 0.38 0.25 0.02 0.39 2.86 -1.71 -0.90 114.93 116.22 1wb9 h MET 14 Ca 0.11 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1wb9 h MET 14 Cb 0.08 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1wb9 h MET 14 CO -0.02 0.85 -0.11 1.96 1.06 0.00 0.00 176.91 180.66 1wb9 h GLN 15 N 0.17 -0.19 -0.18 1.72 4.20 -1.17 0.43 115.11 120.09 1wb9 h GLN 15 Ca -0.02 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1wb9 h GLN 15 Cb 1.26 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 1wb9 h GLN 15 CO 0.11 -0.13 0.06 0.37 -0.67 0.00 0.00 178.83 178.57 1wb9 h GLN 16 N -0.19 0.13 -0.51 1.46 4.15 -1.34 -2.40 115.11 116.40 1wb9 h GLN 16 Ca 0.03 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1wb9 h GLN 16 Cb 0.23 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1wb9 h GLN 16 CO -0.09 0.09 0.18 -0.92 -1.93 0.00 0.00 178.83 176.15 1wb9 h TYR 17 N 0.14 0.81 0.00 3.99 3.20 -0.85 -2.40 116.97 121.86 1wb9 h TYR 17 Ca 0.08 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1wb9 h TYR 17 Cb 0.05 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1wb9 h TYR 17 CO -0.12 0.69 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.70 1wb9 h LEU 18 N 0.70 0.00 -0.33 2.82 3.38 -0.04 0.56 115.31 122.40 1wb9 h LEU 18 Ca 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1wb9 h LEU 18 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wb9 h LEU 18 CO -0.01 0.33 -0.44 -0.09 0.09 0.00 0.00 178.44 178.32 1wb9 h ARG 19 N 0.00 0.88 0.00 1.13 2.43 -1.21 -1.31 114.38 116.30 1wb9 h ARG 19 Ca -0.00 -0.51 -0.24 0.00 -0.81 0.00 0.00 59.98 58.42 1wb9 h ARG 19 Cb 0.77 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1wb9 h ARG 19 CO 0.04 1.15 -0.98 -0.07 -1.51 0.00 0.00 179.97 178.60 1wb9 h LEU 20 N 0.67 0.68 -1.49 3.80 3.38 -1.10 -3.03 115.31 118.22 1wb9 h LEU 20 Ca 0.04 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 1wb9 h LEU 20 Cb 1.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1wb9 h LEU 20 CO 0.10 1.35 -0.08 0.50 0.09 0.00 0.00 178.44 180.40 1wb9 h LYS 21 N 0.29 0.23 0.00 1.13 1.63 -0.91 -2.51 116.57 116.44 1wb9 h LYS 21 Ca -0.10 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.61 1wb9 h LYS 21 Cb 1.63 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.22 1wb9 h LYS 21 CO 0.18 0.33 -0.20 0.00 -3.45 0.00 0.00 179.45 176.30 1wb9 h ALA 22 N 1.70 1.11 0.00 5.00 0.00 -1.11 -0.59 119.26 125.37 1wb9 h ALA 22 Ca 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1wb9 h ALA 22 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wb9 h ALA 22 CO 0.01 0.25 -0.30 0.37 0.00 0.00 0.00 179.25 179.59 1wb9 h GLN 23 N 0.00 0.00 -2.07 0.00 4.15 -1.42 -3.34 115.11 112.42 1wb9 h GLN 23 Ca -0.00 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.90 1wb9 h GLN 23 Cb 0.61 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 27.90 1wb9 h GLN 23 CO 0.03 0.30 -1.05 0.72 -1.93 0.00 0.00 178.83 176.90 1wb9 n HIS 24 N -3.64 1.14 0.18 3.99 8.25 -0.27 -4.99 115.22 119.88 1wb9 n HIS 24 Ca -0.01 -3.85 0.03 0.00 -0.26 0.00 0.00 57.72 53.63 1wb9 n HIS 24 Cb 0.42 -0.43 0.39 0.00 1.12 0.00 0.00 29.99 31.48 1wb9 n HIS 24 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wb9 h PRO 25 N 3.10 0.06 -0.02 -0.41 0.13 -1.60 -3.12 132.00 130.15 1wb9 h PRO 25 Ca 0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1wb9 h PRO 25 Cb 0.85 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1wb9 h PRO 25 CO 0.58 0.34 -0.19 0.39 -0.23 0.00 0.00 178.00 178.89 1wb9 n GLU 26 N -4.18 1.64 -4.39 0.86 -0.58 -1.26 -4.97 120.64 107.76 1wb9 n GLU 26 Ca -0.02 -1.31 -0.26 0.00 -0.42 0.00 0.00 57.16 55.15 1wb9 n GLU 26 Cb 0.35 -1.38 -0.12 0.00 -0.57 0.00 0.00 31.44 29.72 1wb9 n GLU 26 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1wb9 s ILE 27 N -1.91 2.20 0.38 -3.67 -4.36 -1.18 -5.04 121.20 107.63 1wb9 s ILE 27 Ca 0.20 -1.96 -0.27 0.00 -0.26 0.00 0.00 60.65 58.36 1wb9 s ILE 27 Cb 0.16 -2.03 -0.11 0.00 1.25 0.00 0.00 42.46 41.74 1wb9 s ILE 27 CO 0.36 -0.14 1.37 0.18 0.24 0.00 0.00 174.94 176.95 1wb9 n LEU 28 N 0.37 4.24 -4.10 0.37 4.77 -1.23 -4.81 117.00 116.61 1wb9 n LEU 28 Ca -0.13 1.18 -0.33 0.00 -0.03 0.00 0.00 56.01 56.70 1wb9 n LEU 28 Cb 0.56 -1.55 -0.16 0.00 -2.33 0.00 0.00 43.42 39.94 1wb9 n LEU 28 CO 0.28 -0.28 -0.51 -0.22 -1.33 0.00 0.00 177.39 175.34 1wb9 s LEU 29 N -1.70 2.47 -0.50 2.23 2.96 -1.26 -0.78 118.68 122.09 1wb9 s LEU 29 Ca 0.57 -0.85 -0.22 0.00 -0.22 0.00 0.00 54.13 53.40 1wb9 s LEU 29 Cb -0.51 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 44.74 1wb9 s LEU 29 CO 0.61 -0.06 0.78 -0.36 -1.32 0.00 0.00 176.35 176.00 1wb9 s PHE 30 N 1.25 2.94 -0.41 5.38 0.40 -0.02 -4.44 117.98 123.09 1wb9 s PHE 30 Ca 0.01 -0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.08 1wb9 s PHE 30 Cb -0.15 -3.74 0.04 0.00 0.51 0.00 0.00 43.02 39.68 1wb9 s PHE 30 CO -0.11 -1.12 0.27 -0.47 0.70 0.00 0.00 175.22 174.49 1wb9 s TYR 31 N 3.29 3.25 -0.03 0.36 5.04 -0.18 -1.18 117.35 127.90 1wb9 s TYR 31 Ca 0.25 -0.91 -0.30 0.00 -2.44 0.00 0.00 57.07 53.67 1wb9 s TYR 31 Cb -0.15 -2.65 -0.05 0.00 0.35 0.00 0.00 41.96 39.46 1wb9 s TYR 31 CO 0.18 -0.68 1.53 0.50 -1.34 0.00 0.00 175.55 175.74 1wb9 s ARG 32 N 1.59 4.22 -0.27 4.97 6.06 -1.01 -0.87 118.95 133.64 1wb9 s ARG 32 Ca 0.03 2.08 -0.02 0.00 -2.50 0.00 0.00 55.73 55.33 1wb9 s ARG 32 Cb -0.20 -3.78 0.09 0.00 0.06 0.00 0.00 34.95 31.12 1wb9 s ARG 32 CO 0.07 -0.73 0.08 -1.64 -2.50 0.00 0.00 175.30 170.58 1wb9 s MET 33 N 3.27 0.66 7.12 5.12 -1.94 0.58 -4.71 119.30 129.39 1wb9 s MET 33 Ca 0.68 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.87 1wb9 s MET 33 Cb -0.32 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.58 1wb9 s MET 33 CO 0.27 -0.87 0.00 0.41 -0.01 0.00 0.00 175.02 174.82 1wb9 n GLY 34 N 4.96 3.51 0.00 -0.03 0.00 -1.26 -1.82 105.19 110.54 1wb9 n GLY 34 Ca -0.05 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.98 1wb9 n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wb9 n ASP 35 N 4.57 0.00 -4.12 1.61 9.92 -1.26 -4.82 116.55 122.46 1wb9 n ASP 35 Ca 0.00 -1.05 -0.29 0.00 -0.53 0.00 0.00 54.79 52.92 1wb9 n ASP 35 Cb 0.00 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.31 1wb9 n ASP 35 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1wb9 s PHE 36 N -2.00 2.09 -0.01 1.24 0.08 -0.76 0.01 117.98 118.64 1wb9 s PHE 36 Ca 0.29 -0.87 -0.30 0.00 0.12 0.00 0.00 56.93 56.17 1wb9 s PHE 36 Cb 0.13 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1wb9 s PHE 36 CO 0.23 -0.40 1.17 0.71 -0.10 0.00 0.00 175.22 176.82 1wb9 s TYR 37 N 0.60 3.35 0.03 0.36 2.02 -0.15 -0.31 117.35 123.26 1wb9 s TYR 37 Ca -0.14 1.32 0.06 0.00 -0.37 0.00 0.00 57.07 57.94 1wb9 s TYR 37 Cb -0.17 -3.37 -0.02 0.00 -0.40 0.00 0.00 41.96 38.00 1wb9 s TYR 37 CO 0.05 -1.10 -0.17 0.99 -1.57 0.00 0.00 175.55 173.74 1wb9 s THR 38 N 1.61 1.38 0.06 -0.71 2.01 -0.05 -1.23 115.64 118.71 1wb9 s THR 38 Ca 0.56 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.63 1wb9 s THR 38 Cb -0.26 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 1wb9 s THR 38 CO 0.25 0.18 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.42 1wb9 s LEU 39 N -0.95 2.22 0.27 4.42 1.02 0.78 -1.01 118.68 125.43 1wb9 s LEU 39 Ca 0.05 -0.57 0.06 0.00 0.02 0.00 0.00 54.13 53.69 1wb9 s LEU 39 Cb -0.08 -0.80 -0.06 0.00 0.02 0.00 0.00 46.19 45.28 1wb9 s LEU 39 CO 0.01 0.07 -0.04 -0.36 0.02 0.00 0.00 176.35 176.05 1wb9 s PHE 40 N -0.98 1.88 0.00 0.29 0.08 -1.26 -1.65 117.98 116.34 1wb9 s PHE 40 Ca 0.04 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.34 1wb9 s PHE 40 Cb -0.09 -1.09 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 1wb9 s PHE 40 CO 0.02 0.21 0.00 0.66 -0.10 0.00 0.00 175.22 176.01 1wb9 n TYR 41 N -0.56 0.00 0.23 0.36 4.01 -0.31 -1.99 117.16 118.90 1wb9 n TYR 41 Ca -0.05 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.78 1wb9 n TYR 41 Cb 0.64 0.01 0.54 0.00 -0.31 0.00 0.00 39.34 40.22 1wb9 n TYR 41 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1wb9 h ASP 42 N 2.58 0.00 -0.44 7.72 3.32 -1.98 -2.14 116.42 125.48 1wb9 h ASP 42 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wb9 h ASP 42 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1wb9 h ASP 42 CO 0.00 0.23 0.26 0.44 -1.72 0.00 0.00 179.24 178.45 1wb9 h ASP 43 N 0.00 0.53 -0.63 6.45 5.19 -1.79 -1.15 116.42 125.02 1wb9 h ASP 43 Ca -0.00 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1wb9 h ASP 43 Cb 0.56 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.90 1wb9 h ASP 43 CO 0.03 0.44 0.42 0.00 -3.12 0.00 0.00 179.24 177.00 1wb9 h ALA 44 N 1.12 0.80 -0.40 3.45 0.00 -1.10 0.50 119.26 123.64 1wb9 h ALA 44 Ca 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1wb9 h ALA 44 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1wb9 h ALA 44 CO -0.03 0.24 0.04 0.87 0.00 0.00 0.00 179.25 180.36 1wb9 h LYS 45 N 0.86 0.68 -0.00 0.00 1.57 -1.26 -0.27 116.57 118.13 1wb9 h LYS 45 Ca 0.23 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wb9 h LYS 45 Cb -0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1wb9 h LYS 45 CO -0.05 0.74 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.48 1wb9 h ARG 46 N 0.52 0.01 -0.71 3.15 2.43 -1.06 -2.46 114.38 116.25 1wb9 h ARG 46 Ca 0.12 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.38 1wb9 h ARG 46 Cb 0.41 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1wb9 h ARG 46 CO 0.01 0.32 0.35 0.00 -1.51 0.00 0.00 179.97 179.15 1wb9 h ALA 47 N 0.69 0.98 -0.55 2.80 0.00 -0.86 0.08 119.26 122.41 1wb9 h ALA 47 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1wb9 h ALA 47 Cb 0.32 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1wb9 h ALA 47 CO 0.00 -0.05 0.19 1.03 0.00 0.00 0.00 179.25 180.42 1wb9 h SER 48 N 0.60 0.17 -0.19 0.00 0.87 -0.90 0.18 113.55 114.27 1wb9 h SER 48 Ca 0.35 0.07 -0.22 0.00 -1.23 0.00 0.00 61.79 60.77 1wb9 h SER 48 Cb 0.38 0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1wb9 h SER 48 CO -0.27 0.12 -0.72 1.56 -0.53 0.00 0.00 176.83 176.98 1wb9 h GLN 49 N 0.36 0.82 -0.14 2.24 4.20 -0.90 -1.70 115.11 119.99 1wb9 h GLN 49 Ca 0.27 -0.63 -0.17 0.00 0.06 0.00 0.00 58.65 58.18 1wb9 h GLN 49 Cb 0.32 0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.23 1wb9 h GLN 49 CO -0.29 1.24 -0.57 -0.07 -0.67 0.00 0.00 178.83 178.48 1wb9 h LEU 50 N 0.58 0.75 -0.37 1.46 3.38 -0.78 -3.35 115.31 116.99 1wb9 h LEU 50 Ca -0.04 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1wb9 h LEU 50 Cb 1.35 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1wb9 h LEU 50 CO 0.15 1.24 -0.79 0.18 0.09 0.00 0.00 178.44 179.32 1wb9 n LEU 51 N -4.14 1.35 -3.15 1.67 4.77 0.59 -4.99 117.00 113.11 1wb9 n LEU 51 Ca -0.07 -0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 55.18 1wb9 n LEU 51 Cb 0.64 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.78 1wb9 n LEU 51 CO 0.48 0.29 0.06 -0.67 -1.33 0.00 0.00 177.39 176.23 1wb9 n ASP 52 N -0.95 -6.56 -4.20 -1.43 2.03 -0.65 -5.03 116.55 99.76 1wb9 n ASP 52 Ca 0.06 -0.61 -0.12 0.00 0.52 0.00 0.00 54.79 54.64 1wb9 n ASP 52 Cb 0.37 -5.01 -0.10 0.00 -0.72 0.00 0.00 41.12 35.67 1wb9 n ASP 52 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wb9 s ILE 53 N -3.33 0.84 0.27 5.18 -4.36 -1.12 -5.07 121.20 113.61 1wb9 s ILE 53 Ca 0.39 -1.98 -0.29 0.00 -0.26 0.00 0.00 60.65 58.51 1wb9 s ILE 53 Cb -0.05 -1.74 -0.09 0.00 1.25 0.00 0.00 42.46 41.82 1wb9 s ILE 53 CO 0.71 -0.83 1.16 -0.44 0.24 0.00 0.00 174.94 175.78 1wb9 s SER 54 N -3.08 7.14 -0.13 4.36 0.01 -1.26 -4.47 113.70 116.26 1wb9 s SER 54 Ca 0.14 2.35 -0.23 0.00 1.31 0.00 0.00 55.95 59.51 1wb9 s SER 54 Cb 0.04 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1wb9 s SER 54 CO -0.03 -0.26 0.72 -0.22 0.41 0.00 0.00 173.24 173.86 1wb9 s LEU 55 N -1.31 4.23 0.00 2.44 2.96 -1.26 -4.62 118.68 121.12 1wb9 s LEU 55 Ca 0.47 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.47 1wb9 s LEU 55 Cb -0.34 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.28 1wb9 s LEU 55 CO 0.43 -0.24 0.00 1.07 -1.32 0.00 0.00 176.35 176.28 1wb9 n THR 56 N 4.31 0.00 -3.75 3.68 5.66 -0.15 -4.98 114.28 119.05 1wb9 n THR 56 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.90 1wb9 n THR 56 Cb 0.50 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.21 1wb9 n THR 56 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1wb9 s LYS 57 N -0.34 0.87 -0.13 1.09 0.00 -1.26 -0.79 119.74 119.18 1wb9 s LYS 57 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 55.97 55.35 1wb9 s LYS 57 Cb 0.00 0.37 0.01 0.00 0.00 0.00 0.00 37.83 38.21 1wb9 s LYS 57 CO 0.00 -0.29 -0.22 0.50 0.00 0.00 0.00 175.35 175.34 1wb9 s ARG 58 N -3.09 2.98 0.70 1.78 3.52 -0.36 -4.88 118.95 119.61 1wb9 s ARG 58 Ca -0.01 -0.84 -0.13 0.00 -0.13 0.00 0.00 55.73 54.61 1wb9 s ARG 58 Cb 0.01 -2.39 0.02 0.00 -1.56 0.00 0.00 34.95 31.03 1wb9 s ARG 58 CO -0.07 0.01 1.10 0.20 -0.81 0.00 0.00 175.30 175.73 1wb9 s GLY 59 N 0.76 1.94 -0.01 8.12 0.00 -1.26 -1.59 107.32 115.28 1wb9 s GLY 59 Ca -0.09 0.40 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 1wb9 s GLY 59 CO -0.01 0.75 0.03 0.00 0.00 0.00 0.00 173.10 173.88 1wb9 s ALA 60 N -2.60 -0.07 -0.36 3.20 0.00 -1.26 -4.84 121.76 115.82 1wb9 s ALA 60 Ca 0.64 0.03 0.22 0.00 0.00 0.00 0.00 51.96 52.85 1wb9 s ALA 60 Cb -0.19 -0.04 0.33 0.00 0.00 0.00 0.00 23.12 23.23 1wb9 s ALA 60 CO 0.48 -0.03 1.60 1.03 0.00 0.00 0.00 175.76 178.83 1wb9 h SER 61 N 5.92 0.00 0.44 0.00 0.87 -1.97 -3.32 113.55 115.49 1wb9 h SER 61 Ca -0.25 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.00 1wb9 h SER 61 Cb 1.21 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1wb9 h SER 61 CO 0.48 0.10 -1.47 0.00 -0.53 0.00 0.00 176.83 175.40 1wb9 h ALA 62 N 1.90 0.13 0.00 6.23 0.00 -1.96 -3.50 119.26 122.07 1wb9 h ALA 62 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1wb9 h ALA 62 Cb 1.05 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wb9 h ALA 62 CO 0.01 1.00 0.00 0.41 0.00 0.00 0.00 179.25 180.68 1wb9 n GLY 63 N 1.66 1.56 3.69 0.00 0.00 -1.25 -5.12 105.19 105.72 1wb9 n GLY 63 Ca -0.15 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1wb9 n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wb9 s GLU 64 N 0.00 4.36 0.50 1.61 2.02 -1.26 -4.84 118.70 121.09 1wb9 s GLU 64 Ca 0.00 1.59 -0.22 0.00 0.02 0.00 0.00 54.97 56.35 1wb9 s GLU 64 Cb 0.00 -3.57 -0.06 0.00 0.10 0.00 0.00 34.13 30.60 1wb9 s GLU 64 CO 0.00 -0.43 1.23 -2.14 0.02 0.00 0.00 175.26 173.94 1wb9 s PRO 65 N 2.26 3.51 -0.37 0.39 0.02 -1.26 -4.57 135.00 134.97 1wb9 s PRO 65 Ca 0.53 1.92 -0.13 0.00 0.02 0.00 0.00 61.00 63.35 1wb9 s PRO 65 Cb -0.22 -2.32 0.01 0.00 0.02 0.00 0.00 34.50 31.98 1wb9 s PRO 65 CO 0.20 -0.80 0.24 0.42 -0.33 0.00 0.00 177.00 176.73 1wb9 s ILE 66 N -1.47 5.02 0.16 2.83 1.01 -0.62 -4.92 121.20 123.20 1wb9 s ILE 66 Ca 0.67 -0.54 -0.33 0.00 0.00 0.00 0.00 60.65 60.44 1wb9 s ILE 66 Cb -0.32 -3.70 -0.16 0.00 0.01 0.00 0.00 42.46 38.29 1wb9 s ILE 66 CO 0.39 -0.15 1.24 -2.65 0.00 0.00 0.00 174.94 173.77 1wb9 n PRO 67 N 5.08 1.29 -3.89 2.79 -0.02 -1.26 -1.22 135.00 137.78 1wb9 n PRO 67 Ca -0.12 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1wb9 n PRO 67 Cb 0.48 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.83 1wb9 n PRO 67 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1wb9 s MET 68 N -0.15 0.35 0.19 -0.52 1.75 0.03 -1.17 119.30 119.79 1wb9 s MET 68 Ca 0.75 -0.32 -0.19 0.00 -1.25 0.00 0.00 55.69 54.68 1wb9 s MET 68 Cb -0.84 0.14 0.04 0.00 2.84 0.00 0.00 34.83 37.01 1wb9 s MET 68 CO 0.50 -0.07 0.55 0.00 -0.65 0.00 0.00 175.02 175.34 1wb9 s ALA 69 N -1.06 -1.10 -0.04 4.11 0.00 -0.66 -0.98 121.76 122.04 1wb9 s ALA 69 Ca -0.12 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 1wb9 s ALA 69 Cb -0.07 0.85 0.13 0.00 0.00 0.00 0.00 23.12 24.03 1wb9 s ALA 69 CO 0.01 -0.80 1.33 0.20 0.00 0.00 0.00 175.76 176.49 1wb9 s GLY 70 N -2.85 -0.42 -0.02 0.00 0.00 -1.26 -0.16 107.32 102.62 1wb9 s GLY 70 Ca 0.07 0.71 -0.06 0.00 0.00 0.00 0.00 44.72 45.44 1wb9 s GLY 70 CO -0.05 0.66 0.15 -0.26 0.00 0.00 0.00 173.10 173.60 1wb9 s ILE 71 N -2.27 0.05 0.44 0.90 -4.36 -0.37 -4.94 121.20 110.65 1wb9 s ILE 71 Ca 0.16 -0.40 -0.24 0.00 -0.26 0.00 0.00 60.65 59.91 1wb9 s ILE 71 Cb 0.05 -0.34 -0.08 0.00 1.25 0.00 0.00 42.46 43.34 1wb9 s ILE 71 CO -0.04 -0.22 1.24 -2.16 0.24 0.00 0.00 174.94 174.00 1wb9 s PRO 72 N -0.75 3.80 0.48 0.37 0.04 -1.26 -0.97 135.00 136.71 1wb9 s PRO 72 Ca -0.08 1.99 0.14 0.00 0.04 0.00 0.00 61.00 63.09 1wb9 s PRO 72 Cb -0.05 -2.56 1.12 0.00 0.04 0.00 0.00 34.50 33.05 1wb9 s PRO 72 CO 0.01 -0.58 2.08 0.10 0.04 0.00 0.00 177.00 178.65 1wb9 h TYR 73 N 2.30 0.07 0.00 0.56 -0.00 -0.77 -1.75 116.97 117.39 1wb9 h TYR 73 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.23 1wb9 h TYR 73 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.96 1wb9 h TYR 73 CO 0.52 0.11 0.00 1.12 -0.00 0.00 0.00 178.16 179.91 1wb9 h HIS 74 N 0.07 0.00 -0.62 0.10 2.07 -1.90 -2.94 115.15 111.94 1wb9 h HIS 74 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1wb9 h HIS 74 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 1wb9 h HIS 74 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1wb9 n ALA 75 N -1.87 2.40 -0.23 6.11 0.00 -0.66 -4.69 120.51 121.57 1wb9 n ALA 75 Ca 0.04 -1.12 -0.03 0.00 0.00 0.00 0.00 53.44 52.33 1wb9 n ALA 75 Cb 0.36 -0.94 0.08 0.00 0.00 0.00 0.00 19.45 18.96 1wb9 n ALA 75 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1wb9 h VAL 76 N 3.90 1.01 -0.93 0.00 3.04 -1.58 -3.01 116.25 118.67 1wb9 h VAL 76 Ca 0.00 -0.25 0.11 0.00 -1.01 0.00 0.00 66.70 65.55 1wb9 h VAL 76 Cb 0.89 0.23 -0.08 0.00 -2.01 0.00 0.00 31.29 30.32 1wb9 h VAL 76 CO 0.00 0.13 0.56 -0.08 -1.01 0.00 0.00 177.57 177.18 1wb9 h GLU 77 N 0.72 0.88 -0.41 4.17 4.81 -1.85 0.53 114.58 123.43 1wb9 h GLU 77 Ca 0.28 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1wb9 h GLU 77 Cb 0.12 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1wb9 h GLU 77 CO -0.15 0.58 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.78 1wb9 h ASN 78 N 0.90 0.72 -0.44 1.04 2.35 -1.90 -1.73 115.58 116.52 1wb9 h ASN 78 Ca 0.46 -0.32 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 1wb9 h ASN 78 Cb 0.45 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1wb9 h ASN 78 CO -0.26 0.86 -0.11 1.88 -1.65 0.00 0.00 177.43 178.15 1wb9 h TYR 79 N 0.56 1.00 -0.63 1.19 0.05 -1.43 -2.36 116.97 115.35 1wb9 h TYR 79 Ca 0.11 -0.20 0.01 0.00 0.05 0.00 0.00 58.73 58.71 1wb9 h TYR 79 Cb 0.51 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 1wb9 h TYR 79 CO 0.04 0.96 0.42 -0.07 -1.05 0.00 0.00 178.16 178.45 1wb9 h LEU 80 N 0.81 0.70 -0.44 3.88 3.38 -0.76 -2.45 115.31 120.43 1wb9 h LEU 80 Ca 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1wb9 h LEU 80 Cb 0.64 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1wb9 h LEU 80 CO 0.04 0.50 0.22 0.00 0.09 0.00 0.00 178.44 179.29 1wb9 h ALA 81 N 1.62 0.56 -0.69 1.53 0.00 -0.81 -1.71 119.26 119.76 1wb9 h ALA 81 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wb9 h ALA 81 Cb -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1wb9 h ALA 81 CO -0.06 0.12 0.42 0.87 0.00 0.00 0.00 179.25 180.60 1wb9 h LYS 82 N 0.57 0.93 0.10 0.00 1.57 -1.14 -2.41 116.57 116.18 1wb9 h LYS 82 Ca 0.15 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1wb9 h LYS 82 Cb 0.10 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1wb9 h LYS 82 CO -0.02 0.66 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.40 1wb9 h LEU 83 N 0.94 -0.11 -1.48 2.94 3.38 -1.32 -3.07 115.31 116.59 1wb9 h LEU 83 Ca 0.25 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1wb9 h LEU 83 Cb -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1wb9 h LEU 83 CO -0.05 0.25 -0.25 1.62 0.09 0.00 0.00 178.44 180.10 1wb9 h VAL 84 N -0.49 0.90 0.00 1.22 3.04 -1.30 -0.96 116.25 118.66 1wb9 h VAL 84 Ca -0.01 -0.96 -0.03 0.00 -1.01 0.00 0.00 66.70 64.68 1wb9 h VAL 84 Cb 0.41 1.56 -0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1wb9 h VAL 84 CO 0.02 0.25 -0.15 0.78 -1.01 0.00 0.00 177.57 177.46 1wb9 h ASN 85 N 0.00 0.00 -0.59 3.17 4.21 -1.43 -2.08 115.58 118.86 1wb9 h ASN 85 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1wb9 h ASN 85 Cb 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1wb9 h ASN 85 CO 0.03 0.15 0.00 0.00 -1.29 0.00 0.00 177.43 176.32 1wb9 n GLN 86 N -3.38 4.12 -1.05 0.81 6.02 -0.46 -4.96 117.38 118.48 1wb9 n GLN 86 Ca -0.00 -2.85 -0.02 0.00 -0.01 0.00 0.00 57.00 54.12 1wb9 n GLN 86 Cb 0.35 -2.04 -0.01 0.00 1.02 0.00 0.00 30.24 29.57 1wb9 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wb9 n GLY 87 N 0.88 0.38 3.77 1.08 0.00 -0.78 -4.99 105.19 105.53 1wb9 n GLY 87 Ca 0.25 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1wb9 n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wb9 s GLU 88 N -1.40 4.37 0.39 1.61 0.41 -0.62 -4.80 118.70 118.65 1wb9 s GLU 88 Ca 0.00 0.88 -0.07 0.00 -0.41 0.00 0.00 54.97 55.36 1wb9 s GLU 88 Cb 0.00 -3.31 -0.05 0.00 -1.78 0.00 0.00 34.13 28.99 1wb9 s GLU 88 CO 0.00 0.46 0.70 -1.12 -0.49 0.00 0.00 175.26 174.81 1wb9 s SER 89 N -0.56 6.44 -0.11 -0.19 0.01 -1.26 -3.90 113.70 114.11 1wb9 s SER 89 Ca 0.33 0.94 -0.05 0.00 1.31 0.00 0.00 55.95 58.48 1wb9 s SER 89 Cb -0.20 -2.24 0.05 0.00 0.21 0.00 0.00 66.02 63.84 1wb9 s SER 89 CO 0.20 -0.38 0.24 -0.69 0.41 0.00 0.00 173.24 173.03 1wb9 s VAL 90 N -2.37 -0.22 0.00 3.43 1.01 -0.42 -3.53 120.40 118.30 1wb9 s VAL 90 Ca 0.48 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 62.41 1wb9 s VAL 90 Cb -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1wb9 s VAL 90 CO 0.34 0.09 0.84 0.00 0.00 0.00 0.00 175.10 176.38 1wb9 s ALA 91 N 1.85 3.27 -0.32 5.51 0.00 0.04 -1.01 121.76 131.10 1wb9 s ALA 91 Ca -0.04 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.19 1wb9 s ALA 91 Cb -0.11 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1wb9 s ALA 91 CO -0.08 -0.10 0.15 0.42 0.00 0.00 0.00 175.76 176.15 1wb9 s ILE 92 N 0.59 4.54 -0.18 0.00 -1.09 0.72 -0.84 121.20 124.94 1wb9 s ILE 92 Ca 0.44 -0.50 -0.05 0.00 -2.23 0.00 0.00 60.65 58.32 1wb9 s ILE 92 Cb -0.20 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1wb9 s ILE 92 CO 0.24 0.03 -0.01 0.00 -1.23 0.00 0.00 174.94 173.97 1wb9 s GLU 94 N 0.65 2.03 -0.17 0.00 0.41 0.07 -2.41 118.70 119.27 1wb9 s GLU 94 Ca -0.01 -1.75 -0.27 0.00 -0.41 0.00 0.00 54.97 52.53 1wb9 s GLU 94 Cb -0.14 -1.90 -0.01 0.00 -1.78 0.00 0.00 34.13 30.30 1wb9 s GLU 94 CO 0.02 0.17 0.94 -0.65 -0.49 0.00 0.00 175.26 175.25 1wb9 s GLN 95 N -3.68 4.31 -0.24 1.61 -0.21 -1.26 -2.01 119.66 118.18 1wb9 s GLN 95 Ca 0.34 1.21 -0.17 0.00 0.02 0.00 0.00 55.36 56.76 1wb9 s GLN 95 Cb -0.01 -3.59 -0.16 0.00 1.00 0.00 0.00 33.01 30.25 1wb9 s GLN 95 CO 0.19 -0.43 -0.06 -0.89 -2.12 0.00 0.00 175.29 171.98 1wb9 n ILE 96 N 4.89 1.54 -1.36 1.08 2.08 0.14 -4.97 119.36 122.77 1wb9 n ILE 96 Ca 0.08 -0.24 -0.29 0.00 0.56 0.00 0.00 62.75 62.86 1wb9 n ILE 96 Cb 0.48 -1.93 0.14 0.00 -0.75 0.00 0.00 39.64 37.58 1wb9 n ILE 96 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1wb9 s GLY 97 N -5.25 1.59 -0.26 7.39 0.00 -1.10 -4.96 107.32 104.73 1wb9 s GLY 97 Ca -0.34 -0.34 -0.19 0.00 0.00 0.00 0.00 44.72 43.85 1wb9 s GLY 97 CO 0.55 0.20 0.56 -0.35 0.00 0.00 0.00 173.10 174.07 1wb9 s ASP 98 N -3.72 6.48 0.45 1.64 -1.08 -1.26 -4.80 116.67 114.39 1wb9 s ASP 98 Ca 0.64 0.56 0.11 0.00 -0.52 0.00 0.00 52.55 53.34 1wb9 s ASP 98 Cb -0.16 -2.30 1.02 0.00 -1.46 0.00 0.00 42.92 40.01 1wb9 s ASP 98 CO 0.55 -0.34 2.08 1.55 0.52 0.00 0.00 175.17 179.53 1wb9 h PRO 99 N 8.00 0.34 0.00 4.34 0.13 -1.96 -2.60 132.00 140.26 1wb9 h PRO 99 Ca -0.28 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1wb9 h PRO 99 Cb 1.13 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1wb9 h PRO 99 CO 0.74 0.23 -0.09 0.00 -0.23 0.00 0.00 178.00 178.65 1wb9 h ALA 100 N 1.82 1.14 -0.23 -0.56 0.00 -1.99 -2.75 119.26 116.69 1wb9 h ALA 100 Ca 0.12 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1wb9 h ALA 100 Cb 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1wb9 h ALA 100 CO -0.03 0.11 -0.19 0.25 0.00 0.00 0.00 179.25 179.39 1wb9 n THR 101 N -3.40 2.42 -4.12 0.00 -2.24 -0.99 -4.98 114.28 100.97 1wb9 n THR 101 Ca -0.01 -2.83 -0.28 0.00 -2.27 0.00 0.00 64.05 58.66 1wb9 n THR 101 Cb 0.25 -0.29 -0.17 0.00 -2.10 0.00 0.00 70.33 68.02 1wb9 n THR 101 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wb9 s SER 102 N -2.72 2.33 0.00 3.42 0.01 -1.04 -4.95 113.70 110.75 1wb9 s SER 102 Ca 0.42 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.29 1wb9 s SER 102 Cb 0.39 -0.98 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 1wb9 s SER 102 CO -0.02 -0.06 0.97 0.50 0.41 0.00 0.00 173.24 175.05 1wb9 h LYS 103 N 7.85 -0.04 0.00 12.44 3.64 -1.93 -3.45 116.57 135.08 1wb9 h LYS 103 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1wb9 h LYS 103 Cb 1.15 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1wb9 h LYS 103 CO 0.47 -0.03 0.00 0.41 -2.27 0.00 0.00 179.45 178.03 1wb9 n GLY 104 N -0.89 0.37 3.64 5.01 0.00 -1.26 -5.01 105.19 107.05 1wb9 n GLY 104 Ca -0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1wb9 n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wb9 n PRO 105 N 0.00 1.62 -2.06 1.61 -0.02 -1.26 -4.96 135.00 129.93 1wb9 n PRO 105 Ca 0.00 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 1wb9 n PRO 105 Cb 0.00 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1wb9 n PRO 105 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wb9 s VAL 106 N -1.18 3.02 0.20 -1.45 0.11 -1.26 -4.94 120.40 114.90 1wb9 s VAL 106 Ca 0.60 0.59 -0.33 0.00 -2.93 0.00 0.00 61.98 59.92 1wb9 s VAL 106 Cb -0.58 -3.19 -0.13 0.00 -1.53 0.00 0.00 36.38 30.95 1wb9 s VAL 106 CO 0.59 -0.18 1.59 1.21 -3.33 0.00 0.00 175.10 174.98 1wb9 n GLU 107 N -1.68 2.35 -4.65 1.54 2.13 -1.26 -4.85 120.64 114.22 1wb9 n GLU 107 Ca 0.12 0.84 -0.24 0.00 0.66 0.00 0.00 57.16 58.55 1wb9 n GLU 107 Cb 0.51 -2.62 -0.16 0.00 0.27 0.00 0.00 31.44 29.44 1wb9 n GLU 107 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1wb9 s ARG 108 N 0.59 1.43 0.07 5.31 0.52 -1.26 0.27 118.95 125.88 1wb9 s ARG 108 Ca 0.74 -0.48 0.06 0.00 -0.52 0.00 0.00 55.73 55.53 1wb9 s ARG 108 Cb -0.61 -1.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.56 1wb9 s ARG 108 CO 0.40 0.19 -0.17 0.15 0.02 0.00 0.00 175.30 175.89 1wb9 s LYS 109 N 0.09 1.02 -0.37 3.54 1.02 -0.85 -4.94 119.74 119.25 1wb9 s LYS 109 Ca -0.03 -0.95 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 1wb9 s LYS 109 Cb -0.10 -1.12 0.01 0.00 -0.52 0.00 0.00 37.83 36.10 1wb9 s LYS 109 CO 0.01 0.27 1.22 0.08 -0.92 0.00 0.00 175.35 176.01 1wb9 s VAL 110 N -1.04 4.20 -0.32 3.17 1.01 -1.26 -0.75 120.40 125.41 1wb9 s VAL 110 Ca 0.03 1.31 0.23 0.00 0.00 0.00 0.00 61.98 63.54 1wb9 s VAL 110 Cb -0.09 -4.35 -0.13 0.00 0.00 0.00 0.00 36.38 31.81 1wb9 s VAL 110 CO 0.02 -0.68 0.89 1.33 0.00 0.00 0.00 175.10 176.67 1wb9 n VAL 111 N 6.46 0.30 -3.50 2.92 0.24 0.03 -4.95 118.33 119.82 1wb9 n VAL 111 Ca 0.14 -0.43 -0.09 0.00 -2.04 0.00 0.00 64.34 61.92 1wb9 n VAL 111 Cb 0.48 -0.06 -0.02 0.00 -1.47 0.00 0.00 33.84 32.77 1wb9 n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wb9 s ARG 112 N -3.34 0.88 -0.14 7.34 1.70 -1.19 -4.52 118.95 119.68 1wb9 s ARG 112 Ca -0.01 -0.33 -0.01 0.00 -0.47 0.00 0.00 55.73 54.92 1wb9 s ARG 112 Cb 0.12 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.94 1wb9 s ARG 112 CO 0.82 -0.38 -0.06 0.42 -1.08 0.00 0.00 175.30 175.02 1wb9 s ILE 113 N -3.19 1.03 -0.24 4.99 1.01 0.10 -0.20 121.20 124.70 1wb9 s ILE 113 Ca 0.05 -0.43 -0.25 0.00 0.00 0.00 0.00 60.65 60.02 1wb9 s ILE 113 Cb -0.01 -1.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.32 1wb9 s ILE 113 CO -0.09 0.25 0.85 -0.69 0.00 0.00 0.00 174.94 175.26 1wb9 s VAL 114 N 1.69 4.82 0.11 2.92 1.01 -0.18 -4.69 120.40 126.08 1wb9 s VAL 114 Ca 0.03 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.66 1wb9 s VAL 114 Cb -0.14 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1wb9 s VAL 114 CO -0.08 -0.08 -0.08 0.42 0.00 0.00 0.00 175.10 175.28 1wb9 s THR 115 N 2.85 0.86 0.44 3.92 -4.23 -1.26 -1.30 115.64 116.93 1wb9 s THR 115 Ca 0.36 -1.85 0.15 0.00 -1.18 0.00 0.00 61.69 59.17 1wb9 s THR 115 Cb -0.15 -1.59 0.34 0.00 1.34 0.00 0.00 72.50 72.43 1wb9 s THR 115 CO 0.07 -0.74 1.98 -0.65 -0.54 0.00 0.00 174.62 174.74 1wb9 h PRO 116 N 3.14 0.35 -0.40 3.99 0.11 -1.86 -2.05 132.00 135.27 1wb9 h PRO 116 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1wb9 h PRO 116 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1wb9 h PRO 116 CO 0.60 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 1wb9 n GLY 117 N -1.53 1.78 0.06 -0.55 0.00 -1.26 -4.40 105.19 99.28 1wb9 n GLY 117 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1wb9 n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wb9 n THR 118 N 1.51 1.00 -2.41 2.61 -2.24 -0.78 -3.37 114.28 110.60 1wb9 n THR 118 Ca 0.20 -1.00 -0.38 0.00 -2.27 0.00 0.00 64.05 60.59 1wb9 n THR 118 Cb 0.61 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 1wb9 n THR 118 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1wb9 s ILE 119 N -1.00 3.40 0.00 2.28 -4.36 -1.17 -4.81 121.20 115.54 1wb9 s ILE 119 Ca 0.02 1.21 0.00 0.00 -0.26 0.00 0.00 60.65 61.62 1wb9 s ILE 119 Cb 0.01 -3.69 0.00 0.00 1.25 0.00 0.00 42.46 40.03 1wb9 s ILE 119 CO 0.01 0.14 0.30 -1.54 0.24 0.00 0.00 174.94 174.09 1wb9 n SER 120 N 0.35 0.36 -4.76 4.36 3.41 -1.26 -4.66 113.62 111.41 1wb9 n SER 120 Ca 0.03 -1.09 -0.40 0.00 -0.26 0.00 0.00 58.87 57.15 1wb9 n SER 120 Cb 0.47 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1wb9 n SER 120 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wb9 s ASP 121 N -0.09 7.26 0.33 4.04 1.01 -1.26 -4.83 116.67 123.13 1wb9 s ASP 121 Ca 0.00 1.50 0.04 0.00 0.71 0.00 0.00 52.55 54.80 1wb9 s ASP 121 Cb 0.00 -2.47 0.66 0.00 1.01 0.00 0.00 42.92 42.12 1wb9 s ASP 121 CO 0.00 0.10 1.90 -0.08 0.21 0.00 0.00 175.17 177.30 1wb9 h GLU 122 N 5.14 0.85 0.00 8.23 4.81 -1.97 -1.57 114.58 130.06 1wb9 h GLU 122 Ca -0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1wb9 h GLU 122 Cb 1.21 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1wb9 h GLU 122 CO 0.69 0.56 0.00 0.00 -0.73 0.00 0.00 179.01 179.53 1wb9 h ALA 123 N 1.56 1.00 -0.01 2.92 0.00 -2.01 -3.09 119.26 119.63 1wb9 h ALA 123 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1wb9 h ALA 123 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wb9 h ALA 123 CO -0.17 0.00 -0.71 1.28 0.00 0.00 0.00 179.25 179.66 1wb9 n LEU 124 N -2.58 1.45 -4.72 0.00 4.77 -0.60 -4.99 117.00 110.33 1wb9 n LEU 124 Ca 0.01 -0.63 -0.24 0.00 -0.03 0.00 0.00 56.01 55.12 1wb9 n LEU 124 Cb 0.25 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1wb9 n LEU 124 CO 0.22 0.30 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.55 1wb9 s LEU 125 N -2.68 3.49 -0.11 2.23 1.43 -1.17 -5.01 118.68 116.85 1wb9 s LEU 125 Ca 0.13 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 1wb9 s LEU 125 Cb 0.16 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1wb9 s LEU 125 CO 0.69 0.03 0.45 -1.10 0.23 0.00 0.00 176.35 176.65 1wb9 s GLN 126 N -3.38 4.30 0.14 1.70 -0.21 -1.26 -4.99 119.66 115.96 1wb9 s GLN 126 Ca 0.30 0.41 -0.18 0.00 0.02 0.00 0.00 55.36 55.91 1wb9 s GLN 126 Cb -0.08 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.53 1wb9 s GLN 126 CO 0.21 0.21 1.73 0.93 -2.12 0.00 0.00 175.29 176.25 1wb9 h GLU 127 N 6.55 0.14 -0.60 2.91 5.08 -1.98 -3.03 114.58 123.66 1wb9 h GLU 127 Ca -0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1wb9 h GLU 127 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1wb9 h GLU 127 CO 0.74 0.10 0.00 0.54 -1.00 0.00 0.00 179.01 179.39 1wb9 n ARG 128 N -5.10 4.30 -4.45 2.33 1.74 -1.26 -4.69 116.66 109.53 1wb9 n ARG 128 Ca -0.00 -3.03 -0.22 0.00 -0.77 0.00 0.00 57.85 53.82 1wb9 n ARG 128 Cb 0.13 -2.08 -0.16 0.00 -1.02 0.00 0.00 32.46 29.33 1wb9 n ARG 128 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wb9 s GLN 129 N -2.34 1.23 0.64 5.56 -0.21 -1.15 -4.45 119.66 118.94 1wb9 s GLN 129 Ca 0.53 -0.33 -0.18 0.00 0.02 0.00 0.00 55.36 55.40 1wb9 s GLN 129 Cb 0.37 -1.10 -0.01 0.00 1.00 0.00 0.00 33.01 33.28 1wb9 s GLN 129 CO 0.20 0.07 1.22 -0.51 -2.12 0.00 0.00 175.29 174.14 1wb9 s ASP 130 N 0.43 4.87 -0.31 5.90 1.01 -1.26 -4.65 116.67 122.65 1wb9 s ASP 130 Ca -0.08 2.40 -0.02 0.00 0.71 0.00 0.00 52.55 55.56 1wb9 s ASP 130 Cb -0.12 -2.60 0.10 0.00 1.01 0.00 0.00 42.92 41.32 1wb9 s ASP 130 CO 0.02 -1.81 0.12 0.21 0.21 0.00 0.00 175.17 173.91 1wb9 s ASN 131 N -1.72 3.84 -0.05 0.27 3.84 -1.26 -4.99 114.94 114.87 1wb9 s ASN 131 Ca 0.77 -1.58 -0.02 0.00 0.21 0.00 0.00 52.86 52.23 1wb9 s ASN 131 Cb -0.31 -0.70 -0.04 0.00 -0.55 0.00 0.00 41.25 39.66 1wb9 s ASN 131 CO 0.37 -0.42 0.09 -0.76 -2.79 0.00 0.00 177.10 173.59 1wb9 s LEU 132 N 1.71 3.98 0.13 3.21 1.43 -1.26 -4.51 118.68 123.37 1wb9 s LEU 132 Ca 0.10 0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 1wb9 s LEU 132 Cb -0.17 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 1wb9 s LEU 132 CO -0.27 0.33 0.56 -0.22 0.23 0.00 0.00 176.35 176.97 1wb9 s LEU 133 N -1.41 4.37 0.11 1.79 2.96 -0.60 -0.83 118.68 125.07 1wb9 s LEU 133 Ca 0.19 1.12 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 1wb9 s LEU 133 Cb -0.12 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 1wb9 s LEU 133 CO 0.10 0.13 0.04 0.00 -1.32 0.00 0.00 176.35 175.30 1wb9 s ALA 134 N -1.40 0.75 -0.02 5.97 0.00 -0.55 -0.78 121.76 125.74 1wb9 s ALA 134 Ca 0.36 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1wb9 s ALA 134 Cb -0.16 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1wb9 s ALA 134 CO 0.19 -0.46 0.04 0.00 0.00 0.00 0.00 175.76 175.53 1wb9 s ALA 135 N -4.01 -0.10 0.01 0.00 0.00 -0.38 -0.46 121.76 116.82 1wb9 s ALA 135 Ca 0.19 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1wb9 s ALA 135 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1wb9 s ALA 135 CO -0.01 -0.02 -0.05 -1.50 0.00 0.00 0.00 175.76 174.18 1wb9 s ILE 136 N 0.04 0.33 -0.10 0.00 2.07 0.10 -1.51 121.20 122.14 1wb9 s ILE 136 Ca -0.00 -0.52 -0.09 0.00 -1.41 0.00 0.00 60.65 58.63 1wb9 s ILE 136 Cb -0.01 -0.34 0.03 0.00 0.13 0.00 0.00 42.46 42.27 1wb9 s ILE 136 CO -0.00 -0.13 0.26 0.86 -1.91 0.00 0.00 174.94 174.02 1wb9 s TRP 137 N -0.64 -0.30 -0.10 3.50 -0.11 -0.59 -2.65 118.94 118.05 1wb9 s TRP 137 Ca -0.04 0.72 0.01 0.00 1.22 0.00 0.00 56.10 58.01 1wb9 s TRP 137 Cb -0.05 0.09 0.02 0.00 -1.50 0.00 0.00 33.47 32.03 1wb9 s TRP 137 CO -0.00 -0.15 -0.12 -1.14 -4.62 0.00 0.00 176.95 170.92 1wb9 s GLN 138 N 0.30 1.83 0.87 5.86 0.74 -1.26 -1.07 119.66 126.93 1wb9 s GLN 138 Ca -0.01 -0.41 -0.09 0.00 0.05 0.00 0.00 55.36 54.89 1wb9 s GLN 138 Cb -0.03 -1.65 0.17 0.00 1.10 0.00 0.00 33.01 32.60 1wb9 s GLN 138 CO -0.01 -0.12 1.19 0.34 -0.55 0.00 0.00 175.29 176.14 1wb9 s ASP 139 N 1.17 3.59 0.39 6.67 -1.08 0.34 -4.88 116.67 122.86 1wb9 s ASP 139 Ca -0.04 -0.05 0.16 0.00 -0.52 0.00 0.00 52.55 52.10 1wb9 s ASP 139 Cb -0.14 -0.11 0.80 0.00 -1.46 0.00 0.00 42.92 42.00 1wb9 s ASP 139 CO -0.03 -2.40 1.83 0.28 0.52 0.00 0.00 175.17 175.38 1wb9 h SER 140 N -1.18 0.00 0.20 -0.34 0.02 -2.03 -3.31 113.55 106.91 1wb9 h SER 140 Ca -0.41 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1wb9 h SER 140 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1wb9 h SER 140 CO 0.38 0.35 -1.82 0.29 -1.14 0.00 0.00 176.83 174.89 1wb9 n LYS 141 N -3.91 0.65 -0.12 3.45 5.02 -1.26 -5.09 118.16 116.90 1wb9 n LYS 141 Ca -0.02 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1wb9 n LYS 141 Cb 0.41 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1wb9 n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wb9 n GLY 142 N 1.27 -0.63 3.21 0.72 0.00 -1.25 -4.78 105.19 103.74 1wb9 n GLY 142 Ca -0.05 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 1wb9 n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wb9 s PHE 143 N -3.97 1.35 -0.04 1.61 0.08 -0.98 -0.50 117.98 115.53 1wb9 s PHE 143 Ca 0.00 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 56.58 1wb9 s PHE 143 Cb 0.00 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 1wb9 s PHE 143 CO 0.00 0.11 -0.12 0.20 -0.10 0.00 0.00 175.22 175.31 1wb9 s GLY 144 N -2.11 1.60 -0.04 4.36 0.00 -0.23 -3.32 107.32 107.59 1wb9 s GLY 144 Ca 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 1wb9 s GLY 144 CO 0.03 -0.79 0.12 -0.47 0.00 0.00 0.00 173.10 171.98 1wb9 s TYR 145 N -0.80 -0.09 -0.03 1.90 5.04 -0.70 -1.54 117.35 121.13 1wb9 s TYR 145 Ca 0.13 0.22 -0.09 0.00 -2.44 0.00 0.00 57.07 54.89 1wb9 s TYR 145 Cb -0.11 0.02 0.01 0.00 0.35 0.00 0.00 41.96 42.24 1wb9 s TYR 145 CO 0.02 -0.10 0.20 0.00 -1.34 0.00 0.00 175.55 174.33 1wb9 s ALA 146 N -0.21 -0.50 0.03 3.97 0.00 -0.57 -1.08 121.76 123.40 1wb9 s ALA 146 Ca -0.03 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1wb9 s ALA 146 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1wb9 s ALA 146 CO 0.00 -0.18 -0.09 0.95 0.00 0.00 0.00 175.76 176.45 1wb9 s THR 147 N -0.80 0.66 -0.03 0.00 -4.23 -0.27 -1.25 115.64 109.71 1wb9 s THR 147 Ca -0.09 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1wb9 s THR 147 Cb -0.05 -0.65 0.02 0.00 1.34 0.00 0.00 72.50 73.16 1wb9 s THR 147 CO 0.02 -0.16 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.70 1wb9 s LEU 148 N -1.12 1.30 -0.50 4.79 2.96 0.04 -1.48 118.68 124.68 1wb9 s LEU 148 Ca -0.04 -0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 53.66 1wb9 s LEU 148 Cb -0.07 -0.28 0.10 0.00 0.50 0.00 0.00 46.19 46.44 1wb9 s LEU 148 CO 0.01 -0.07 0.43 -0.62 -1.32 0.00 0.00 176.35 174.77 1wb9 s ASP 149 N 0.87 6.11 0.47 3.68 2.15 -0.52 -1.55 116.67 127.88 1wb9 s ASP 149 Ca -0.10 -1.58 0.31 0.00 0.43 0.00 0.00 52.55 51.62 1wb9 s ASP 149 Cb -0.13 -2.17 1.37 0.00 -0.30 0.00 0.00 42.92 41.69 1wb9 s ASP 149 CO -0.01 -0.74 1.94 -0.29 -0.17 0.00 0.00 175.17 175.90 1wb9 h ILE 150 N 5.86 0.00 -0.30 4.11 2.10 -1.83 0.14 117.51 127.58 1wb9 h ILE 150 Ca -0.28 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.31 1wb9 h ILE 150 Cb 1.10 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1wb9 h ILE 150 CO 0.94 0.00 0.00 -1.20 -1.08 0.00 0.00 178.15 176.81 1wb9 n SER 151 N -2.80 2.32 0.00 2.19 7.64 -1.26 -4.19 113.62 117.52 1wb9 n SER 151 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1wb9 n SER 151 Cb 0.24 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1wb9 n SER 151 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wb9 n SER 152 N 0.75 0.39 0.00 6.43 3.41 -1.00 -3.90 113.62 119.70 1wb9 n SER 152 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1wb9 n SER 152 Cb 0.41 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1wb9 n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wb9 n GLY 153 N 0.33 0.75 3.65 5.00 0.00 0.44 -4.91 105.19 110.45 1wb9 n GLY 153 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wb9 n GLY 153 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wb9 s ARG 154 N -0.50 4.05 -0.08 1.61 3.52 -1.21 -4.59 118.95 121.75 1wb9 s ARG 154 Ca 0.00 2.11 -0.00 0.00 -0.13 0.00 0.00 55.73 57.71 1wb9 s ARG 154 Cb 0.00 -4.03 0.02 0.00 -1.56 0.00 0.00 34.95 29.38 1wb9 s ARG 154 CO 0.00 -1.00 -0.05 0.12 -0.81 0.00 0.00 175.30 173.55 1wb9 s PHE 155 N 4.51 1.11 0.02 5.12 5.36 -1.26 -1.44 117.98 131.40 1wb9 s PHE 155 Ca 0.76 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 56.28 1wb9 s PHE 155 Cb -0.32 -0.99 -0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1wb9 s PHE 155 CO 0.31 -0.38 -0.06 1.03 -1.46 0.00 0.00 175.22 174.66 1wb9 s ARG 156 N 1.54 0.42 0.12 10.12 1.81 -0.55 -2.18 118.95 130.24 1wb9 s ARG 156 Ca 0.00 -0.51 0.04 0.00 -1.72 0.00 0.00 55.73 53.53 1wb9 s ARG 156 Cb -0.13 -0.24 -0.04 0.00 -0.45 0.00 0.00 34.95 34.09 1wb9 s ARG 156 CO -0.05 0.05 -0.09 -0.48 -0.68 0.00 0.00 175.30 174.05 1wb9 s LEU 157 N -1.02 2.48 0.28 2.53 0.05 -0.47 -1.11 118.68 121.41 1wb9 s LEU 157 Ca -0.07 -0.94 -0.19 0.00 0.05 0.00 0.00 54.13 52.98 1wb9 s LEU 157 Cb -0.07 -0.28 0.02 0.00 -2.05 0.00 0.00 46.19 43.81 1wb9 s LEU 157 CO -0.00 -0.33 0.68 -0.94 -0.55 0.00 0.00 176.35 175.20 1wb9 s SER 158 N -2.88 -0.22 -0.39 1.48 1.04 -0.24 -0.18 113.70 112.31 1wb9 s SER 158 Ca 0.12 -0.69 0.08 0.00 0.48 0.00 0.00 55.95 55.94 1wb9 s SER 158 Cb 0.01 0.71 0.26 0.00 0.10 0.00 0.00 66.02 67.09 1wb9 s SER 158 CO -0.01 -1.32 0.53 -0.62 0.98 0.00 0.00 173.24 172.81 1wb9 n GLU 159 N -0.45 0.74 -1.68 4.02 1.02 -1.26 -1.72 120.64 121.31 1wb9 n GLU 159 Ca -0.04 -3.24 -0.46 0.00 -0.02 0.00 0.00 57.16 53.41 1wb9 n GLU 159 Cb 0.60 -1.24 -0.04 0.00 -0.02 0.00 0.00 31.44 30.73 1wb9 n GLU 159 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1wb9 n PRO 160 N 1.35 2.33 0.23 3.49 -0.02 -1.21 -4.77 135.00 136.40 1wb9 n PRO 160 Ca 0.21 0.85 0.11 0.00 -2.02 0.00 0.00 63.50 62.65 1wb9 n PRO 160 Cb 0.54 -2.67 0.48 0.00 -0.02 0.00 0.00 33.50 31.82 1wb9 n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wb9 h ALA 161 N 7.58 1.00 -2.94 3.55 0.00 -1.92 -2.59 119.26 123.94 1wb9 h ALA 161 Ca -0.46 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.08 1wb9 h ALA 161 Cb 1.25 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1wb9 h ALA 161 CO 0.92 0.21 -0.09 0.16 0.00 0.00 0.00 179.25 180.45 1wb9 s ASP 162 N -6.09 0.67 0.11 0.00 1.47 -1.26 -4.47 116.67 107.10 1wb9 s ASP 162 Ca 0.01 -1.38 -0.19 0.00 1.18 0.00 0.00 52.55 52.17 1wb9 s ASP 162 Cb 0.10 0.70 -0.06 0.00 -0.34 0.00 0.00 42.92 43.31 1wb9 s ASP 162 CO 0.62 -1.37 1.67 -0.09 0.68 0.00 0.00 175.17 176.68 1wb9 h ARG 163 N 2.09 0.38 -0.65 2.11 2.43 -1.97 -1.66 114.38 117.10 1wb9 h ARG 163 Ca -0.29 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 1wb9 h ARG 163 Cb 1.24 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 1wb9 h ARG 163 CO 0.39 0.39 0.31 1.49 -1.51 0.00 0.00 179.97 181.04 1wb9 h GLU 164 N 0.28 0.94 -0.34 0.20 4.57 -1.99 0.15 114.58 118.40 1wb9 h GLU 164 Ca 0.09 -0.14 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 1wb9 h GLU 164 Cb 0.14 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1wb9 h GLU 164 CO -0.01 0.75 -0.23 1.15 -1.18 0.00 0.00 179.01 179.49 1wb9 h THR 165 N 0.90 1.27 -0.56 0.32 2.02 -1.96 -1.03 112.91 113.88 1wb9 h THR 165 Ca 0.22 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.03 1wb9 h THR 165 Cb 0.12 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1wb9 h THR 165 CO -0.03 0.43 0.10 -0.03 0.37 0.00 0.00 175.52 176.36 1wb9 h MET 166 N 0.58 0.92 -0.80 6.66 1.85 -0.71 -0.91 114.93 122.52 1wb9 h MET 166 Ca 0.08 -0.24 0.02 0.00 -0.61 0.00 0.00 59.70 58.95 1wb9 h MET 166 Cb 0.71 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.58 1wb9 h MET 166 CO 0.05 0.88 0.53 0.00 -0.40 0.00 0.00 176.91 177.97 1wb9 h ALA 167 N 1.00 1.03 -0.53 0.39 0.00 -0.38 -1.98 119.26 118.80 1wb9 h ALA 167 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wb9 h ALA 167 Cb 0.40 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wb9 h ALA 167 CO 0.01 0.40 0.29 0.00 0.00 0.00 0.00 179.25 179.95 1wb9 h ALA 168 N 1.31 0.67 -0.52 0.00 0.00 -0.75 -1.67 119.26 118.31 1wb9 h ALA 168 Ca 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1wb9 h ALA 168 Cb -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1wb9 h ALA 168 CO -0.08 0.19 0.12 0.93 0.00 0.00 0.00 179.25 180.41 1wb9 h GLU 169 N 0.70 0.79 -0.43 0.00 4.39 -0.81 -0.53 114.58 118.70 1wb9 h GLU 169 Ca 0.19 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 1wb9 h GLU 169 Cb 0.04 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1wb9 h GLU 169 CO -0.03 0.72 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.34 1wb9 h LEU 170 N 0.76 0.78 -0.38 1.33 3.38 -1.09 -1.89 115.31 118.20 1wb9 h LEU 170 Ca 0.17 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1wb9 h LEU 170 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wb9 h LEU 170 CO -0.00 0.92 -0.26 -0.61 0.09 0.00 0.00 178.44 178.58 1wb9 h GLN 171 N 0.70 0.84 -0.19 1.13 4.15 -0.90 0.93 115.11 121.78 1wb9 h GLN 171 Ca 0.12 -0.40 -0.05 0.00 0.77 0.00 0.00 58.65 59.08 1wb9 h GLN 171 Cb 0.61 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 1wb9 h GLN 171 CO 0.04 1.04 -0.09 -0.09 -1.93 0.00 0.00 178.83 177.80 1wb9 h ARG 172 N 0.65 0.40 0.00 1.69 2.43 -1.04 -3.30 114.38 115.21 1wb9 h ARG 172 Ca 0.07 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 1wb9 h ARG 172 Cb 0.83 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1wb9 h ARG 172 CO 0.07 0.70 -1.13 1.79 -1.51 0.00 0.00 179.97 179.89 1wb9 h THR 173 N 0.09 0.48 -6.94 0.20 1.35 -1.40 -3.49 112.91 103.20 1wb9 h THR 173 Ca 0.04 -1.86 -0.59 0.00 -0.55 0.00 0.00 66.41 63.45 1wb9 h THR 173 Cb 0.58 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 69.01 1wb9 h THR 173 CO 0.03 0.27 -1.03 -3.20 -0.25 0.00 0.00 175.52 171.34 1wb9 n ASN 174 N -2.93 -4.21 -4.78 5.36 5.15 0.32 -4.79 115.26 109.38 1wb9 n ASN 174 Ca -0.05 -1.26 -0.41 0.00 -0.60 0.00 0.00 54.58 52.25 1wb9 n ASN 174 Cb 0.77 -1.60 -0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1wb9 n ASN 174 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1wb9 s PRO 175 N -7.10 4.08 0.36 1.20 0.04 -1.26 -4.71 135.00 127.61 1wb9 s PRO 175 Ca 0.42 2.55 0.26 0.00 0.04 0.00 0.00 61.00 64.26 1wb9 s PRO 175 Cb -0.23 -2.95 0.71 0.00 0.04 0.00 0.00 34.50 32.07 1wb9 s PRO 175 CO 0.97 -0.55 1.73 0.00 0.04 0.00 0.00 177.00 179.19 1wb9 h ALA 176 N 2.96 1.00 -2.87 8.56 0.00 -1.30 -3.44 119.26 124.15 1wb9 h ALA 176 Ca -0.51 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1wb9 h ALA 176 Cb 1.24 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.76 1wb9 h ALA 176 CO 0.64 0.00 -0.36 -2.00 0.00 0.00 0.00 179.25 177.53 1wb9 s GLU 177 N -3.25 0.34 -0.23 0.00 2.12 -1.17 -4.11 118.70 112.40 1wb9 s GLU 177 Ca 0.07 0.57 -0.02 0.00 0.36 0.00 0.00 54.97 55.96 1wb9 s GLU 177 Cb 0.08 0.04 0.07 0.00 0.26 0.00 0.00 34.13 34.58 1wb9 s GLU 177 CO 0.60 -0.11 0.03 -1.17 -0.54 0.00 0.00 175.26 174.07 1wb9 s LEU 178 N 0.83 1.76 -0.12 2.70 2.96 -0.28 -1.48 118.68 125.04 1wb9 s LEU 178 Ca -0.05 -1.09 -0.30 0.00 -0.22 0.00 0.00 54.13 52.47 1wb9 s LEU 178 Cb -0.06 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.82 1wb9 s LEU 178 CO -0.06 -0.31 1.05 -0.76 -1.32 0.00 0.00 176.35 174.94 1wb9 s LEU 179 N 1.69 4.23 0.02 -0.68 1.43 0.39 -1.36 118.68 124.40 1wb9 s LEU 179 Ca 0.00 1.56 0.04 0.00 -1.03 0.00 0.00 54.13 54.70 1wb9 s LEU 179 Cb -0.18 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1wb9 s LEU 179 CO -0.11 -0.51 -0.12 -0.72 0.23 0.00 0.00 176.35 175.12 1wb9 s TYR 180 N 2.25 1.08 0.31 0.29 -0.85 -0.53 0.01 117.35 119.91 1wb9 s TYR 180 Ca 0.49 -0.29 -0.29 0.00 -0.52 0.00 0.00 57.07 56.46 1wb9 s TYR 180 Cb -0.19 -0.66 -0.10 0.00 0.38 0.00 0.00 41.96 41.39 1wb9 s TYR 180 CO 0.17 0.01 1.21 0.00 -1.52 0.00 0.00 175.55 175.41 1wb9 s ALA 181 N -0.64 3.45 0.55 9.51 0.00 -1.08 -0.33 121.76 133.21 1wb9 s ALA 181 Ca 0.02 1.09 0.23 0.00 0.00 0.00 0.00 51.96 53.30 1wb9 s ALA 181 Cb -0.06 -3.41 1.45 0.00 0.00 0.00 0.00 23.12 21.10 1wb9 s ALA 181 CO 0.00 -0.42 2.09 1.05 0.00 0.00 0.00 175.76 178.49 1wb9 h GLU 182 N 3.56 0.00 -0.46 0.00 4.11 -1.36 -1.73 114.58 118.70 1wb9 h GLU 182 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1wb9 h GLU 182 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wb9 h GLU 182 CO 0.66 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.34 1wb9 n ASP 183 N -4.24 2.03 -4.68 3.06 5.75 -1.26 -4.94 116.55 112.27 1wb9 n ASP 183 Ca 0.02 -2.12 -0.46 0.00 -0.01 0.00 0.00 54.79 52.23 1wb9 n ASP 183 Cb 0.32 -0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 1wb9 n ASP 183 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1wb9 n PHE 184 N 0.35 2.40 -0.02 2.11 7.35 -0.65 -4.91 117.46 124.08 1wb9 n PHE 184 Ca 0.11 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.58 1wb9 n PHE 184 Cb 0.37 -2.66 -0.13 0.00 0.35 0.00 0.00 39.48 37.41 1wb9 n PHE 184 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wb9 h ALA 185 N 8.33 0.26 -0.60 3.13 0.00 -1.91 -3.41 119.26 125.06 1wb9 h ALA 185 Ca -0.47 -1.19 -0.74 0.00 0.00 0.00 0.00 54.91 52.51 1wb9 h ALA 185 Cb 1.25 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 19.53 1wb9 h ALA 185 CO 0.93 0.91 2.50 -1.91 0.00 0.00 0.00 179.25 181.67 1wb9 n GLU 186 N -3.95 3.79 0.27 0.00 4.07 -1.26 -4.71 120.64 118.84 1wb9 n GLU 186 Ca -0.28 -3.23 0.18 0.00 -0.06 0.00 0.00 57.16 53.76 1wb9 n GLU 186 Cb 0.87 -2.88 0.77 0.00 -0.06 0.00 0.00 31.44 30.14 1wb9 n GLU 186 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1wb9 h MET 187 N 5.38 0.00 -0.02 5.31 2.86 -2.01 -2.52 114.93 123.94 1wb9 h MET 187 Ca 0.56 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.20 1wb9 h MET 187 Cb 0.50 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1wb9 h MET 187 CO 1.64 0.00 0.02 0.66 1.06 0.00 0.00 176.91 180.29 1wb9 h SER 188 N 0.00 0.00 0.89 1.22 4.64 -1.95 -1.49 113.55 116.85 1wb9 h SER 188 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1wb9 h SER 188 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1wb9 h SER 188 CO 0.00 0.00 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.65 1wb9 h LEU 189 N 0.00 0.00 0.00 5.97 3.38 -1.86 -3.40 115.31 119.40 1wb9 h LEU 189 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wb9 h LEU 189 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wb9 h LEU 189 CO -0.00 0.24 -0.70 -0.38 0.09 0.00 0.00 178.44 177.69 1wb9 n ILE 190 N -3.42 0.00 -2.64 1.22 -0.00 -0.75 -4.94 119.36 108.82 1wb9 n ILE 190 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 62.75 62.38 1wb9 n ILE 190 Cb 0.43 -0.12 -0.05 0.00 -0.00 0.00 0.00 39.64 39.90 1wb9 n ILE 190 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 1wb9 s GLU 191 N -1.54 4.38 -1.25 0.38 -1.05 -0.64 -2.21 118.70 116.77 1wb9 s GLU 191 Ca 0.00 1.45 0.00 0.00 -0.15 0.00 0.00 54.97 56.27 1wb9 s GLU 191 Cb 0.00 -2.69 0.00 0.00 -0.44 0.00 0.00 34.13 31.00 1wb9 s GLU 191 CO 0.00 0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.68 1wb9 n GLY 192 N 0.47 1.21 3.87 -3.83 0.00 -1.26 -5.01 105.19 100.64 1wb9 n GLY 192 Ca 0.03 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1wb9 n GLY 192 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wb9 s ARG 193 N -2.88 3.77 0.36 1.61 0.52 -0.94 -5.09 118.95 116.30 1wb9 s ARG 193 Ca 0.00 0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 55.73 1wb9 s ARG 193 Cb 0.00 -2.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.15 1wb9 s ARG 193 CO 0.00 -0.23 0.73 -0.98 0.02 0.00 0.00 175.30 174.84 1wb9 s ARG 194 N -4.29 3.83 -0.69 3.54 1.70 -1.26 -4.34 118.95 117.44 1wb9 s ARG 194 Ca 0.54 0.48 0.00 0.00 -0.47 0.00 0.00 55.73 56.27 1wb9 s ARG 194 Cb -0.10 -2.44 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 1wb9 s ARG 194 CO 0.37 0.06 0.00 0.41 -1.08 0.00 0.00 175.30 175.06 1wb9 n GLY 195 N -0.94 0.15 3.74 3.88 0.00 -1.26 -4.42 105.19 106.33 1wb9 n GLY 195 Ca 0.02 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1wb9 n GLY 195 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wb9 s LEU 196 N -2.22 4.47 -0.29 0.99 2.96 -1.26 -1.13 118.68 122.21 1wb9 s LEU 196 Ca 0.00 2.09 -0.04 0.00 -0.22 0.00 0.00 54.13 55.96 1wb9 s LEU 196 Cb 0.00 -3.60 0.10 0.00 0.50 0.00 0.00 46.19 43.19 1wb9 s LEU 196 CO 0.00 -0.25 0.13 -0.13 -1.32 0.00 0.00 176.35 174.77 1wb9 s ARG 197 N -0.23 0.24 -0.01 1.98 1.81 -0.46 -4.92 118.95 117.35 1wb9 s ARG 197 Ca 0.50 -0.57 -0.30 0.00 -1.72 0.00 0.00 55.73 53.64 1wb9 s ARG 197 Cb -0.29 -1.25 -0.05 0.00 -0.45 0.00 0.00 34.95 32.90 1wb9 s ARG 197 CO 0.34 -1.01 1.41 0.50 -0.68 0.00 0.00 175.30 175.87 1wb9 s ARG 198 N 2.06 4.27 0.10 3.54 3.52 -1.26 -1.46 118.95 129.72 1wb9 s ARG 198 Ca 0.09 1.97 0.08 0.00 -0.13 0.00 0.00 55.73 57.75 1wb9 s ARG 198 Cb -0.16 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1wb9 s ARG 198 CO -0.35 -0.60 -0.17 1.03 -0.81 0.00 0.00 175.30 174.40 1wb9 s ARG 199 N 2.53 1.87 0.57 5.12 1.81 0.56 -4.92 118.95 126.48 1wb9 s ARG 199 Ca 0.64 -1.13 -0.19 0.00 -1.72 0.00 0.00 55.73 53.34 1wb9 s ARG 199 Cb -0.31 -2.15 -0.05 0.00 -0.45 0.00 0.00 34.95 31.99 1wb9 s ARG 199 CO 0.26 0.49 1.12 -1.25 -0.68 0.00 0.00 175.30 175.25 1wb9 s PRO 200 N -2.03 3.26 0.51 3.54 0.05 -1.26 -1.00 135.00 138.07 1wb9 s PRO 200 Ca 0.18 1.55 0.17 0.00 0.05 0.00 0.00 61.00 62.94 1wb9 s PRO 200 Cb -0.11 -2.00 1.25 0.00 0.05 0.00 0.00 34.50 33.70 1wb9 s PRO 200 CO 0.10 -0.91 2.12 1.25 0.05 0.00 0.00 177.00 179.61 1wb9 h LEU 201 N 0.96 0.04 -1.81 -3.56 5.85 -1.95 -2.26 115.31 112.58 1wb9 h LEU 201 Ca -0.49 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 1wb9 h LEU 201 Cb 1.26 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1wb9 h LEU 201 CO 0.56 0.03 -0.14 4.11 -0.34 0.00 0.00 178.44 182.67 1wb9 h TRP 202 N 0.05 0.00 0.00 1.25 5.08 -2.00 -1.26 115.95 119.07 1wb9 h TRP 202 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.02 1wb9 h TRP 202 Cb 0.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 1wb9 h TRP 202 CO -0.00 0.14 0.00 0.39 -1.28 0.00 0.00 178.44 177.69 1wb9 n GLU 203 N -4.13 0.12 -0.18 0.12 1.02 -0.85 -1.98 120.64 114.76 1wb9 n GLU 203 Ca -0.02 0.50 0.08 0.00 -0.02 0.00 0.00 57.16 57.70 1wb9 n GLU 203 Cb 0.22 -1.81 0.18 0.00 -0.02 0.00 0.00 31.44 30.00 1wb9 n GLU 203 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1wb9 n PHE 204 N -2.06 0.49 -1.80 -0.32 3.72 -0.48 -2.68 117.46 114.33 1wb9 n PHE 204 Ca 0.01 -0.37 -0.42 0.00 -0.05 0.00 0.00 57.45 56.62 1wb9 n PHE 204 Cb 0.11 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1wb9 n PHE 204 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1wb9 s GLU 205 N -1.08 4.15 0.17 -1.08 2.56 -0.84 -4.63 118.70 117.95 1wb9 s GLU 205 Ca 0.29 2.54 -0.12 0.00 0.00 0.00 0.00 54.97 57.68 1wb9 s GLU 205 Cb 0.16 -3.08 0.08 0.00 2.00 0.00 0.00 34.13 33.29 1wb9 s GLU 205 CO 0.22 -0.68 1.73 0.97 -0.56 0.00 0.00 175.26 176.93 1wb9 h ILE 206 N 3.75 1.23 -0.42 -3.70 6.09 -1.93 -2.25 117.51 120.28 1wb9 h ILE 206 Ca -0.44 -0.73 -0.13 0.00 -1.37 0.00 0.00 64.86 62.19 1wb9 h ILE 206 Cb 1.21 0.57 -0.01 0.00 0.47 0.00 0.00 36.82 39.06 1wb9 h ILE 206 CO 0.91 0.29 -0.25 0.44 -3.07 0.00 0.00 178.15 176.46 1wb9 h ASP 207 N 0.85 0.90 -0.58 2.19 3.32 -1.99 -0.40 116.42 120.72 1wb9 h ASP 207 Ca 0.20 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1wb9 h ASP 207 Cb 0.21 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1wb9 h ASP 207 CO -0.02 1.10 0.12 0.74 -1.72 0.00 0.00 179.24 179.47 1wb9 h THR 208 N 0.75 1.25 0.16 0.35 2.02 -1.93 -0.78 112.91 114.73 1wb9 h THR 208 Ca 0.09 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1wb9 h THR 208 Cb 0.80 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1wb9 h THR 208 CO 0.07 0.34 -0.11 0.00 0.37 0.00 0.00 175.52 176.19 1wb9 h ALA 209 N 1.02 -0.25 -0.24 6.16 0.00 -0.94 -0.58 119.26 124.42 1wb9 h ALA 209 Ca 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1wb9 h ALA 209 Cb 0.38 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1wb9 h ALA 209 CO 0.01 -0.65 -0.06 0.00 0.00 0.00 0.00 179.25 178.55 1wb9 h ARG 210 N -0.27 0.00 -0.76 0.00 3.08 -1.03 -0.91 114.38 114.49 1wb9 h ARG 210 Ca -0.01 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1wb9 h ARG 210 Cb 0.23 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1wb9 h ARG 210 CO 0.01 0.00 0.47 0.37 -1.07 0.00 0.00 179.97 179.75 1wb9 h GLN 211 N 0.00 0.88 0.06 0.04 -0.00 -0.88 -1.42 115.11 113.78 1wb9 h GLN 211 Ca 0.12 -0.05 -0.25 0.00 -0.00 0.00 0.00 58.65 58.46 1wb9 h GLN 211 Cb 0.18 -0.20 0.01 0.00 0.00 0.00 0.00 27.48 27.47 1wb9 h GLN 211 CO -0.25 0.58 -1.08 1.96 0.00 0.00 0.00 178.83 180.04 1wb9 h GLN 212 N 0.90 0.41 -0.07 1.69 1.08 -0.80 -2.34 115.11 115.97 1wb9 h GLN 212 Ca 0.31 -0.52 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1wb9 h GLN 212 Cb 0.07 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1wb9 h GLN 212 CO -0.13 1.18 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.82 1wb9 h LEU 213 N 0.20 0.17 -1.22 1.46 3.38 -0.96 -0.68 115.31 117.65 1wb9 h LEU 213 Ca -0.11 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.47 1wb9 h LEU 213 Cb 1.74 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.40 1wb9 h LEU 213 CO 0.19 0.56 0.54 0.78 0.09 0.00 0.00 178.44 180.60 1wb9 h ASN 214 N -0.23 0.85 -0.13 -0.43 2.35 -1.34 0.15 115.58 116.80 1wb9 h ASN 214 Ca 0.02 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1wb9 h ASN 214 Cb 0.50 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1wb9 h ASN 214 CO 0.01 0.57 -0.01 0.25 -1.65 0.00 0.00 177.43 176.60 1wb9 h LEU 215 N 0.98 0.24 -0.88 1.61 5.85 -1.25 0.07 115.31 121.92 1wb9 h LEU 215 Ca 0.34 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1wb9 h LEU 215 Cb 0.12 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1wb9 h LEU 215 CO -0.11 0.51 0.56 -0.61 -0.34 0.00 0.00 178.44 178.45 1wb9 h GLN 216 N -0.03 1.02 -0.00 1.25 5.75 -0.70 -2.96 115.11 119.43 1wb9 h GLN 216 Ca 0.04 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1wb9 h GLN 216 Cb 0.39 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1wb9 h GLN 216 CO 0.01 0.67 -0.37 1.19 -2.65 0.00 0.00 178.83 177.69 1wb9 n PHE 217 N -4.57 0.00 -1.80 3.99 3.72 0.00 -4.91 117.46 113.89 1wb9 n PHE 217 Ca 0.12 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.44 1wb9 n PHE 217 Cb 0.14 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.44 1wb9 n PHE 217 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wb9 n GLY 218 N 1.44 0.41 3.65 1.37 0.00 -0.23 -5.04 105.19 106.79 1wb9 n GLY 218 Ca 0.08 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1wb9 n GLY 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wb9 s THR 219 N -2.37 3.29 -0.02 2.61 -4.23 -0.16 -5.03 115.64 109.73 1wb9 s THR 219 Ca 0.00 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1wb9 s THR 219 Cb 0.00 -2.84 -0.28 0.00 1.34 0.00 0.00 72.50 70.73 1wb9 s THR 219 CO 0.00 -0.34 0.76 0.03 -0.54 0.00 0.00 174.62 174.53 1wb9 h ARG 220 N 1.85 0.25 -4.17 3.99 2.47 -1.97 -3.41 114.38 113.40 1wb9 h ARG 220 Ca -0.44 -0.43 -0.25 0.00 -1.26 0.00 0.00 59.98 57.61 1wb9 h ARG 220 Cb 1.25 0.16 -0.10 0.00 -1.65 0.00 0.00 29.97 29.63 1wb9 h ARG 220 CO 0.61 1.10 -0.27 0.16 0.56 0.00 0.00 179.97 182.14 1wb9 s ASP 221 N -6.96 0.68 -0.18 7.04 1.47 -1.26 -5.01 116.67 112.45 1wb9 s ASP 221 Ca -0.11 -1.39 0.16 0.00 1.18 0.00 0.00 52.55 52.39 1wb9 s ASP 221 Cb 0.07 0.60 0.60 0.00 -0.34 0.00 0.00 42.92 43.84 1wb9 s ASP 221 CO 0.84 -1.18 1.50 0.18 0.68 0.00 0.00 175.17 177.19 1wb9 n LEU 222 N -0.49 4.33 -0.19 2.11 4.77 -1.26 -4.61 117.00 121.66 1wb9 n LEU 222 Ca 0.01 -2.91 -0.04 0.00 -0.03 0.00 0.00 56.01 53.04 1wb9 n LEU 222 Cb 0.62 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1wb9 n LEU 222 CO 0.29 0.67 1.06 0.58 -1.33 0.00 0.00 177.39 178.67 1wb9 h VAL 223 N 2.46 1.02 0.00 4.08 2.07 -1.96 -2.36 116.25 121.56 1wb9 h VAL 223 Ca 0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1wb9 h VAL 223 Cb 1.54 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1wb9 h VAL 223 CO 0.28 0.11 -0.01 1.23 0.02 0.00 0.00 177.57 179.20 1wb9 h GLY 224 N 0.62 0.00 -0.28 2.17 0.00 -2.02 -0.65 103.07 102.91 1wb9 h GLY 224 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1wb9 h GLY 224 CO -0.13 0.00 -0.21 0.69 0.00 0.00 0.00 176.54 176.89 1wb9 n PHE 225 N -3.19 0.00 -2.24 5.60 3.72 -0.90 -4.97 117.46 115.49 1wb9 n PHE 225 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 1wb9 n PHE 225 Cb 0.14 -0.06 -0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1wb9 n PHE 225 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wb9 n GLY 226 N 1.31 -0.11 0.00 1.37 0.00 -0.25 -4.48 105.19 103.03 1wb9 n GLY 226 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1wb9 n GLY 226 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wb9 n VAL 227 N -4.01 0.18 -0.06 1.61 0.24 -1.20 -4.63 118.33 110.45 1wb9 n VAL 227 Ca -0.14 -0.37 0.10 0.00 -2.04 0.00 0.00 64.34 61.89 1wb9 n VAL 227 Cb 0.60 1.21 0.48 0.00 -1.47 0.00 0.00 33.84 34.66 1wb9 n VAL 227 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1wb9 h GLU 228 N 0.00 0.44 0.00 7.34 4.57 -1.86 -1.69 114.58 123.38 1wb9 h GLU 228 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1wb9 h GLU 228 Cb 0.37 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1wb9 h GLU 228 CO 0.00 0.29 0.00 0.09 -1.18 0.00 0.00 179.01 178.21 1wb9 n ASN 229 N -4.47 0.00 -2.87 1.04 4.13 -1.26 -4.54 115.26 107.29 1wb9 n ASN 229 Ca 0.08 0.49 -0.27 0.00 1.68 0.00 0.00 54.58 56.56 1wb9 n ASN 229 Cb 0.28 -0.50 -0.03 0.00 -1.54 0.00 0.00 39.78 37.99 1wb9 n ASN 229 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wb9 n ALA 230 N -1.50 4.67 -0.32 5.41 0.00 -0.63 -4.93 120.51 123.21 1wb9 n ALA 230 Ca 0.04 -4.60 0.05 0.00 0.00 0.00 0.00 53.44 48.92 1wb9 n ALA 230 Cb 0.18 -0.71 0.20 0.00 0.00 0.00 0.00 19.45 19.12 1wb9 n ALA 230 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wb9 h PRO 231 N 2.91 0.83 -0.56 0.00 0.13 -1.80 0.71 132.00 134.21 1wb9 h PRO 231 Ca 0.16 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.30 1wb9 h PRO 231 Cb 0.59 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 31.48 1wb9 h PRO 231 CO 0.81 0.55 0.27 -0.09 -0.23 0.00 0.00 178.00 179.31 1wb9 h ARG 232 N 0.86 0.49 -0.30 0.86 2.43 -1.95 0.11 114.38 116.89 1wb9 h ARG 232 Ca 0.44 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.50 1wb9 h ARG 232 Cb 0.42 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1wb9 h ARG 232 CO -0.26 0.33 -0.12 0.78 -1.51 0.00 0.00 179.97 179.19 1wb9 h GLY 233 N 0.51 0.67 0.89 2.80 0.00 -1.52 -3.15 103.07 103.26 1wb9 h GLY 233 Ca 0.26 -0.59 0.08 0.00 0.00 0.00 0.00 47.33 47.09 1wb9 h GLY 233 CO -0.20 0.53 0.52 1.41 0.00 0.00 0.00 176.54 178.80 1wb9 h LEU 234 N 0.38 0.70 -0.44 3.11 3.38 -0.27 -0.54 115.31 121.62 1wb9 h LEU 234 Ca 0.07 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1wb9 h LEU 234 Cb 0.63 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1wb9 h LEU 234 CO 0.04 0.43 0.25 0.00 0.09 0.00 0.00 178.44 179.25 1wb9 h ALA 236 N 1.10 1.00 -0.14 0.00 0.00 -1.42 -2.36 119.26 117.44 1wb9 h ALA 236 Ca 0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1wb9 h ALA 236 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1wb9 h ALA 236 CO -0.03 0.50 -0.34 0.00 0.00 0.00 0.00 179.25 179.38 1wb9 h ALA 237 N 1.23 1.15 -0.30 0.00 0.00 -0.13 -1.34 119.26 119.87 1wb9 h ALA 237 Ca 0.28 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1wb9 h ALA 237 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wb9 h ALA 237 CO -0.05 0.55 0.05 0.78 0.00 0.00 0.00 179.25 180.59 1wb9 h GLY 238 N 1.11 0.53 0.67 0.00 0.00 -0.28 -1.01 103.07 104.09 1wb9 h GLY 238 Ca 0.03 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1wb9 h GLY 238 CO 0.06 0.33 -0.13 0.00 0.00 0.00 0.00 176.54 176.80 1wb9 h LEU 240 N -0.21 -0.31 -1.17 0.00 6.46 -1.17 -1.72 115.31 117.19 1wb9 h LEU 240 Ca 0.05 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1wb9 h LEU 240 Cb 0.27 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1wb9 h LEU 240 CO -0.13 -0.13 0.16 0.25 -0.62 0.00 0.00 178.44 177.97 1wb9 h LEU 241 N -0.10 0.68 -0.55 2.25 5.85 -1.12 -0.18 115.31 122.13 1wb9 h LEU 241 Ca 0.09 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1wb9 h LEU 241 Cb 0.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1wb9 h LEU 241 CO -0.20 0.65 0.13 1.56 -0.34 0.00 0.00 178.44 180.24 1wb9 h GLN 242 N 0.73 0.89 -0.20 1.25 4.20 -0.95 -1.21 115.11 119.81 1wb9 h GLN 242 Ca 0.17 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1wb9 h GLN 242 Cb 0.22 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1wb9 h GLN 242 CO -0.01 0.83 0.10 -0.92 -0.67 0.00 0.00 178.83 178.17 1wb9 h TYR 243 N 0.79 0.28 -0.73 2.96 3.20 -0.58 -1.16 116.97 121.73 1wb9 h TYR 243 Ca 0.17 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.10 1wb9 h TYR 243 Cb 0.35 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 1wb9 h TYR 243 CO 0.02 0.28 0.41 0.00 -1.64 0.00 0.00 178.16 177.24 1wb9 h ALA 244 N 0.98 0.99 -0.46 1.82 0.00 -0.90 -0.13 119.26 121.55 1wb9 h ALA 244 Ca 0.07 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1wb9 h ALA 244 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wb9 h ALA 244 CO -0.01 0.10 -0.16 0.87 0.00 0.00 0.00 179.25 180.04 1wb9 h LYS 245 N 0.75 0.93 -0.24 0.00 1.57 -1.04 -2.30 116.57 116.24 1wb9 h LYS 245 Ca 0.33 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1wb9 h LYS 245 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1wb9 h LYS 245 CO -0.19 1.04 -0.28 0.22 -0.57 0.00 0.00 179.45 179.67 1wb9 h ASP 246 N 0.77 0.48 0.36 0.86 3.58 -0.71 0.07 116.42 121.84 1wb9 h ASP 246 Ca 0.11 -0.17 -0.21 0.00 0.42 0.00 0.00 57.03 57.18 1wb9 h ASP 246 Cb 0.73 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 1wb9 h ASP 246 CO 0.06 0.75 -0.90 0.71 -2.88 0.00 0.00 179.24 176.97 1wb9 h THR 247 N 0.41 1.41 0.10 2.25 1.35 -0.91 -3.37 112.91 114.15 1wb9 h THR 247 Ca 0.06 -2.43 -0.37 0.00 -0.55 0.00 0.00 66.41 63.12 1wb9 h THR 247 Cb 0.71 2.38 -0.03 0.00 -1.73 0.00 0.00 68.15 69.48 1wb9 h THR 247 CO 0.05 0.72 -2.07 0.00 -0.25 0.00 0.00 175.52 173.97 1wb9 n GLN 248 N -3.74 0.73 -3.14 4.72 1.13 -0.88 -0.72 117.38 115.48 1wb9 n GLN 248 Ca -0.06 0.24 -0.22 0.00 -1.94 0.00 0.00 57.00 55.02 1wb9 n GLN 248 Cb 0.81 -1.68 0.02 0.00 0.11 0.00 0.00 30.24 29.50 1wb9 n GLN 248 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1wb9 n ARG 249 N -3.41 -4.13 -4.23 -1.09 1.74 0.01 -4.67 116.66 100.88 1wb9 n ARG 249 Ca -0.34 0.71 -0.14 0.00 -0.77 0.00 0.00 57.85 57.31 1wb9 n ARG 249 Cb 1.04 -5.50 -0.09 0.00 -1.02 0.00 0.00 32.46 26.89 1wb9 n ARG 249 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wb9 s THR 250 N -3.05 0.00 0.85 0.55 -4.23 -1.26 -5.01 115.64 103.49 1wb9 s THR 250 Ca 0.33 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.74 1wb9 s THR 250 Cb -0.16 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.28 1wb9 s THR 250 CO 0.41 0.00 1.13 0.42 -0.54 0.00 0.00 174.62 176.03 1wb9 s THR 251 N -3.93 2.59 -0.49 3.99 -4.23 -1.26 -4.97 115.64 107.34 1wb9 s THR 251 Ca 0.40 0.20 0.07 0.00 -1.18 0.00 0.00 61.69 61.17 1wb9 s THR 251 Cb 0.06 -2.43 0.24 0.00 1.34 0.00 0.00 72.50 71.71 1wb9 s THR 251 CO 0.17 -0.25 0.57 0.18 -0.54 0.00 0.00 174.62 174.76 1wb9 n LEU 252 N -3.88 1.41 0.04 4.79 4.77 -1.26 -4.81 117.00 118.05 1wb9 n LEU 252 Ca 0.11 -4.93 0.11 0.00 -0.03 0.00 0.00 56.01 51.26 1wb9 n LEU 252 Cb 0.52 0.14 0.44 0.00 -2.33 0.00 0.00 43.42 42.19 1wb9 n LEU 252 CO 0.51 2.03 0.84 -0.81 -1.33 0.00 0.00 177.39 178.62 1wb9 n PRO 253 N 1.40 0.07 0.00 3.23 -0.04 -1.26 -2.39 135.00 136.00 1wb9 n PRO 253 Ca 0.25 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 64.05 1wb9 n PRO 253 Cb 0.48 -1.60 0.63 0.00 -0.04 0.00 0.00 33.50 32.96 1wb9 n PRO 253 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1wb9 n HIS 254 N -1.72 0.00 -3.28 0.54 1.44 -1.26 -4.43 115.22 106.51 1wb9 n HIS 254 Ca 0.04 0.00 -0.47 0.00 -2.01 0.00 0.00 57.72 55.29 1wb9 n HIS 254 Cb 0.26 -0.47 -0.02 0.00 0.12 0.00 0.00 29.99 29.88 1wb9 n HIS 254 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1wb9 s ILE 255 N -2.94 5.49 -0.47 0.61 1.01 -1.01 -4.42 121.20 119.48 1wb9 s ILE 255 Ca 0.16 -2.33 0.04 0.00 0.00 0.00 0.00 60.65 58.51 1wb9 s ILE 255 Cb 0.19 -4.50 0.02 0.00 0.01 0.00 0.00 42.46 38.18 1wb9 s ILE 255 CO 0.51 -1.08 0.57 -2.11 0.00 0.00 0.00 174.94 172.83 1wb9 n ARG 256 N 4.33 0.35 -3.44 2.79 1.85 -1.26 -4.78 116.66 116.49 1wb9 n ARG 256 Ca 0.14 -0.65 -0.13 0.00 -1.00 0.00 0.00 57.85 56.21 1wb9 n ARG 256 Cb 0.47 -1.03 -0.03 0.00 -1.05 0.00 0.00 32.46 30.83 1wb9 n ARG 256 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wb9 s SER 257 N -0.47 -0.58 0.07 2.89 0.15 -1.26 -4.89 113.70 109.61 1wb9 s SER 257 Ca 0.04 0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.86 1wb9 s SER 257 Cb 0.03 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1wb9 s SER 257 CO 0.06 -0.90 -0.12 -0.51 1.20 0.00 0.00 173.24 172.97 1wb9 s ILE 258 N -3.30 0.96 -0.02 6.45 2.07 -1.26 -4.41 121.20 121.69 1wb9 s ILE 258 Ca -0.01 -1.30 0.03 0.00 -1.41 0.00 0.00 60.65 57.96 1wb9 s ILE 258 Cb -0.01 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.58 1wb9 s ILE 258 CO -0.09 -0.31 -0.10 -0.89 -1.91 0.00 0.00 174.94 171.65 1wb9 s THR 259 N -1.45 0.79 0.08 4.00 2.01 -0.93 -4.81 115.64 115.35 1wb9 s THR 259 Ca -0.03 -0.40 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 1wb9 s THR 259 Cb -0.09 -0.68 -0.06 0.00 0.01 0.00 0.00 72.50 71.67 1wb9 s THR 259 CO 0.02 0.24 0.80 -0.32 -0.69 0.00 0.00 174.62 174.66 1wb9 s MET 260 N -0.02 4.55 -0.49 4.92 1.75 -1.26 -1.37 119.30 127.38 1wb9 s MET 260 Ca 0.00 1.15 -0.17 0.00 -1.25 0.00 0.00 55.69 55.42 1wb9 s MET 260 Cb -0.06 -3.34 0.07 0.00 2.84 0.00 0.00 34.83 34.34 1wb9 s MET 260 CO 0.00 0.34 0.49 -1.21 -0.65 0.00 0.00 175.02 174.00 1wb9 s GLU 261 N -0.32 3.04 0.25 4.11 2.02 0.75 -4.92 118.70 123.62 1wb9 s GLU 261 Ca 0.39 -1.18 -0.17 0.00 0.02 0.00 0.00 54.97 54.04 1wb9 s GLU 261 Cb -0.22 -4.12 -0.08 0.00 0.10 0.00 0.00 34.13 29.81 1wb9 s GLU 261 CO 0.25 -1.12 0.70 1.03 0.02 0.00 0.00 175.26 176.14 1wb9 s ARG 262 N 2.05 4.10 0.26 1.61 0.52 -1.26 -4.52 118.95 121.70 1wb9 s ARG 262 Ca 0.08 0.71 -0.02 0.00 -0.52 0.00 0.00 55.73 55.99 1wb9 s ARG 262 Cb -0.22 -2.70 0.52 0.00 0.52 0.00 0.00 34.95 33.07 1wb9 s ARG 262 CO 0.09 0.31 1.75 0.93 0.02 0.00 0.00 175.30 178.39 1wb9 h GLU 263 N 2.92 0.53 0.00 3.54 5.08 -1.97 -2.24 114.58 122.45 1wb9 h GLU 263 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1wb9 h GLU 263 Cb 1.18 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1wb9 h GLU 263 CO 0.66 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 179.02 1wb9 n GLN 264 N -4.93 0.09 0.10 2.33 10.64 -1.26 -3.23 117.38 121.14 1wb9 n GLN 264 Ca 0.16 0.26 0.09 0.00 -1.83 0.00 0.00 57.00 55.68 1wb9 n GLN 264 Cb 0.44 -1.65 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 1wb9 n GLN 264 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1wb9 h ASP 265 N 0.00 0.00 -4.20 2.61 3.32 -1.80 -3.44 116.42 112.91 1wb9 h ASP 265 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1wb9 h ASP 265 Cb 0.39 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.79 1wb9 h ASP 265 CO 0.00 0.14 -0.70 -0.94 -1.72 0.00 0.00 179.24 176.03 1wb9 s SER 266 N -5.60 1.54 -0.29 6.45 1.04 -1.20 -1.13 113.70 114.52 1wb9 s SER 266 Ca 0.00 -1.06 -0.29 0.00 0.48 0.00 0.00 55.95 55.08 1wb9 s SER 266 Cb 0.09 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1wb9 s SER 266 CO 0.78 -0.42 1.21 -0.63 0.98 0.00 0.00 173.24 175.16 1wb9 s ILE 267 N -3.46 4.30 -0.35 -1.02 1.01 -0.71 -4.86 121.20 116.10 1wb9 s ILE 267 Ca 0.18 1.50 -0.26 0.00 0.00 0.00 0.00 60.65 62.07 1wb9 s ILE 267 Cb 0.04 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.29 1wb9 s ILE 267 CO 0.01 -0.43 0.94 -0.63 0.00 0.00 0.00 174.94 174.83 1wb9 s ILE 268 N 3.97 4.59 -0.18 2.92 1.01 -0.83 -4.54 121.20 128.14 1wb9 s ILE 268 Ca 0.52 1.28 -0.09 0.00 0.00 0.00 0.00 60.65 62.36 1wb9 s ILE 268 Cb -0.16 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1wb9 s ILE 268 CO 0.19 -0.50 0.13 -0.04 0.00 0.00 0.00 174.94 174.72 1wb9 s MET 269 N 3.46 3.97 1.10 2.79 -1.94 -1.26 -1.53 119.30 125.89 1wb9 s MET 269 Ca 0.39 -0.19 -0.17 0.00 -1.71 0.00 0.00 55.69 54.00 1wb9 s MET 269 Cb -0.12 -3.35 0.24 0.00 2.01 0.00 0.00 34.83 33.61 1wb9 s MET 269 CO 0.18 0.44 1.17 0.16 -0.01 0.00 0.00 175.02 176.95 1wb9 s ASP 270 N -0.04 1.84 0.14 3.03 1.47 -0.91 -4.80 116.67 117.40 1wb9 s ASP 270 Ca 0.10 0.59 -0.13 0.00 1.18 0.00 0.00 52.55 54.29 1wb9 s ASP 270 Cb -0.11 -0.84 0.01 0.00 -0.34 0.00 0.00 42.92 41.64 1wb9 s ASP 270 CO -0.00 -3.55 1.62 0.00 0.68 0.00 0.00 175.17 173.92 1wb9 h ALA 271 N -2.19 0.62 -0.81 2.11 0.00 -1.90 -2.42 119.26 114.67 1wb9 h ALA 271 Ca -0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1wb9 h ALA 271 Cb 1.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1wb9 h ALA 271 CO 0.39 0.36 0.41 0.00 0.00 0.00 0.00 179.25 180.41 1wb9 h ALA 272 N 0.95 1.19 0.21 0.00 0.00 -1.93 -2.15 119.26 117.53 1wb9 h ALA 272 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wb9 h ALA 272 Cb 0.40 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wb9 h ALA 272 CO 0.01 0.63 -0.10 1.15 0.00 0.00 0.00 179.25 180.94 1wb9 h THR 273 N 1.14 0.85 -0.79 0.00 2.02 -1.75 0.88 112.91 115.26 1wb9 h THR 273 Ca 0.28 -0.25 0.15 0.00 0.77 0.00 0.00 66.41 67.36 1wb9 h THR 273 Cb 0.08 1.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.40 1wb9 h THR 273 CO -0.04 0.06 0.33 0.03 0.37 0.00 0.00 175.52 176.27 1wb9 h ARG 274 N -0.40 0.46 0.08 6.66 3.08 -1.26 -0.98 114.38 122.01 1wb9 h ARG 274 Ca -0.03 -0.03 -0.29 0.00 0.07 0.00 0.00 59.98 59.70 1wb9 h ARG 274 Cb 0.31 -0.10 0.03 0.00 0.08 0.00 0.00 29.97 30.28 1wb9 h ARG 274 CO 0.05 0.30 -1.18 -0.09 -1.07 0.00 0.00 179.97 177.98 1wb9 h ARG 275 N 0.47 0.65 0.00 0.04 2.43 -1.27 -3.00 114.38 113.71 1wb9 h ARG 275 Ca 0.44 -0.81 -0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1wb9 h ARG 275 Cb 0.67 0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1wb9 h ARG 275 CO -0.41 1.36 -0.13 -0.97 -1.51 0.00 0.00 179.97 178.31 1wb9 h ASN 276 N 0.32 0.00 0.21 -3.80 -1.24 -0.51 -2.61 115.58 107.94 1wb9 h ASN 276 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.84 1wb9 h ASN 276 Cb 1.85 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.90 1wb9 h ASN 276 CO 0.23 0.13 -0.46 0.18 -1.29 0.00 0.00 177.43 176.22 1wb9 n LEU 277 N -3.28 1.12 -3.76 0.34 4.77 -0.40 -4.96 117.00 110.83 1wb9 n LEU 277 Ca 0.00 -0.34 -0.24 0.00 -0.03 0.00 0.00 56.01 55.40 1wb9 n LEU 277 Cb 0.39 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1wb9 n LEU 277 CO 0.31 0.22 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.86 1wb9 n GLU 278 N -0.83 -3.57 0.13 3.23 1.02 -0.99 -4.59 120.64 115.05 1wb9 n GLU 278 Ca 0.09 0.53 -0.05 0.00 -0.02 0.00 0.00 57.16 57.71 1wb9 n GLU 278 Cb 0.37 -4.79 -0.03 0.00 -0.02 0.00 0.00 31.44 26.97 1wb9 n GLU 278 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1wb9 h ILE 279 N -1.83 0.00 0.00 -3.67 2.04 -1.85 -2.12 117.51 110.07 1wb9 h ILE 279 Ca -0.63 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1wb9 h ILE 279 Cb 1.36 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1wb9 h ILE 279 CO 0.56 0.00 -0.44 0.35 0.00 0.00 0.00 178.15 178.62 1wb9 n THR 280 N -2.96 0.00 -4.18 -0.27 -2.24 -1.26 -1.88 114.28 101.48 1wb9 n THR 280 Ca -0.04 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 1wb9 n THR 280 Cb 0.14 0.98 -0.16 0.00 -2.10 0.00 0.00 70.33 69.19 1wb9 n THR 280 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1wb9 s GLN 281 N -1.85 0.83 0.91 -0.78 0.74 -1.26 -4.64 119.66 113.61 1wb9 s GLN 281 Ca 0.03 -0.12 -0.14 0.00 0.05 0.00 0.00 55.36 55.18 1wb9 s GLN 281 Cb 0.07 -0.82 0.15 0.00 1.10 0.00 0.00 33.01 33.51 1wb9 s GLN 281 CO 0.36 -0.06 1.27 0.54 -0.55 0.00 0.00 175.29 176.84 1wb9 s ASN 282 N 0.84 3.62 0.43 6.67 2.20 -0.25 -4.35 114.94 124.10 1wb9 s ASN 282 Ca -0.11 0.47 0.21 0.00 -0.94 0.00 0.00 52.86 52.49 1wb9 s ASN 282 Cb -0.14 -0.69 0.99 0.00 -2.00 0.00 0.00 41.25 39.40 1wb9 s ASN 282 CO 0.00 -2.44 1.88 -0.07 -2.94 0.00 0.00 177.10 173.54 1wb9 h LEU 283 N -1.43 0.00 -2.23 3.54 3.38 -1.89 -1.69 115.31 114.99 1wb9 h LEU 283 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1wb9 h LEU 283 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1wb9 h LEU 283 CO 0.49 0.26 0.00 0.00 0.09 0.00 0.00 178.44 179.28 1wb9 n ALA 284 N -2.32 2.41 0.00 1.53 0.00 -1.26 -4.96 120.51 115.91 1wb9 n ALA 284 Ca -0.01 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1wb9 n ALA 284 Cb 0.38 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1wb9 n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wb9 n GLY 285 N 1.47 0.79 3.96 0.00 0.00 -0.63 -5.08 105.19 105.70 1wb9 n GLY 285 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1wb9 n GLY 285 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wb9 s GLY 286 N -2.18 1.75 0.00 -0.02 0.00 -1.26 -4.74 107.32 100.87 1wb9 s GLY 286 Ca 0.00 -1.35 0.25 0.00 0.00 0.00 0.00 44.72 43.62 1wb9 s GLY 286 CO 0.00 -0.79 1.37 0.00 0.00 0.00 0.00 173.10 173.68 1wb9 n ALA 287 N -3.08 3.66 -1.82 3.20 0.00 -1.26 -1.09 120.51 120.11 1wb9 n ALA 287 Ca 0.13 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.86 1wb9 n ALA 287 Cb 0.60 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 1wb9 n ALA 287 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wb9 s GLU 288 N -2.97 4.13 -1.48 0.00 8.01 -1.26 -4.08 118.70 121.06 1wb9 s GLU 288 Ca 0.11 1.12 -0.12 0.00 0.01 0.00 0.00 54.97 56.09 1wb9 s GLU 288 Cb 0.17 -2.16 0.06 0.00 -4.31 0.00 0.00 34.13 27.89 1wb9 s GLU 288 CO 0.71 -0.12 1.05 0.09 0.01 0.00 0.00 175.26 177.00 1wb9 n ASN 289 N -0.84 -5.33 -4.92 -0.19 3.02 -1.26 -4.50 115.26 101.23 1wb9 n ASN 289 Ca 0.07 -0.70 -0.20 0.00 -0.03 0.00 0.00 54.58 53.72 1wb9 n ASN 289 Cb 0.54 -4.27 -0.01 0.00 -0.61 0.00 0.00 39.78 35.42 1wb9 n ASN 289 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wb9 s THR 290 N -3.31 2.64 0.25 3.41 -4.23 -1.26 -4.86 115.64 108.28 1wb9 s THR 290 Ca 0.64 -1.24 -0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1wb9 s THR 290 Cb -0.31 -2.88 0.20 0.00 1.34 0.00 0.00 72.50 70.85 1wb9 s THR 290 CO 0.80 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.98 1wb9 h LEU 291 N 0.85 1.03 -0.50 4.79 5.85 -1.06 -2.84 115.31 123.44 1wb9 h LEU 291 Ca -0.40 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1wb9 h LEU 291 Cb 1.27 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1wb9 h LEU 291 CO 0.53 0.86 0.18 0.00 -0.34 0.00 0.00 178.44 179.67 1wb9 h ALA 292 N 1.30 0.65 -0.71 1.25 0.00 -1.64 -1.11 119.26 118.99 1wb9 h ALA 292 Ca 0.28 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.21 1wb9 h ALA 292 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1wb9 h ALA 292 CO -0.04 0.28 0.50 0.66 0.00 0.00 0.00 179.25 180.66 1wb9 h SER 293 N 0.67 0.09 0.10 0.00 4.64 -1.74 0.14 113.55 117.44 1wb9 h SER 293 Ca 0.16 0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.22 1wb9 h SER 293 Cb 0.24 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1wb9 h SER 293 CO -0.01 0.04 -1.40 0.58 -0.87 0.00 0.00 176.83 175.17 1wb9 h VAL 294 N 0.09 1.00 0.00 0.95 2.07 -1.40 -3.40 116.25 115.56 1wb9 h VAL 294 Ca 0.34 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 65.48 1wb9 h VAL 294 Cb 1.24 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1wb9 h VAL 294 CO -0.03 0.67 -0.98 -0.07 0.02 0.00 0.00 177.57 177.17 1wb9 h LEU 295 N -0.38 0.00 -8.14 2.57 3.38 -0.75 -3.44 115.31 108.56 1wb9 h LEU 295 Ca -0.31 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.98 1wb9 h LEU 295 Cb 1.70 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.28 1wb9 h LEU 295 CO 0.03 0.07 0.41 -0.62 0.09 0.00 0.00 178.44 178.42 1wb9 s ASP 296 N -5.47 6.30 -0.14 -0.43 2.15 0.43 -4.71 116.67 114.80 1wb9 s ASP 296 Ca -0.00 -1.47 0.18 0.00 0.43 0.00 0.00 52.55 51.69 1wb9 s ASP 296 Cb 0.09 -2.36 0.44 0.00 -0.30 0.00 0.00 42.92 40.79 1wb9 s ASP 296 CO 0.78 -1.20 1.19 0.00 -0.17 0.00 0.00 175.17 175.78 1wb9 n THR 298 N -0.39 0.00 0.04 0.00 -2.24 -1.26 -4.88 114.28 105.54 1wb9 n THR 298 Ca 0.15 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1wb9 n THR 298 Cb 0.91 -0.92 -0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1wb9 n THR 298 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1wb9 n VAL 299 N -4.42 0.00 -4.29 2.28 0.24 -1.26 -4.94 118.33 105.94 1wb9 n VAL 299 Ca 0.08 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.60 1wb9 n VAL 299 Cb 0.54 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.80 1wb9 n VAL 299 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1wb9 s THR 300 N -0.96 2.93 0.25 3.34 -4.23 -1.26 -4.60 115.64 111.11 1wb9 s THR 300 Ca 0.00 -1.50 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1wb9 s THR 300 Cb 0.01 -2.36 0.25 0.00 1.34 0.00 0.00 72.50 71.74 1wb9 s THR 300 CO 0.03 0.08 1.92 -0.65 -0.54 0.00 0.00 174.62 175.45 1wb9 h PRO 301 N 3.63 1.25 -0.17 3.99 0.11 -1.86 -2.24 132.00 136.71 1wb9 h PRO 301 Ca -0.49 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.47 1wb9 h PRO 301 Cb 1.17 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1wb9 h PRO 301 CO 0.47 0.83 -0.20 0.00 -0.21 0.00 0.00 178.00 178.90 1wb9 h MET 302 N 1.29 0.29 -0.40 1.05 -0.00 -1.83 -1.85 114.93 113.48 1wb9 h MET 302 Ca 0.37 -0.09 -0.16 0.00 -0.00 0.00 0.00 59.70 59.82 1wb9 h MET 302 Cb -0.10 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.46 1wb9 h MET 302 CO -0.09 0.49 -0.37 0.78 -0.00 0.00 0.00 176.91 177.72 1wb9 h GLY 303 N 0.90 1.04 1.00 -3.00 0.00 -1.72 -2.14 103.07 99.16 1wb9 h GLY 303 Ca 0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 47.33 46.31 1wb9 h GLY 303 CO 0.03 0.95 0.31 0.23 0.00 0.00 0.00 176.54 178.06 1wb9 h SER 304 N 0.78 0.84 -0.43 0.19 0.87 -0.98 -1.35 113.55 113.48 1wb9 h SER 304 Ca 0.07 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.39 1wb9 h SER 304 Cb 0.96 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1wb9 h SER 304 CO 0.09 0.74 -0.13 0.03 -0.53 0.00 0.00 176.83 177.03 1wb9 h ARG 305 N 0.89 0.85 -0.56 2.24 3.08 -1.34 -2.68 114.38 116.85 1wb9 h ARG 305 Ca 0.22 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1wb9 h ARG 305 Cb 0.12 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1wb9 h ARG 305 CO -0.03 0.98 0.33 1.98 -1.07 0.00 0.00 179.97 182.16 1wb9 h MET 306 N 0.68 0.77 -0.43 0.04 4.05 -1.07 -1.72 114.93 117.25 1wb9 h MET 306 Ca 0.11 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1wb9 h MET 306 Cb 0.68 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 1wb9 h MET 306 CO 0.05 0.57 0.18 1.25 0.23 0.00 0.00 176.91 179.19 1wb9 h LEU 307 N 0.76 0.58 -1.06 3.39 5.85 -1.20 -1.47 115.31 122.17 1wb9 h LEU 307 Ca 0.20 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1wb9 h LEU 307 Cb 0.00 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1wb9 h LEU 307 CO -0.04 0.58 0.34 0.11 -0.34 0.00 0.00 178.44 179.09 1wb9 h LYS 308 N 0.55 1.01 -0.57 1.25 1.57 -1.19 -0.69 116.57 118.49 1wb9 h LYS 308 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1wb9 h LYS 308 Cb 0.17 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1wb9 h LYS 308 CO -0.01 0.78 0.32 0.00 -0.57 0.00 0.00 179.45 179.97 1wb9 h ARG 309 N 1.00 0.78 -0.11 3.15 3.08 -0.93 -2.41 114.38 118.94 1wb9 h ARG 309 Ca 0.25 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1wb9 h ARG 309 Cb 0.10 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1wb9 h ARG 309 CO -0.03 0.56 -0.32 -1.49 -1.07 0.00 0.00 179.97 177.62 1wb9 h TRP 310 N 0.79 0.54 -0.76 3.04 4.06 -0.18 -1.79 115.95 121.66 1wb9 h TRP 310 Ca 0.20 -0.21 0.05 0.00 2.06 0.00 0.00 58.89 60.99 1wb9 h TRP 310 Cb 0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.03 1wb9 h TRP 310 CO 0.00 0.94 0.50 -0.07 -3.56 0.00 0.00 178.44 176.25 1wb9 h LEU 311 N -0.01 0.76 -0.09 -4.49 3.38 -1.09 -0.38 115.31 113.39 1wb9 h LEU 311 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wb9 h LEU 311 Cb 0.94 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1wb9 h LEU 311 CO 0.07 0.51 0.00 0.45 0.09 0.00 0.00 178.44 179.56 1wb9 h HIS 312 N 0.88 0.00 -2.43 1.13 3.86 -1.37 -3.39 115.15 113.83 1wb9 h HIS 312 Ca 0.31 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.93 1wb9 h HIS 312 Cb 0.13 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.21 1wb9 h HIS 312 CO -0.00 0.00 -0.91 -0.12 0.86 0.00 0.00 177.93 177.76 1wb9 n MET 313 N -2.82 0.67 -1.82 2.45 0.00 -0.16 -4.93 117.12 110.50 1wb9 n MET 313 Ca 0.04 -3.49 -0.39 0.00 -0.00 0.00 0.00 57.70 53.86 1wb9 n MET 313 Cb 0.48 -1.74 0.02 0.00 0.00 0.00 0.00 33.22 31.99 1wb9 n MET 313 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1wb9 s PRO 314 N -0.53 3.55 -0.06 2.12 0.02 -1.18 -4.74 135.00 134.20 1wb9 s PRO 314 Ca 0.32 2.34 -0.03 0.00 0.02 0.00 0.00 61.00 63.65 1wb9 s PRO 314 Cb 0.05 -2.55 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 1wb9 s PRO 314 CO -0.17 -0.89 0.10 0.08 -0.33 0.00 0.00 177.00 175.78 1wb9 s VAL 315 N -1.24 4.97 -0.74 3.83 1.01 0.12 -1.74 120.40 126.61 1wb9 s VAL 315 Ca 0.64 -0.16 0.22 0.00 0.00 0.00 0.00 61.98 62.68 1wb9 s VAL 315 Cb -0.42 -3.21 -0.16 0.00 0.00 0.00 0.00 36.38 32.59 1wb9 s VAL 315 CO 0.53 0.48 0.98 0.54 0.00 0.00 0.00 175.10 177.63 1wb9 n ARG 316 N 1.59 0.19 -1.78 2.72 1.74 -0.28 -4.76 116.66 116.08 1wb9 n ARG 316 Ca -0.16 -0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 1wb9 n ARG 316 Cb 0.54 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 1wb9 n ARG 316 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wb9 s ASP 317 N -3.54 5.31 0.26 0.55 -1.08 -1.26 -4.89 116.67 112.02 1wb9 s ASP 317 Ca 0.05 1.29 -0.02 0.00 -0.52 0.00 0.00 52.55 53.35 1wb9 s ASP 317 Cb 0.15 -2.52 0.48 0.00 -1.46 0.00 0.00 42.92 39.58 1wb9 s ASP 317 CO 0.82 -2.17 1.79 0.74 0.52 0.00 0.00 175.17 176.87 1wb9 h THR 318 N 7.14 0.82 -0.18 1.71 2.02 -2.00 -2.48 112.91 119.93 1wb9 h THR 318 Ca -0.33 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1wb9 h THR 318 Cb 1.21 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1wb9 h THR 318 CO 1.07 0.13 0.08 -0.09 0.37 0.00 0.00 175.52 177.08 1wb9 h ARG 319 N 0.72 0.27 -0.72 6.66 2.43 -1.99 -1.33 114.38 120.42 1wb9 h ARG 319 Ca 0.44 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.61 1wb9 h ARG 319 Cb 0.53 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1wb9 h ARG 319 CO -0.31 0.33 0.43 0.28 -1.51 0.00 0.00 179.97 179.20 1wb9 h VAL 320 N 0.15 1.03 -0.22 0.20 2.07 -1.89 -0.27 116.25 117.32 1wb9 h VAL 320 Ca 0.06 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1wb9 h VAL 320 Cb 0.16 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1wb9 h VAL 320 CO -0.01 0.15 0.08 -0.07 0.02 0.00 0.00 177.57 177.74 1wb9 h LEU 321 N 0.82 0.32 -0.78 2.57 3.38 -1.21 -1.30 115.31 119.10 1wb9 h LEU 321 Ca 0.31 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1wb9 h LEU 321 Cb 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1wb9 h LEU 321 CO -0.15 0.41 0.51 -0.07 0.09 0.00 0.00 178.44 179.24 1wb9 h LEU 322 N 0.20 0.88 -0.98 1.67 3.38 -0.99 0.22 115.31 119.70 1wb9 h LEU 322 Ca 0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1wb9 h LEU 322 Cb 0.20 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1wb9 h LEU 322 CO -0.00 0.63 0.38 -0.33 0.09 0.00 0.00 178.44 179.20 1wb9 h GLU 323 N 1.04 1.10 -0.32 1.13 5.08 -0.80 -1.21 114.58 120.60 1wb9 h GLU 323 Ca 0.29 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1wb9 h GLU 323 Cb -0.09 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1wb9 h GLU 323 CO -0.08 0.85 -0.30 0.00 -1.00 0.00 0.00 179.01 178.48 1wb9 h ARG 324 N 1.10 0.76 0.11 2.33 3.08 -0.81 -2.10 114.38 118.85 1wb9 h ARG 324 Ca 0.27 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1wb9 h ARG 324 Cb 0.10 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1wb9 h ARG 324 CO -0.04 1.02 -0.14 1.96 -1.07 0.00 0.00 179.97 181.71 1wb9 h GLN 325 N 0.53 -0.28 -0.76 0.04 4.20 -0.71 -1.92 115.11 116.21 1wb9 h GLN 325 Ca 0.05 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.90 1wb9 h GLN 325 Cb 0.88 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.64 1wb9 h GLN 325 CO 0.08 -0.19 0.36 1.96 -0.67 0.00 0.00 178.83 180.37 1wb9 h GLN 326 N -0.29 0.54 -0.41 1.46 4.20 -1.19 -1.87 115.11 117.55 1wb9 h GLN 326 Ca 0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1wb9 h GLN 326 Cb 0.29 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1wb9 h GLN 326 CO -0.06 0.36 0.16 1.15 -0.67 0.00 0.00 178.83 179.77 1wb9 h THR 327 N 0.56 1.20 -0.70 -0.54 2.02 -1.06 -1.54 112.91 112.84 1wb9 h THR 327 Ca 0.40 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1wb9 h THR 327 Cb 0.51 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1wb9 h THR 327 CO -0.33 0.22 0.38 0.40 0.37 0.00 0.00 175.52 176.56 1wb9 h ILE 328 N 0.52 1.21 -0.19 3.11 2.04 -0.58 -1.24 117.51 122.38 1wb9 h ILE 328 Ca 0.14 -0.53 -0.14 0.00 1.00 0.00 0.00 64.86 65.32 1wb9 h ILE 328 Cb 0.20 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1wb9 h ILE 328 CO -0.01 0.24 -0.43 1.23 0.00 0.00 0.00 178.15 179.17 1wb9 h GLY 329 N 1.03 0.68 2.00 5.37 0.00 -1.12 -3.20 103.07 107.83 1wb9 h GLY 329 Ca 0.25 -0.84 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1wb9 h GLY 329 CO -0.04 0.75 -0.35 0.00 0.00 0.00 0.00 176.54 176.90 1wb9 h ALA 330 N 0.58 1.10 -0.05 3.60 0.00 -1.06 -3.19 119.26 120.24 1wb9 h ALA 330 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wb9 h ALA 330 Cb 1.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wb9 h ALA 330 CO 0.09 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1wb9 n LEU 331 N -3.66 1.93 -0.22 0.00 4.77 -0.49 -4.53 117.00 114.80 1wb9 n LEU 331 Ca -0.01 -0.67 -0.08 0.00 -0.03 0.00 0.00 56.01 55.22 1wb9 n LEU 331 Cb 0.46 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1wb9 n LEU 331 CO 0.36 0.34 0.91 -0.61 -1.33 0.00 0.00 177.39 177.06 1wb9 h GLN 332 N 2.96 1.01 -0.00 3.23 4.15 -1.56 -1.75 115.11 123.15 1wb9 h GLN 332 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1wb9 h GLN 332 Cb 0.63 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1wb9 h GLN 332 CO 0.00 0.93 -0.04 -0.25 -1.93 0.00 0.00 178.83 177.54 1wb9 n ASP 333 N -4.31 0.13 -0.44 -0.69 8.00 -1.26 -3.63 116.55 114.35 1wb9 n ASP 333 Ca 0.04 -0.29 0.10 0.00 0.71 0.00 0.00 54.79 55.34 1wb9 n ASP 333 Cb 0.26 -0.21 -0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1wb9 n ASP 333 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wb9 n PHE 334 N -1.19 0.00 -0.33 1.24 3.72 -0.68 -4.67 117.46 115.56 1wb9 n PHE 334 Ca 0.15 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.51 1wb9 n PHE 334 Cb 0.25 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.88 1wb9 n PHE 334 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1wb9 h THR 335 N 2.17 1.26 -0.10 4.37 1.35 -1.57 -2.03 112.91 118.35 1wb9 h THR 335 Ca 0.00 -0.65 -0.07 0.00 -0.55 0.00 0.00 66.41 65.14 1wb9 h THR 335 Cb 0.67 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 1wb9 h THR 335 CO 0.00 0.29 -0.25 0.00 -0.25 0.00 0.00 175.52 175.31 1wb9 h ALA 336 N 1.28 1.39 0.04 6.62 0.00 -1.87 -2.08 119.26 124.63 1wb9 h ALA 336 Ca 0.31 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1wb9 h ALA 336 Cb 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wb9 h ALA 336 CO -0.05 0.43 -0.60 0.78 0.00 0.00 0.00 179.25 179.81 1wb9 h GLY 337 N 0.93 0.38 1.39 0.00 0.00 -1.81 -3.38 103.07 100.59 1wb9 h GLY 337 Ca 0.03 -0.75 -0.15 0.00 0.00 0.00 0.00 47.33 46.46 1wb9 h GLY 337 CO 0.04 0.66 -0.47 1.41 0.00 0.00 0.00 176.54 178.18 1wb9 h LEU 338 N -0.24 0.72 -0.20 3.11 3.38 -1.28 -3.38 115.31 117.41 1wb9 h LEU 338 Ca -0.09 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1wb9 h LEU 338 Cb 1.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1wb9 h LEU 338 CO 0.12 1.07 0.05 1.56 0.09 0.00 0.00 178.44 181.33 1wb9 h GLN 339 N 0.53 0.32 -0.67 1.13 4.20 -1.54 0.21 115.11 119.28 1wb9 h GLN 339 Ca 0.03 -0.08 0.08 0.00 0.06 0.00 0.00 58.65 58.74 1wb9 h GLN 339 Cb 1.01 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 1wb9 h GLN 339 CO 0.10 0.44 0.44 -1.35 -0.67 0.00 0.00 178.83 177.79 1wb9 h PRO 340 N 0.14 0.61 0.10 1.46 0.11 -1.76 -0.98 132.00 131.68 1wb9 h PRO 340 Ca 0.06 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 1wb9 h PRO 340 Cb 0.27 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 31.26 1wb9 h PRO 340 CO 0.00 0.40 -0.90 0.28 -0.21 0.00 0.00 178.00 177.57 1wb9 h VAL 341 N 0.62 1.42 -0.82 3.15 2.07 -1.63 -3.20 116.25 117.87 1wb9 h VAL 341 Ca 0.30 -2.39 0.05 0.00 0.82 0.00 0.00 66.70 65.47 1wb9 h VAL 341 Cb 0.36 2.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.97 1wb9 h VAL 341 CO -0.10 0.70 0.54 -0.07 0.02 0.00 0.00 177.57 178.66 1wb9 h LEU 342 N -0.10 0.84 -1.22 2.57 3.38 -0.83 -1.82 115.31 118.13 1wb9 h LEU 342 Ca -0.14 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1wb9 h LEU 342 Cb 1.65 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 1wb9 h LEU 342 CO 0.17 0.56 0.54 -0.09 0.09 0.00 0.00 178.44 179.72 1wb9 h ARG 343 N 0.96 0.98 0.00 1.13 2.43 -1.17 -1.55 114.38 117.16 1wb9 h ARG 343 Ca 0.34 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1wb9 h ARG 343 Cb 0.12 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1wb9 h ARG 343 CO -0.11 0.65 0.00 1.04 -1.51 0.00 0.00 179.97 180.04 1wb9 n GLN 344 N -4.45 0.18 0.08 0.20 1.13 -0.69 -2.42 117.38 111.41 1wb9 n GLN 344 Ca 0.11 0.42 -0.05 0.00 -1.94 0.00 0.00 57.00 55.55 1wb9 n GLN 344 Cb 0.13 -1.85 0.13 0.00 0.11 0.00 0.00 30.24 28.76 1wb9 n GLN 344 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1wb9 h VAL 345 N 0.00 1.37 -0.30 5.09 2.07 -1.26 -3.39 116.25 119.84 1wb9 h VAL 345 Ca 0.00 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1wb9 h VAL 345 Cb 0.33 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1wb9 h VAL 345 CO 0.00 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.77 1wb9 n GLY 346 N 0.20 -0.06 2.95 2.17 0.00 -1.02 -4.00 105.19 105.45 1wb9 n GLY 346 Ca -0.02 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1wb9 n GLY 346 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wb9 n ASP 347 N -1.28 6.07 -0.00 1.61 -0.08 -1.26 -4.61 116.55 117.00 1wb9 n ASP 347 Ca 0.00 -3.33 0.02 0.00 -1.51 0.00 0.00 54.79 49.97 1wb9 n ASP 347 Cb 0.00 -1.33 0.36 0.00 2.34 0.00 0.00 41.12 42.49 1wb9 n ASP 347 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1wb9 h LEU 348 N 6.12 0.48 -0.15 -2.67 5.85 -1.96 -2.87 115.31 120.11 1wb9 h LEU 348 Ca 0.27 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1wb9 h LEU 348 Cb 0.61 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1wb9 h LEU 348 CO 1.42 0.45 -0.32 -0.08 -0.34 0.00 0.00 178.44 179.57 1wb9 h GLU 349 N 0.53 -0.37 0.00 1.25 4.81 -1.89 -0.51 114.58 118.41 1wb9 h GLU 349 Ca 0.13 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1wb9 h GLU 349 Cb 0.12 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1wb9 h GLU 349 CO -0.01 -0.25 -0.61 0.00 -0.73 0.00 0.00 179.01 177.41 1wb9 h ARG 350 N -0.39 0.00 -0.62 1.92 3.08 -1.63 -2.50 114.38 114.24 1wb9 h ARG 350 Ca 0.10 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1wb9 h ARG 350 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1wb9 h ARG 350 CO -0.37 0.61 0.19 0.82 -1.07 0.00 0.00 179.97 180.15 1wb9 h ILE 351 N 0.00 1.25 -0.19 2.04 2.04 -1.29 -2.25 117.51 119.11 1wb9 h ILE 351 Ca -0.01 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 1wb9 h ILE 351 Cb 1.15 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1wb9 h ILE 351 CO 0.08 0.32 -0.14 -0.07 0.00 0.00 0.00 178.15 178.34 1wb9 h LEU 352 N 0.90 0.30 -0.45 1.44 3.38 -0.71 -0.52 115.31 119.65 1wb9 h LEU 352 Ca 0.20 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1wb9 h LEU 352 Cb 0.30 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1wb9 h LEU 352 CO -0.01 0.46 0.12 0.00 0.09 0.00 0.00 178.44 179.11 1wb9 h ALA 353 N 1.57 0.59 -0.62 1.53 0.00 -1.04 -0.90 119.26 120.40 1wb9 h ALA 353 Ca 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1wb9 h ALA 353 Cb 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1wb9 h ALA 353 CO 0.03 0.26 0.25 0.00 0.00 0.00 0.00 179.25 179.79 1wb9 h ARG 354 N 0.59 0.90 -0.19 0.00 3.08 -0.90 -0.96 114.38 116.91 1wb9 h ARG 354 Ca 0.14 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1wb9 h ARG 354 Cb 0.30 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1wb9 h ARG 354 CO -0.00 0.74 -0.04 1.25 -1.07 0.00 0.00 179.97 180.84 1wb9 h LEU 355 N 0.89 -0.17 -1.22 3.04 5.85 -0.89 -0.33 115.31 122.48 1wb9 h LEU 355 Ca 0.21 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1wb9 h LEU 355 Cb 0.17 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1wb9 h LEU 355 CO -0.02 -0.06 0.53 0.00 -0.34 0.00 0.00 178.44 178.55 1wb9 h ALA 356 N 1.19 1.45 -0.00 1.25 0.00 -0.64 -1.99 119.26 120.51 1wb9 h ALA 356 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wb9 h ALA 356 Cb 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1wb9 h ALA 356 CO -0.19 0.50 -0.12 1.28 0.00 0.00 0.00 179.25 180.72 1wb9 n LEU 357 N -4.42 0.49 -2.47 0.00 4.77 -0.41 -4.58 117.00 110.38 1wb9 n LEU 357 Ca 0.09 0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 1wb9 n LEU 357 Cb 0.05 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1wb9 n LEU 357 CO 0.36 0.09 -0.07 0.54 -1.33 0.00 0.00 177.39 176.98 1wb9 n ARG 358 N -0.96 -3.42 -0.01 3.23 1.74 -0.33 -4.90 116.66 112.01 1wb9 n ARG 358 Ca 0.14 0.82 0.04 0.00 -0.77 0.00 0.00 57.85 58.08 1wb9 n ARG 358 Cb 0.28 -5.40 0.04 0.00 -1.02 0.00 0.00 32.46 26.36 1wb9 n ARG 358 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wb9 n THR 359 N -4.25 0.11 -1.72 0.55 -2.24 -0.29 -5.02 114.28 101.41 1wb9 n THR 359 Ca -0.13 -0.55 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 1wb9 n THR 359 Cb 0.62 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.92 1wb9 n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wb9 s ALA 360 N -0.69 3.93 0.50 6.98 0.00 -0.95 -4.94 121.76 126.60 1wb9 s ALA 360 Ca 0.10 1.58 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 1wb9 s ALA 360 Cb 0.07 -3.71 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 1wb9 s ALA 360 CO 0.10 -0.96 0.77 1.03 0.00 0.00 0.00 175.76 176.70 1wb9 s ARG 361 N 1.36 3.11 0.29 0.00 0.52 -1.26 -4.91 118.95 118.05 1wb9 s ARG 361 Ca 0.76 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.82 1wb9 s ARG 361 Cb -0.50 -2.42 0.61 0.00 0.52 0.00 0.00 34.95 33.17 1wb9 s ARG 361 CO 0.33 -0.40 1.81 -1.35 0.02 0.00 0.00 175.30 175.70 1wb9 h PRO 362 N 0.16 0.86 0.00 3.54 0.11 -1.79 0.12 132.00 135.01 1wb9 h PRO 362 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1wb9 h PRO 362 Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1wb9 h PRO 362 CO 0.60 0.57 0.00 0.00 -0.21 0.00 0.00 178.00 178.96 1wb9 h ARG 363 N 0.89 0.00 0.01 1.05 3.08 -1.82 -0.59 114.38 117.00 1wb9 h ARG 363 Ca 0.52 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.57 1wb9 h ARG 363 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1wb9 h ARG 363 CO -0.31 0.00 -0.00 -0.44 -1.07 0.00 0.00 179.97 178.14 1wb9 h ASP 364 N 0.00 -0.01 -0.03 7.04 3.32 -1.14 -1.70 116.42 123.90 1wb9 h ASP 364 Ca 0.00 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 1wb9 h ASP 364 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1wb9 h ASP 364 CO 0.00 0.28 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.55 1wb9 h LEU 365 N -0.30 0.37 -0.72 1.55 3.38 -0.97 0.48 115.31 119.10 1wb9 h LEU 365 Ca -0.00 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1wb9 h LEU 365 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1wb9 h LEU 365 CO 0.00 0.57 -0.34 0.00 0.09 0.00 0.00 178.44 178.76 1wb9 h ALA 366 N 1.46 0.89 0.00 1.53 0.00 -1.11 -0.28 119.26 121.76 1wb9 h ALA 366 Ca 0.06 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1wb9 h ALA 366 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1wb9 h ALA 366 CO 0.03 0.63 -0.62 0.00 0.00 0.00 0.00 179.25 179.29 1wb9 h ARG 367 N 0.50 0.00 -0.04 0.00 3.08 -0.83 -0.74 114.38 116.35 1wb9 h ARG 367 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1wb9 h ARG 367 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1wb9 h ARG 367 CO 0.07 0.62 0.01 1.98 -1.07 0.00 0.00 179.97 181.57 1wb9 h MET 368 N 0.00 0.07 -0.42 0.04 4.05 -0.55 -1.35 114.93 116.77 1wb9 h MET 368 Ca -0.01 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.46 1wb9 h MET 368 Cb 1.14 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.88 1wb9 h MET 368 CO 0.08 0.32 0.10 -0.09 0.23 0.00 0.00 176.91 177.55 1wb9 h ARG 369 N -0.19 0.24 -0.52 0.39 2.43 -0.90 -1.20 114.38 114.62 1wb9 h ARG 369 Ca 0.01 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1wb9 h ARG 369 Cb 0.28 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1wb9 h ARG 369 CO 0.00 0.16 0.34 1.25 -1.51 0.00 0.00 179.97 180.21 1wb9 h HIS 370 N 0.24 0.55 -0.11 2.20 2.76 -1.01 -1.96 115.15 117.82 1wb9 h HIS 370 Ca 0.20 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1wb9 h HIS 370 Cb 0.23 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 1wb9 h HIS 370 CO -0.19 0.32 -0.07 0.00 -1.30 0.00 0.00 177.93 176.69 1wb9 h ALA 371 N 1.70 0.16 -0.78 5.26 0.00 -0.48 -3.01 119.26 122.10 1wb9 h ALA 371 Ca 0.21 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 55.01 1wb9 h ALA 371 Cb 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1wb9 h ALA 371 CO -0.06 -0.04 0.52 0.74 0.00 0.00 0.00 179.25 180.42 1wb9 h PHE 372 N -0.13 0.47 0.00 0.00 0.04 -0.69 -0.80 116.94 115.83 1wb9 h PHE 372 Ca 0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1wb9 h PHE 372 Cb 0.55 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1wb9 h PHE 372 CO 0.07 0.17 0.00 1.04 -0.60 0.00 0.00 178.31 178.99 1wb9 n GLN 373 N -4.48 0.06 0.03 1.51 6.02 -0.79 -2.41 117.38 117.33 1wb9 n GLN 373 Ca 0.15 0.14 0.11 0.00 -0.01 0.00 0.00 57.00 57.40 1wb9 n GLN 373 Cb 0.57 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.35 1wb9 n GLN 373 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1wb9 n GLN 374 N -1.45 0.29 -0.08 -1.09 1.13 -0.31 -4.59 117.38 111.29 1wb9 n GLN 374 Ca 0.06 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 54.98 1wb9 n GLN 374 Cb 0.22 -1.59 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 1wb9 n GLN 374 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1wb9 h LEU 375 N 0.00 0.61 -0.86 1.08 4.07 -1.50 -1.05 115.31 117.65 1wb9 h LEU 375 Ca 0.00 -0.48 0.06 0.00 0.08 0.00 0.00 57.88 57.54 1wb9 h LEU 375 Cb 0.73 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.24 1wb9 h LEU 375 CO 0.00 0.96 0.53 -0.65 -1.08 0.00 0.00 178.44 178.21 1wb9 h PRO 376 N 0.26 0.94 -0.41 1.13 0.11 -1.81 0.17 132.00 132.39 1wb9 h PRO 376 Ca 0.03 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1wb9 h PRO 376 Cb 0.80 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1wb9 h PRO 376 CO 0.06 0.62 0.12 1.49 -0.21 0.00 0.00 178.00 180.08 1wb9 h GLU 377 N 0.97 0.65 -0.52 1.05 4.57 -1.75 -2.01 114.58 117.54 1wb9 h GLU 377 Ca 0.38 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1wb9 h GLU 377 Cb 0.18 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1wb9 h GLU 377 CO -0.18 0.65 0.20 -0.07 -1.18 0.00 0.00 179.01 178.44 1wb9 h LEU 378 N 0.52 0.71 -0.91 1.64 3.38 -0.79 -1.73 115.31 118.14 1wb9 h LEU 378 Ca 0.13 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1wb9 h LEU 378 Cb 0.28 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 1wb9 h LEU 378 CO -0.00 0.69 0.54 0.03 0.09 0.00 0.00 178.44 179.78 1wb9 h ARG 379 N 0.69 0.81 -0.10 1.13 3.08 -0.54 -1.47 114.38 117.97 1wb9 h ARG 379 Ca 0.17 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 1wb9 h ARG 379 Cb 0.20 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.08 1wb9 h ARG 379 CO -0.01 0.53 -0.50 0.00 -1.07 0.00 0.00 179.97 178.92 1wb9 h ALA 380 N 1.52 0.20 -0.40 0.04 0.00 -0.93 -1.96 119.26 117.74 1wb9 h ALA 380 Ca 0.46 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wb9 h ALA 380 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1wb9 h ALA 380 CO -0.29 0.39 0.17 1.96 0.00 0.00 0.00 179.25 181.48 1wb9 h GLN 381 N 0.13 0.55 0.00 0.00 4.20 -1.13 -3.06 115.11 115.80 1wb9 h GLN 381 Ca -0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1wb9 h GLN 381 Cb 1.15 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1wb9 h GLN 381 CO 0.10 0.45 -0.62 1.28 -0.67 0.00 0.00 178.83 179.38 1wb9 n LEU 382 N -4.40 0.61 -0.24 1.46 4.77 -0.57 -3.94 117.00 114.69 1wb9 n LEU 382 Ca 0.03 0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 56.11 1wb9 n LEU 382 Cb 0.13 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.15 1wb9 n LEU 382 CO 0.37 0.01 1.07 -0.08 -1.33 0.00 0.00 177.39 177.43 1wb9 h GLU 383 N 0.00 1.06 0.00 3.23 4.81 -1.25 -2.87 114.58 119.57 1wb9 h GLU 383 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1wb9 h GLU 383 Cb 0.66 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1wb9 h GLU 383 CO 0.00 0.85 -0.25 0.00 -0.73 0.00 0.00 179.01 178.88 1wb9 h THR 384 N 1.05 0.00 -2.67 0.32 1.03 -1.73 -3.44 112.91 107.46 1wb9 h THR 384 Ca 0.25 -0.71 -0.57 0.00 -0.01 0.00 0.00 66.41 65.37 1wb9 h THR 384 Cb 0.17 1.56 -0.03 0.00 -1.07 0.00 0.00 68.15 68.79 1wb9 h THR 384 CO -0.02 0.00 1.23 -0.69 -0.01 0.00 0.00 175.52 176.03 1wb9 s VAL 385 N -3.18 3.52 -0.77 0.00 1.01 -1.09 -4.92 120.40 114.96 1wb9 s VAL 385 Ca 0.07 0.55 -0.26 0.00 0.00 0.00 0.00 61.98 62.34 1wb9 s VAL 385 Cb 0.10 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1wb9 s VAL 385 CO 0.67 -0.35 1.44 -0.62 0.00 0.00 0.00 175.10 176.24 1wb9 s ASP 386 N 5.51 6.01 -0.30 3.32 -1.08 -1.26 -4.77 116.67 124.09 1wb9 s ASP 386 Ca 0.78 -0.48 -0.18 0.00 -0.52 0.00 0.00 52.55 52.15 1wb9 s ASP 386 Cb -0.24 -2.56 0.19 0.00 -1.46 0.00 0.00 42.92 38.85 1wb9 s ASP 386 CO 0.33 -1.92 1.22 -0.55 0.52 0.00 0.00 175.17 174.76 1wb9 s SER 387 N 4.90 -0.18 0.14 -0.34 0.15 -1.26 -4.87 113.70 112.25 1wb9 s SER 387 Ca 0.44 0.25 -0.16 0.00 0.70 0.00 0.00 55.95 57.18 1wb9 s SER 387 Cb -0.07 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 1wb9 s SER 387 CO 0.11 -0.04 1.77 0.00 1.20 0.00 0.00 173.24 176.29 1wb9 h ALA 388 N 7.04 0.49 -0.66 5.45 0.00 -1.99 -2.03 119.26 127.56 1wb9 h ALA 388 Ca -0.15 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1wb9 h ALA 388 Cb 1.13 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1wb9 h ALA 388 CO 0.08 -0.01 0.44 -1.35 0.00 0.00 0.00 179.25 178.40 1wb9 h PRO 389 N 0.50 0.72 -0.42 0.00 0.11 -1.97 -0.24 132.00 130.71 1wb9 h PRO 389 Ca 0.14 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 1wb9 h PRO 389 Cb 0.01 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1wb9 h PRO 389 CO -0.03 0.48 -0.30 0.28 -0.21 0.00 0.00 178.00 178.23 1wb9 h VAL 390 N 0.75 1.27 -0.14 3.15 2.07 -1.86 -2.28 116.25 119.21 1wb9 h VAL 390 Ca 0.27 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.24 1wb9 h VAL 390 Cb 0.14 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1wb9 h VAL 390 CO -0.08 0.50 -0.30 1.56 0.02 0.00 0.00 177.57 179.27 1wb9 h GLN 391 N 0.78 0.26 -0.48 1.57 1.08 -0.82 0.67 115.11 118.16 1wb9 h GLN 391 Ca 0.08 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 1wb9 h GLN 391 Cb 0.88 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 1wb9 h GLN 391 CO 0.08 0.54 -0.17 0.00 -0.95 0.00 0.00 178.83 178.33 1wb9 h ALA 392 N 1.47 0.79 -0.28 3.87 0.00 -0.94 -1.59 119.26 122.57 1wb9 h ALA 392 Ca 0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1wb9 h ALA 392 Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wb9 h ALA 392 CO 0.05 0.66 0.01 -0.07 0.00 0.00 0.00 179.25 179.90 1wb9 h LEU 393 N 0.83 0.47 -0.93 0.00 3.38 -1.02 -1.88 115.31 116.15 1wb9 h LEU 393 Ca 0.12 -0.30 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1wb9 h LEU 393 Cb 0.72 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1wb9 h LEU 393 CO 0.06 0.65 0.56 -0.09 0.09 0.00 0.00 178.44 179.71 1wb9 h ARG 394 N 0.27 0.85 -0.14 1.13 2.43 -0.80 0.18 114.38 118.31 1wb9 h ARG 394 Ca 0.08 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1wb9 h ARG 394 Cb 0.41 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1wb9 h ARG 394 CO 0.01 0.56 -0.02 1.49 -1.51 0.00 0.00 179.97 180.51 1wb9 h GLU 395 N 0.88 0.27 0.00 0.20 4.57 -1.21 -3.16 114.58 116.13 1wb9 h GLU 395 Ca 0.46 -0.10 -0.05 0.00 -1.18 0.00 0.00 59.36 58.50 1wb9 h GLU 395 Cb 0.48 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1wb9 h GLU 395 CO -0.27 0.53 -0.24 -0.22 -1.18 0.00 0.00 179.01 177.63 1wb9 h LYS 396 N -0.02 0.00 0.00 1.92 3.64 -0.43 -1.95 116.57 119.74 1wb9 h LYS 396 Ca 0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1wb9 h LYS 396 Cb 0.42 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1wb9 h LYS 396 CO 0.01 0.24 -0.09 0.00 -2.27 0.00 0.00 179.45 177.34 1wb9 h MET 397 N 0.00 0.00 0.00 1.90 -0.00 -0.97 -3.29 114.93 112.57 1wb9 h MET 397 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1wb9 h MET 397 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 1wb9 h MET 397 CO 0.03 0.09 0.00 0.41 -0.00 0.00 0.00 176.91 177.44 1wb9 n GLY 398 N 0.09 -0.06 2.01 -3.00 0.00 -0.73 -4.70 105.19 98.79 1wb9 n GLY 398 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1wb9 n GLY 398 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wb9 n GLU 399 N 0.00 0.00 -3.08 1.61 2.13 -1.26 -4.90 120.64 115.14 1wb9 n GLU 399 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1wb9 n GLU 399 Cb 0.00 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.75 1wb9 n GLU 399 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1wb9 n PHE 400 N -2.59 -1.85 -0.33 4.31 3.72 -1.26 -4.88 117.46 114.58 1wb9 n PHE 400 Ca 0.00 0.58 0.13 0.00 -0.05 0.00 0.00 57.45 58.11 1wb9 n PHE 400 Cb 0.00 -3.90 0.32 0.00 -0.94 0.00 0.00 39.48 34.96 1wb9 n PHE 400 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wb9 h ALA 401 N 0.78 1.60 -0.50 4.37 0.00 -1.98 0.15 119.26 123.67 1wb9 h ALA 401 Ca -0.42 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1wb9 h ALA 401 Cb 1.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1wb9 h ALA 401 CO 0.43 -0.16 -0.07 0.93 0.00 0.00 0.00 179.25 180.39 1wb9 h GLU 402 N 0.63 0.93 -0.01 0.00 3.07 -1.99 -0.89 114.58 116.32 1wb9 h GLU 402 Ca 0.57 -0.33 -0.21 0.00 -0.50 0.00 0.00 59.36 58.90 1wb9 h GLU 402 Cb 0.97 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1wb9 h GLU 402 CO -0.43 0.99 -0.88 -0.07 -1.40 0.00 0.00 179.01 177.22 1wb9 h LEU 403 N 0.79 0.40 -0.33 1.33 3.38 -1.65 -2.10 115.31 117.14 1wb9 h LEU 403 Ca 0.13 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1wb9 h LEU 403 Cb 0.61 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1wb9 h LEU 403 CO 0.04 1.11 0.19 -0.09 0.09 0.00 0.00 178.44 179.78 1wb9 h ARG 404 N 0.18 0.38 -0.68 1.13 2.43 -0.65 -2.14 114.38 115.03 1wb9 h ARG 404 Ca -0.06 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1wb9 h ARG 404 Cb 1.51 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.94 1wb9 h ARG 404 CO 0.15 0.25 0.20 0.22 -1.51 0.00 0.00 179.97 179.28 1wb9 h ASP 405 N 0.39 1.00 -0.28 -3.80 3.58 -1.08 -1.70 116.42 114.54 1wb9 h ASP 405 Ca 0.13 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1wb9 h ASP 405 Cb 0.01 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 1wb9 h ASP 405 CO -0.07 0.95 0.18 0.25 -2.88 0.00 0.00 179.24 177.68 1wb9 h LEU 406 N 1.00 0.31 -1.13 2.28 5.85 -1.21 -1.96 115.31 120.45 1wb9 h LEU 406 Ca 0.22 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1wb9 h LEU 406 Cb 0.32 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1wb9 h LEU 406 CO -0.00 0.23 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.89 1wb9 h LEU 407 N 0.37 0.13 -1.04 2.25 3.38 -1.22 0.17 115.31 119.35 1wb9 h LEU 407 Ca 0.10 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1wb9 h LEU 407 Cb -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wb9 h LEU 407 CO -0.03 0.49 -0.38 -0.33 0.09 0.00 0.00 178.44 178.29 1wb9 h GLU 408 N 0.11 0.19 0.00 1.13 5.08 -0.93 -2.30 114.58 117.86 1wb9 h GLU 408 Ca 0.01 -0.08 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 1wb9 h GLU 408 Cb 0.70 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1wb9 h GLU 408 CO 0.05 0.55 -1.55 0.54 -1.00 0.00 0.00 179.01 177.60 1wb9 n ARG 409 N -4.06 0.62 0.03 2.33 1.74 -0.77 -4.41 116.66 112.14 1wb9 n ARG 409 Ca -0.01 0.26 -0.14 0.00 -0.77 0.00 0.00 57.85 57.19 1wb9 n ARG 409 Cb 0.45 -1.80 -0.14 0.00 -1.02 0.00 0.00 32.46 29.94 1wb9 n ARG 409 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wb9 h ALA 410 N 1.22 0.48 -4.15 7.54 0.00 -0.90 -3.40 119.26 120.05 1wb9 h ALA 410 Ca -0.22 -1.25 -0.59 0.00 0.00 0.00 0.00 54.91 52.85 1wb9 h ALA 410 Cb 1.79 0.37 -0.27 0.00 0.00 0.00 0.00 17.79 19.68 1wb9 h ALA 410 CO 0.06 1.33 -0.84 0.42 0.00 0.00 0.00 179.25 180.22 1wb9 s ILE 411 N -2.61 1.65 0.97 0.00 1.01 -0.87 -0.86 121.20 120.49 1wb9 s ILE 411 Ca -0.08 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.32 1wb9 s ILE 411 Cb 0.08 -1.42 0.17 0.00 0.01 0.00 0.00 42.46 41.29 1wb9 s ILE 411 CO 0.83 0.27 1.13 0.27 0.00 0.00 0.00 174.94 177.43 1wb9 s ILE 412 N -0.72 1.97 0.08 2.92 -4.36 -0.81 -4.69 121.20 115.59 1wb9 s ILE 412 Ca 0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 60.65 60.18 1wb9 s ILE 412 Cb -0.09 -2.65 -0.16 0.00 1.25 0.00 0.00 42.46 40.82 1wb9 s ILE 412 CO 0.01 0.00 1.67 0.44 0.24 0.00 0.00 174.94 177.30 1wb9 h ASP 413 N -1.74 -0.47 -3.47 4.36 3.32 -1.95 -3.33 116.42 113.15 1wb9 h ASP 413 Ca -0.52 0.02 -0.62 0.00 0.02 0.00 0.00 57.03 55.93 1wb9 h ASP 413 Cb 1.33 0.13 -0.41 0.00 0.22 0.00 0.00 39.33 40.60 1wb9 h ASP 413 CO 0.58 -0.32 -0.65 0.42 -1.72 0.00 0.00 179.24 177.56 1wb9 s THR 414 N -6.11 2.37 0.80 0.35 -4.23 -1.26 -5.03 115.64 102.53 1wb9 s THR 414 Ca -0.16 -3.62 -0.11 0.00 -1.18 0.00 0.00 61.69 56.63 1wb9 s THR 414 Cb 0.05 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 71.36 1wb9 s THR 414 CO 0.64 -0.95 1.09 -2.16 -0.54 0.00 0.00 174.62 172.70 1wb9 s PRO 415 N -0.73 2.02 1.02 3.99 0.04 -1.25 -5.03 135.00 135.06 1wb9 s PRO 415 Ca 0.22 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 1wb9 s PRO 415 Cb -0.13 -1.87 0.20 0.00 0.04 0.00 0.00 34.50 32.74 1wb9 s PRO 415 CO -0.10 -1.80 1.08 -1.25 0.04 0.00 0.00 177.00 174.98 1wb9 s PRO 416 N -4.89 0.24 0.23 0.56 0.04 -1.26 -4.75 135.00 125.16 1wb9 s PRO 416 Ca 0.62 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 62.21 1wb9 s PRO 416 Cb -0.18 -1.71 0.21 0.00 0.04 0.00 0.00 34.50 32.86 1wb9 s PRO 416 CO 0.56 -2.89 1.82 0.28 0.04 0.00 0.00 177.00 176.81 1wb9 h VAL 417 N -2.01 1.26 -3.01 -0.36 2.07 -1.97 -3.38 116.25 108.85 1wb9 h VAL 417 Ca -0.55 -0.75 -0.61 0.00 0.82 0.00 0.00 66.70 65.61 1wb9 h VAL 417 Cb 1.32 0.22 -0.17 0.00 -1.52 0.00 0.00 31.29 31.14 1wb9 h VAL 417 CO 0.56 0.32 -0.80 -0.76 0.02 0.00 0.00 177.57 176.90 1wb9 s LEU 418 N -9.77 2.47 0.18 2.57 1.43 -1.26 -4.20 118.68 110.10 1wb9 s LEU 418 Ca -0.12 -0.90 0.24 0.00 -1.03 0.00 0.00 54.13 52.32 1wb9 s LEU 418 Cb 0.16 -1.07 0.42 0.00 0.03 0.00 0.00 46.19 45.74 1wb9 s LEU 418 CO 0.83 0.06 1.44 1.62 0.23 0.00 0.00 176.35 180.53 1wb9 h VAL 419 N 3.01 0.00 0.00 -1.59 3.04 -1.90 -3.41 116.25 115.40 1wb9 h VAL 419 Ca -0.44 -0.60 -0.01 0.00 -1.01 0.00 0.00 66.70 64.65 1wb9 h VAL 419 Cb 1.22 1.32 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1wb9 h VAL 419 CO 0.51 0.00 -0.03 0.08 -1.01 0.00 0.00 177.57 177.12 1wb9 h ARG 420 N 0.00 0.00 -0.18 4.17 0.11 -1.99 -1.53 114.38 114.95 1wb9 h ARG 420 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wb9 h ARG 420 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 1wb9 h ARG 420 CO 0.00 0.03 0.00 -0.25 0.10 0.00 0.00 179.97 179.85 1wb9 n ASP 421 N -4.37 2.61 0.00 0.08 8.00 -1.26 -5.09 116.55 116.51 1wb9 n ASP 421 Ca -0.03 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1wb9 n ASP 421 Cb 0.12 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1wb9 n ASP 421 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wb9 n GLY 422 N 1.32 -0.79 2.27 0.44 0.00 -0.58 -4.98 105.19 102.87 1wb9 n GLY 422 Ca 0.17 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1wb9 n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wb9 n GLY 423 N 0.00 -0.01 0.65 -0.02 0.00 -1.26 -4.83 105.19 99.72 1wb9 n GLY 423 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1wb9 n GLY 423 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wb9 n VAL 424 N -3.96 0.52 -2.49 1.61 0.31 -1.26 -4.34 118.33 108.72 1wb9 n VAL 424 Ca -0.10 -0.14 -0.41 0.00 -0.01 0.00 0.00 64.34 63.68 1wb9 n VAL 424 Cb 0.58 -1.56 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 1wb9 n VAL 424 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1wb9 s ILE 425 N -2.17 3.83 0.51 2.52 -1.09 -1.26 -1.93 121.20 121.60 1wb9 s ILE 425 Ca -0.13 1.56 -0.17 0.00 -2.23 0.00 0.00 60.65 59.68 1wb9 s ILE 425 Cb 0.05 -4.00 -0.08 0.00 -1.58 0.00 0.00 42.46 36.85 1wb9 s ILE 425 CO 0.17 0.26 0.98 0.00 -1.23 0.00 0.00 174.94 175.12 1wb9 s ALA 426 N -0.15 3.05 0.48 9.38 0.00 -0.04 -4.77 121.76 129.71 1wb9 s ALA 426 Ca 0.50 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.45 1wb9 s ALA 426 Cb -0.30 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1wb9 s ALA 426 CO 0.35 -0.20 1.28 -1.54 0.00 0.00 0.00 175.76 175.65 1wb9 s SER 427 N -2.94 5.87 0.00 0.00 1.04 -1.26 -3.14 113.70 113.27 1wb9 s SER 427 Ca 0.59 2.59 0.00 0.00 0.48 0.00 0.00 55.95 59.61 1wb9 s SER 427 Cb -0.10 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1wb9 s SER 427 CO 0.29 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1wb9 n GLY 428 N 0.61 1.27 0.14 7.32 0.00 -1.26 -4.92 105.19 108.35 1wb9 n GLY 428 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1wb9 n GLY 428 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wb9 h TYR 429 N 0.00 0.82 -3.36 1.61 3.20 -1.76 -3.45 116.97 114.03 1wb9 h TYR 429 Ca 0.00 -0.60 -0.37 0.00 3.14 0.00 0.00 58.73 60.91 1wb9 h TYR 429 Cb 0.00 -0.03 -0.37 0.00 1.54 0.00 0.00 36.73 37.86 1wb9 h TYR 429 CO 0.00 1.59 -0.74 1.21 -1.64 0.00 0.00 178.16 178.58 1wb9 s ASN 430 N -7.40 0.95 0.21 -2.11 3.84 -1.26 -5.06 114.94 104.11 1wb9 s ASN 430 Ca -0.12 0.03 -0.03 0.00 0.21 0.00 0.00 52.86 52.96 1wb9 s ASN 430 Cb 0.05 -0.19 0.17 0.00 -0.55 0.00 0.00 41.25 40.74 1wb9 s ASN 430 CO 0.90 -0.20 1.57 1.05 -2.79 0.00 0.00 177.10 177.62 1wb9 h GLU 431 N 8.09 0.60 -0.90 0.43 4.11 -1.99 -2.56 114.58 122.36 1wb9 h GLU 431 Ca -0.23 -0.32 0.03 0.00 0.07 0.00 0.00 59.36 58.92 1wb9 h GLU 431 Cb 1.12 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 1wb9 h GLU 431 CO 0.26 0.91 0.59 1.49 0.07 0.00 0.00 179.01 182.33 1wb9 h GLU 432 N 0.49 1.10 -0.10 1.06 4.81 -1.99 -1.43 114.58 118.51 1wb9 h GLU 432 Ca 0.04 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1wb9 h GLU 432 Cb 0.94 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1wb9 h GLU 432 CO 0.08 0.73 -0.01 1.25 -0.73 0.00 0.00 179.01 180.33 1wb9 h LEU 433 N 1.13 0.18 -0.93 1.64 5.85 -1.90 -2.07 115.31 119.20 1wb9 h LEU 433 Ca 0.35 -0.32 0.13 0.00 0.84 0.00 0.00 57.88 58.88 1wb9 h LEU 433 Cb 0.00 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 40.90 1wb9 h LEU 433 CO -0.10 0.46 0.55 0.44 -0.34 0.00 0.00 178.44 179.44 1wb9 h ASP 434 N -0.10 0.75 0.03 1.25 3.32 -1.25 -0.62 116.42 119.81 1wb9 h ASP 434 Ca 0.03 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1wb9 h ASP 434 Cb 0.37 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1wb9 h ASP 434 CO 0.01 0.37 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.55 1wb9 h GLU 435 N 0.82 -0.04 -0.29 3.56 5.08 -0.96 -0.97 114.58 121.78 1wb9 h GLU 435 Ca 0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.81 1wb9 h GLU 435 Cb 0.57 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1wb9 h GLU 435 CO -0.30 0.03 0.03 -1.49 -1.00 0.00 0.00 179.01 176.27 1wb9 h TRP 436 N -0.10 0.44 -0.11 4.33 -0.00 -0.92 -2.86 115.95 116.73 1wb9 h TRP 436 Ca -0.00 -0.03 -0.16 0.00 -0.00 0.00 0.00 58.89 58.70 1wb9 h TRP 436 Cb 0.09 -0.13 0.01 0.00 -0.00 0.00 0.00 29.16 29.12 1wb9 h TRP 436 CO -0.06 0.42 -0.54 0.00 -0.00 0.00 0.00 178.44 178.26 1wb9 h ARG 437 N 0.42 0.56 0.00 0.49 3.08 -0.90 -3.15 114.38 114.88 1wb9 h ARG 437 Ca 0.10 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1wb9 h ARG 437 Cb 0.23 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1wb9 h ARG 437 CO 0.00 1.08 -0.02 0.00 -1.07 0.00 0.00 179.97 179.97 1wb9 h ALA 438 N 0.48 1.55 0.22 0.04 0.00 -0.96 -1.57 119.26 119.02 1wb9 h ALA 438 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wb9 h ALA 438 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wb9 h ALA 438 CO 0.11 0.02 -0.11 -0.07 0.00 0.00 0.00 179.25 179.21 1wb9 h LEU 439 N 0.00 -0.25 -5.49 0.00 4.07 -1.48 -2.72 115.31 109.44 1wb9 h LEU 439 Ca -0.00 -0.18 -0.70 0.00 0.08 0.00 0.00 57.88 57.07 1wb9 h LEU 439 Cb 0.04 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 1wb9 h LEU 439 CO 0.00 0.05 3.26 0.00 -1.08 0.00 0.00 178.44 180.67 1wb9 n ALA 440 N -2.38 6.77 0.00 1.53 0.00 -0.60 -3.55 120.51 122.28 1wb9 n ALA 440 Ca -0.09 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.56 1wb9 n ALA 440 Cb 0.23 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.41 1wb9 n ALA 440 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wb9 n ASP 441 N 3.84 0.00 0.19 0.00 2.03 -1.18 -4.81 116.55 116.61 1wb9 n ASP 441 Ca 0.66 0.00 0.03 0.00 0.52 0.00 0.00 54.79 56.00 1wb9 n ASP 441 Cb 0.28 0.20 0.38 0.00 -0.72 0.00 0.00 41.12 41.27 1wb9 n ASP 441 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1wb9 h GLY 442 N 0.00 0.00 0.00 0.27 0.00 -1.59 -3.30 103.07 98.45 1wb9 h GLY 442 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wb9 h GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1wb9 n ALA 443 N -2.45 0.00 -0.31 3.60 0.00 -1.23 -0.57 120.51 119.56 1wb9 n ALA 443 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.45 1wb9 n ALA 443 Cb 0.40 0.14 0.10 0.00 0.00 0.00 0.00 19.45 20.09 1wb9 n ALA 443 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1wb9 h THR 444 N 0.00 0.13 -0.51 0.00 1.35 -1.91 -0.89 112.91 111.08 1wb9 h THR 444 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.79 1wb9 h THR 444 Cb 0.00 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.53 1wb9 h THR 444 CO 0.00 0.00 0.06 -0.78 -0.25 0.00 0.00 175.52 174.55 1wb9 h ASP 445 N -0.01 0.83 -0.70 5.36 3.58 -1.64 -2.92 116.42 120.91 1wb9 h ASP 445 Ca 0.40 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.58 1wb9 h ASP 445 Cb 0.62 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1wb9 h ASP 445 CO -0.89 0.90 0.47 0.22 -2.88 0.00 0.00 179.24 177.06 1wb9 h TYR 446 N 0.73 0.88 -0.13 0.28 3.20 0.55 -2.27 116.97 120.21 1wb9 h TYR 446 Ca 0.15 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.87 1wb9 h TYR 446 Cb 0.44 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1wb9 h TYR 446 CO 0.03 0.55 -0.64 -0.07 -1.64 0.00 0.00 178.16 176.39 1wb9 h LEU 447 N 0.95 0.56 -0.52 2.82 3.38 -1.28 -0.87 115.31 120.35 1wb9 h LEU 447 Ca 0.26 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1wb9 h LEU 447 Cb -0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1wb9 h LEU 447 CO -0.06 1.06 0.02 -0.08 0.09 0.00 0.00 178.44 179.47 1wb9 h GLU 448 N 0.36 0.90 -0.15 1.13 4.81 -1.28 -2.13 114.58 118.21 1wb9 h GLU 448 Ca -0.01 -0.28 -0.20 0.00 -0.13 0.00 0.00 59.36 58.74 1wb9 h GLU 448 Cb 1.20 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1wb9 h GLU 448 CO 0.12 0.92 -0.70 0.00 -0.73 0.00 0.00 179.01 178.61 1wb9 h ARG 449 N 0.77 0.64 -0.94 1.92 3.08 -1.27 -1.80 114.38 116.79 1wb9 h ARG 449 Ca 0.15 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1wb9 h ARG 449 Cb 0.50 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 1wb9 h ARG 449 CO 0.02 1.11 0.59 1.25 -1.07 0.00 0.00 179.97 181.87 1wb9 h LEU 450 N 0.46 1.10 0.16 3.04 5.85 -1.20 -1.39 115.31 123.33 1wb9 h LEU 450 Ca -0.03 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1wb9 h LEU 450 Cb 1.30 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1wb9 h LEU 450 CO 0.14 0.83 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.91 1wb9 h GLU 451 N 1.28 -0.21 -0.35 1.25 4.81 -0.93 -0.43 114.58 120.01 1wb9 h GLU 451 Ca 0.34 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 1wb9 h GLU 451 Cb -0.10 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1wb9 h GLU 451 CO -0.07 0.08 -0.21 -0.39 -0.73 0.00 0.00 179.01 177.69 1wb9 h VAL 452 N -0.50 1.27 -0.28 0.32 -1.51 -1.26 0.11 116.25 114.40 1wb9 h VAL 452 Ca -0.02 -1.28 -0.03 0.00 -1.23 0.00 0.00 66.70 64.14 1wb9 h VAL 452 Cb 0.39 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 1wb9 h VAL 452 CO 0.04 0.42 0.06 -0.09 -1.23 0.00 0.00 177.57 176.77 1wb9 h ARG 453 N 0.59 0.45 -0.22 5.19 2.43 -1.20 -1.32 114.38 120.30 1wb9 h ARG 453 Ca 0.09 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 1wb9 h ARG 453 Cb 0.68 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1wb9 h ARG 453 CO 0.05 0.55 -0.53 0.93 -1.51 0.00 0.00 179.97 179.46 1wb9 h GLU 454 N 0.28 0.64 -0.30 0.20 4.39 -0.83 -1.89 114.58 117.07 1wb9 h GLU 454 Ca 0.09 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1wb9 h GLU 454 Cb 0.30 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1wb9 h GLU 454 CO 0.00 1.01 0.18 -0.09 -1.16 0.00 0.00 179.01 178.95 1wb9 h ARG 455 N 0.49 0.40 -0.15 2.33 2.43 -0.89 -1.47 114.38 117.52 1wb9 h ARG 455 Ca 0.01 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1wb9 h ARG 455 Cb 1.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1wb9 h ARG 455 CO 0.10 0.29 -0.48 0.93 -1.51 0.00 0.00 179.97 179.31 1wb9 h GLU 456 N 0.38 0.38 -0.06 0.20 5.08 -1.13 -0.84 114.58 118.59 1wb9 h GLU 456 Ca 0.11 -0.21 -0.20 0.00 -1.00 0.00 0.00 59.36 58.06 1wb9 h GLU 456 Cb -0.01 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wb9 h GLU 456 CO -0.02 0.78 -0.74 -0.09 -1.00 0.00 0.00 179.01 177.94 1wb9 h ARG 457 N 0.30 0.61 0.00 2.33 2.43 -1.30 -3.26 114.38 115.49 1wb9 h ARG 457 Ca 0.02 -0.57 -0.09 0.00 -0.81 0.00 0.00 59.98 58.52 1wb9 h ARG 457 Cb 0.96 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1wb9 h ARG 457 CO 0.08 1.19 -0.52 1.79 -1.51 0.00 0.00 179.97 181.00 1wb9 h THR 458 N 0.24 0.66 -0.48 0.20 1.35 -1.27 -3.48 112.91 110.12 1wb9 h THR 458 Ca -0.08 -1.96 -0.17 0.00 -0.55 0.00 0.00 66.41 63.66 1wb9 h THR 458 Cb 1.40 2.29 -0.06 0.00 -1.73 0.00 0.00 68.15 70.05 1wb9 h THR 458 CO 0.15 0.38 -0.16 0.61 -0.25 0.00 0.00 175.52 176.24 1wb9 n GLY 459 N 1.22 0.91 3.22 5.82 0.00 -0.33 -5.00 105.19 111.03 1wb9 n GLY 459 Ca 0.01 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1wb9 n GLY 459 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wb9 s LEU 460 N -1.95 5.42 0.00 0.99 1.43 -1.15 -4.96 118.68 118.46 1wb9 s LEU 460 Ca 0.00 -1.76 0.18 0.00 -1.03 0.00 0.00 54.13 51.52 1wb9 s LEU 460 Cb 0.00 -1.98 0.79 0.00 0.03 0.00 0.00 46.19 45.03 1wb9 s LEU 460 CO 0.00 -0.61 1.55 -0.90 0.23 0.00 0.00 176.35 176.62 1wb9 n ASP 461 N 4.87 0.00 -0.12 2.29 5.68 -1.26 -2.09 116.55 125.93 1wb9 n ASP 461 Ca -0.08 0.37 0.13 0.00 -0.50 0.00 0.00 54.79 54.70 1wb9 n ASP 461 Cb 0.42 -0.44 0.33 0.00 -1.14 0.00 0.00 41.12 40.29 1wb9 n ASP 461 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1wb9 n THR 462 N -1.44 0.00 -1.71 2.12 -2.24 -1.26 -4.95 114.28 104.80 1wb9 n THR 462 Ca 0.05 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 1wb9 n THR 462 Cb 0.19 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1wb9 n THR 462 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1wb9 n LEU 463 N -1.08 3.76 -3.95 3.22 0.00 -0.89 -4.55 117.00 113.52 1wb9 n LEU 463 Ca 0.09 1.11 -0.10 0.00 0.00 0.00 0.00 56.01 57.12 1wb9 n LEU 463 Cb 0.34 -1.52 -0.11 0.00 0.00 0.00 0.00 43.42 42.13 1wb9 n LEU 463 CO 0.30 -0.07 -0.30 -0.54 0.00 0.00 0.00 177.39 176.78 1wb9 s LYS 464 N 0.16 0.38 -0.17 1.96 -0.14 -0.66 -4.90 119.74 116.36 1wb9 s LYS 464 Ca 0.70 -0.58 -0.05 0.00 -1.36 0.00 0.00 55.97 54.68 1wb9 s LYS 464 Cb -0.57 0.14 -0.03 0.00 -1.68 0.00 0.00 37.83 35.69 1wb9 s LYS 464 CO 0.43 -0.07 0.01 0.08 -0.76 0.00 0.00 175.35 175.04 1wb9 s VAL 465 N -1.56 4.30 0.33 3.17 1.01 -1.26 -0.11 120.40 126.29 1wb9 s VAL 465 Ca -0.15 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1wb9 s VAL 465 Cb -0.08 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1wb9 s VAL 465 CO -0.01 0.47 0.28 0.61 0.00 0.00 0.00 175.10 176.46 1wb9 n GLY 466 N 3.59 2.91 3.06 4.51 0.00 -0.64 -4.99 105.19 113.63 1wb9 n GLY 466 Ca -0.17 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 1wb9 n GLY 466 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wb9 s PHE 467 N -3.35 0.96 -0.01 1.61 5.36 -1.26 -1.30 117.98 119.98 1wb9 s PHE 467 Ca 0.40 -0.20 0.05 0.00 -0.96 0.00 0.00 56.93 56.22 1wb9 s PHE 467 Cb 0.02 -0.61 -0.01 0.00 -0.34 0.00 0.00 43.02 42.07 1wb9 s PHE 467 CO 0.28 -0.01 -0.17 1.21 -1.46 0.00 0.00 175.22 175.07 1wb9 s ASN 468 N -0.34 1.98 0.24 6.13 3.84 -0.72 -4.95 114.94 121.12 1wb9 s ASN 468 Ca 0.04 -0.31 0.00 0.00 0.21 0.00 0.00 52.86 52.80 1wb9 s ASN 468 Cb -0.04 -0.23 0.28 0.00 -0.55 0.00 0.00 41.25 40.70 1wb9 s ASN 468 CO -0.00 0.21 1.63 0.00 -2.79 0.00 0.00 177.10 176.14 1wb9 h ALA 469 N 5.74 0.93 0.01 1.71 0.00 -2.01 0.11 119.26 125.75 1wb9 h ALA 469 Ca -0.36 -0.42 -0.24 0.00 0.00 0.00 0.00 54.91 53.89 1wb9 h ALA 469 Cb 1.15 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.85 1wb9 h ALA 469 CO 0.48 0.62 -0.94 0.28 0.00 0.00 0.00 179.25 179.69 1wb9 h VAL 470 N 0.43 1.32 0.00 0.00 2.07 -2.05 -3.39 116.25 114.63 1wb9 h VAL 470 Ca 0.04 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.35 1wb9 h VAL 470 Cb 0.84 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1wb9 h VAL 470 CO 0.07 0.68 -0.79 1.41 0.02 0.00 0.00 177.57 178.96 1wb9 n HIS 471 N -3.94 0.00 -3.03 1.57 8.25 -1.23 -5.12 115.22 111.72 1wb9 n HIS 471 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1wb9 n HIS 471 Cb 0.84 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.90 1wb9 n HIS 471 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wb9 n GLY 472 N 1.38 -1.96 3.72 -1.41 0.00 0.40 -4.93 105.19 102.39 1wb9 n GLY 472 Ca 0.02 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 1wb9 n GLY 472 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wb9 s TYR 473 N 0.00 1.99 0.14 1.61 2.02 -1.26 -1.76 117.35 120.09 1wb9 s TYR 473 Ca 0.00 1.54 -0.22 0.00 -0.37 0.00 0.00 57.07 58.01 1wb9 s TYR 473 Cb 0.00 -3.64 0.06 0.00 -0.40 0.00 0.00 41.96 37.98 1wb9 s TYR 473 CO 0.00 -2.92 0.57 1.52 -1.57 0.00 0.00 175.55 173.15 1wb9 s TYR 474 N -1.60 -0.49 -0.23 2.71 -0.85 -0.42 -4.82 117.35 111.65 1wb9 s TYR 474 Ca 0.80 0.30 -0.07 0.00 -0.52 0.00 0.00 57.07 57.58 1wb9 s TYR 474 Cb -0.35 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.46 1wb9 s TYR 474 CO 0.43 -0.81 0.07 0.42 -1.52 0.00 0.00 175.55 174.14 1wb9 s ILE 475 N -3.61 4.46 -0.12 -3.49 1.01 0.94 -1.61 121.20 118.78 1wb9 s ILE 475 Ca 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1wb9 s ILE 475 Cb -0.01 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1wb9 s ILE 475 CO -0.12 0.37 0.07 -1.58 0.00 0.00 0.00 174.94 173.68 1wb9 s GLN 476 N 1.26 3.33 0.02 2.79 0.74 0.85 -0.32 119.66 128.32 1wb9 s GLN 476 Ca 0.05 -0.29 0.04 0.00 0.05 0.00 0.00 55.36 55.21 1wb9 s GLN 476 Cb -0.15 -3.02 -0.02 0.00 1.10 0.00 0.00 33.01 30.93 1wb9 s GLN 476 CO 0.04 0.66 -0.13 0.42 -0.55 0.00 0.00 175.29 175.73 1wb9 s ILE 477 N -0.73 0.99 0.77 -2.34 1.01 -0.29 -1.66 121.20 118.94 1wb9 s ILE 477 Ca 0.12 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 1wb9 s ILE 477 Cb -0.12 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.49 1wb9 s ILE 477 CO 0.03 0.11 0.82 -1.54 0.00 0.00 0.00 174.94 174.35 1wb9 n SER 478 N 2.31 -0.22 -0.23 3.58 3.41 -1.26 -0.92 113.62 120.29 1wb9 n SER 478 Ca -0.16 0.59 -0.06 0.00 -0.26 0.00 0.00 58.87 58.97 1wb9 n SER 478 Cb 0.55 -1.35 0.04 0.00 -0.26 0.00 0.00 64.21 63.20 1wb9 n SER 478 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wb9 h ARG 479 N -0.58 0.91 0.00 4.33 2.43 -1.38 0.89 114.38 120.98 1wb9 h ARG 479 Ca -0.46 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 58.58 1wb9 h ARG 479 Cb 1.33 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1wb9 h ARG 479 CO 0.44 0.70 -0.06 0.78 -1.51 0.00 0.00 179.97 180.32 1wb9 h GLY 480 N 0.88 0.00 0.20 2.80 0.00 -1.91 -2.62 103.07 102.42 1wb9 h GLY 480 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1wb9 h GLY 480 CO -0.03 0.00 -1.14 -1.06 0.00 0.00 0.00 176.54 174.31 1wb9 n GLN 481 N -4.17 0.18 0.11 4.80 6.02 -0.96 -4.63 117.38 118.72 1wb9 n GLN 481 Ca -0.03 -0.04 0.05 0.00 -0.01 0.00 0.00 57.00 56.98 1wb9 n GLN 481 Cb 0.15 -1.52 0.48 0.00 1.02 0.00 0.00 30.24 30.37 1wb9 n GLN 481 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wb9 h SER 482 N 0.00 0.27 0.22 1.08 4.64 -0.43 -1.07 113.55 118.26 1wb9 h SER 482 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1wb9 h SER 482 Cb 0.63 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1wb9 h SER 482 CO 0.00 0.24 0.00 0.00 -0.87 0.00 0.00 176.83 176.20 1wb9 n HIS 483 N -4.45 0.20 0.96 4.77 1.44 -1.26 -2.11 115.22 114.77 1wb9 n HIS 483 Ca 0.00 0.09 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 1wb9 n HIS 483 Cb 0.11 -0.65 0.22 0.00 0.12 0.00 0.00 29.99 29.79 1wb9 n HIS 483 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1wb9 n LEU 484 N -1.70 2.74 -4.76 2.39 4.77 -0.40 -5.01 117.00 115.04 1wb9 n LEU 484 Ca 0.01 -1.00 -0.34 0.00 -0.03 0.00 0.00 56.01 54.66 1wb9 n LEU 484 Cb 0.08 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1wb9 n LEU 484 CO 0.07 0.50 0.77 0.00 -1.33 0.00 0.00 177.39 177.40 1wb9 s ALA 485 N -1.88 2.40 0.58 -1.18 0.00 -0.90 -4.95 121.76 115.84 1wb9 s ALA 485 Ca 0.32 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 52.77 1wb9 s ALA 485 Cb 0.21 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1wb9 s ALA 485 CO 0.31 -1.38 1.18 -2.30 0.00 0.00 0.00 175.76 173.57 1wb9 n PRO 486 N -2.33 1.27 0.20 0.00 -0.02 -1.26 -4.89 135.00 127.97 1wb9 n PRO 486 Ca 0.11 0.48 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 1wb9 n PRO 486 Cb 0.51 -2.38 0.40 0.00 -0.02 0.00 0.00 33.50 32.01 1wb9 n PRO 486 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1wb9 h ILE 487 N 0.93 0.72 -0.44 4.25 1.08 -2.00 -2.12 117.51 119.94 1wb9 h ILE 487 Ca -0.49 -1.32 0.13 0.00 -0.39 0.00 0.00 64.86 62.79 1wb9 h ILE 487 Cb 1.34 1.84 -0.02 0.00 -3.07 0.00 0.00 36.82 36.91 1wb9 h ILE 487 CO 0.54 0.29 0.35 -1.13 -0.69 0.00 0.00 178.15 177.51 1wb9 h ASN 488 N 0.00 0.00 -2.96 1.72 -0.00 -2.00 -3.44 115.58 108.90 1wb9 h ASN 488 Ca -0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 55.73 1wb9 h ASN 488 Cb 0.82 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.10 1wb9 h ASN 488 CO 0.04 0.00 0.91 -0.31 -0.00 0.00 0.00 177.43 178.06 1wb9 s TYR 489 N -4.90 2.87 -0.23 0.67 1.51 -0.80 -4.85 117.35 111.62 1wb9 s TYR 489 Ca -0.05 1.03 -0.15 0.00 -1.01 0.00 0.00 57.07 56.89 1wb9 s TYR 489 Cb 0.18 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.44 1wb9 s TYR 489 CO 0.67 -1.59 0.35 -1.64 -1.11 0.00 0.00 175.55 172.23 1wb9 s MET 490 N 3.58 4.10 0.15 -0.62 -1.94 -0.27 -4.89 119.30 119.41 1wb9 s MET 490 Ca 0.54 0.06 -0.31 0.00 -1.71 0.00 0.00 55.69 54.27 1wb9 s MET 490 Cb -0.20 -3.58 -0.09 0.00 2.01 0.00 0.00 34.83 32.97 1wb9 s MET 490 CO 0.15 -0.10 1.50 0.50 -0.01 0.00 0.00 175.02 177.06 1wb9 s ARG 491 N 1.52 4.25 -0.07 2.03 3.52 -1.26 -0.15 118.95 128.79 1wb9 s ARG 491 Ca 0.16 2.26 -0.04 0.00 -0.13 0.00 0.00 55.73 57.97 1wb9 s ARG 491 Cb -0.15 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1wb9 s ARG 491 CO 0.08 -0.54 -0.10 -2.13 -0.81 0.00 0.00 175.30 171.80 1wb9 n ARG 492 N 3.96 0.16 -3.71 5.12 0.63 0.14 -4.84 116.66 118.12 1wb9 n ARG 492 Ca 0.13 0.07 -0.12 0.00 -0.92 0.00 0.00 57.85 57.01 1wb9 n ARG 492 Cb 0.40 -0.76 -0.12 0.00 0.45 0.00 0.00 32.46 32.42 1wb9 n ARG 492 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1wb9 s GLN 493 N -2.14 0.26 -0.13 -0.14 0.74 -0.93 -5.03 119.66 112.29 1wb9 s GLN 493 Ca -0.10 0.64 -0.06 0.00 0.05 0.00 0.00 55.36 55.89 1wb9 s GLN 493 Cb 0.04 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.03 1wb9 s GLN 493 CO 0.13 -0.17 0.08 0.99 -0.55 0.00 0.00 175.29 175.76 1wb9 s THR 494 N 1.42 4.95 0.44 -0.34 2.01 -1.26 -0.25 115.64 122.61 1wb9 s THR 494 Ca -0.08 0.01 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1wb9 s THR 494 Cb -0.10 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1wb9 s THR 494 CO -0.10 0.56 0.04 -0.76 -0.69 0.00 0.00 174.62 173.67 1wb9 s LEU 495 N -0.50 2.33 0.27 4.42 1.02 -0.48 -5.01 118.68 120.73 1wb9 s LEU 495 Ca 0.11 -1.56 -0.02 0.00 0.02 0.00 0.00 54.13 52.68 1wb9 s LEU 495 Cb -0.12 -0.56 0.42 0.00 0.02 0.00 0.00 46.19 45.95 1wb9 s LEU 495 CO 0.02 -0.75 1.89 0.50 0.02 0.00 0.00 176.35 178.03 1wb9 h LYS 496 N 1.66 1.13 0.00 1.70 3.64 -2.04 -3.29 116.57 119.37 1wb9 h LYS 496 Ca -0.41 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1wb9 h LYS 496 Cb 1.28 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1wb9 h LYS 496 CO 0.71 0.75 -0.24 0.09 -2.27 0.00 0.00 179.45 178.48 1wb9 n ASN 497 N -4.49 0.83 -3.63 4.20 5.03 -1.26 -4.97 115.26 110.97 1wb9 n ASN 497 Ca 0.15 -2.16 -0.14 0.00 0.87 0.00 0.00 54.58 53.31 1wb9 n ASN 497 Cb 0.18 -0.22 -0.06 0.00 -1.02 0.00 0.00 39.78 38.66 1wb9 n ASN 497 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wb9 s ALA 498 N -0.89 -1.17 -0.03 5.41 0.00 -1.24 -1.01 121.76 122.84 1wb9 s ALA 498 Ca 0.09 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.61 1wb9 s ALA 498 Cb 0.08 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1wb9 s ALA 498 CO 0.01 -0.45 -0.19 -2.00 0.00 0.00 0.00 175.76 173.13 1wb9 s GLU 499 N -2.24 1.74 -0.04 0.00 2.56 -0.10 -1.38 118.70 119.24 1wb9 s GLU 499 Ca -0.07 -0.68 0.07 0.00 0.00 0.00 0.00 54.97 54.29 1wb9 s GLU 499 Cb -0.01 -1.59 -0.01 0.00 2.00 0.00 0.00 34.13 34.51 1wb9 s GLU 499 CO -0.00 0.35 -0.25 1.03 -0.56 0.00 0.00 175.26 175.83 1wb9 s ARG 500 N -0.25 2.36 0.26 4.30 0.52 0.65 -1.14 118.95 125.65 1wb9 s ARG 500 Ca 0.02 -0.91 0.05 0.00 -0.52 0.00 0.00 55.73 54.37 1wb9 s ARG 500 Cb -0.09 -2.10 -0.06 0.00 0.52 0.00 0.00 34.95 33.22 1wb9 s ARG 500 CO 0.01 0.45 -0.01 0.71 0.02 0.00 0.00 175.30 176.47 1wb9 s TYR 501 N -0.33 1.75 0.05 -0.53 2.02 0.57 -0.68 117.35 120.20 1wb9 s TYR 501 Ca 0.02 -0.86 0.05 0.00 -0.37 0.00 0.00 57.07 55.90 1wb9 s TYR 501 Cb -0.12 -1.03 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1wb9 s TYR 501 CO 0.02 0.07 -0.13 -1.50 -1.57 0.00 0.00 175.55 172.44 1wb9 s ILE 502 N -3.27 1.01 0.16 2.71 1.10 0.79 -0.04 121.20 123.66 1wb9 s ILE 502 Ca 0.30 -1.13 0.06 0.00 -0.51 0.00 0.00 60.65 59.37 1wb9 s ILE 502 Cb 0.06 -0.96 -0.04 0.00 0.15 0.00 0.00 42.46 41.66 1wb9 s ILE 502 CO 0.11 -0.15 -0.12 0.27 -2.11 0.00 0.00 174.94 172.94 1wb9 s ILE 503 N -1.09 1.38 0.30 2.00 -4.36 -1.26 -1.12 121.20 117.05 1wb9 s ILE 503 Ca -0.02 -2.08 0.06 0.00 -0.26 0.00 0.00 60.65 58.36 1wb9 s ILE 503 Cb -0.09 -1.88 0.29 0.00 1.25 0.00 0.00 42.46 42.04 1wb9 s ILE 503 CO 0.02 -0.66 1.74 -0.65 0.24 0.00 0.00 174.94 175.62 1wb9 h PRO 504 N 2.78 0.58 -0.35 0.37 0.11 -1.99 -1.73 132.00 131.77 1wb9 h PRO 504 Ca -0.37 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1wb9 h PRO 504 Cb 1.20 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1wb9 h PRO 504 CO 0.62 0.39 0.22 1.49 -0.21 0.00 0.00 178.00 180.50 1wb9 h GLU 505 N 0.60 0.48 -0.14 1.05 4.81 -1.99 -1.56 114.58 117.82 1wb9 h GLU 505 Ca 0.59 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.64 1wb9 h GLU 505 Cb 1.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1wb9 h GLU 505 CO -0.45 0.36 -0.50 1.25 -0.73 0.00 0.00 179.01 178.93 1wb9 h LEU 506 N 0.46 0.42 -0.42 1.64 5.85 -1.86 -2.43 115.31 118.98 1wb9 h LEU 506 Ca 0.13 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1wb9 h LEU 506 Cb -0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1wb9 h LEU 506 CO -0.02 0.85 -0.07 0.50 -0.34 0.00 0.00 178.44 179.35 1wb9 h LYS 507 N 0.31 0.79 -0.11 1.25 1.63 -1.09 0.95 116.57 120.30 1wb9 h LYS 507 Ca 0.01 -0.29 0.02 0.00 -0.85 0.00 0.00 60.65 59.54 1wb9 h LYS 507 Cb 0.99 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 1wb9 h LYS 507 CO 0.09 0.90 0.01 1.49 -3.45 0.00 0.00 179.45 178.48 1wb9 h GLU 508 N 0.61 0.05 -0.48 1.90 4.81 -1.27 -0.85 114.58 119.35 1wb9 h GLU 508 Ca 0.11 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1wb9 h GLU 508 Cb 0.59 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1wb9 h GLU 508 CO 0.04 0.03 0.21 -0.92 -0.73 0.00 0.00 179.01 177.64 1wb9 h TYR 509 N 0.05 0.68 -0.12 0.92 3.20 -1.15 -1.91 116.97 118.64 1wb9 h TYR 509 Ca 0.05 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1wb9 h TYR 509 Cb 0.05 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1wb9 h TYR 509 CO -0.13 0.52 0.07 1.49 -1.64 0.00 0.00 178.16 178.47 1wb9 h GLU 510 N 0.68 0.17 -0.66 1.82 4.81 -0.41 -2.08 114.58 118.91 1wb9 h GLU 510 Ca 0.17 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1wb9 h GLU 510 Cb 0.11 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1wb9 h GLU 510 CO -0.02 0.17 0.32 -0.44 -0.73 0.00 0.00 179.01 178.31 1wb9 h ASP 511 N 0.12 0.84 0.86 1.04 3.32 -0.51 -2.09 116.42 120.01 1wb9 h ASP 511 Ca 0.04 -0.09 -0.23 0.00 0.02 0.00 0.00 57.03 56.78 1wb9 h ASP 511 Cb 0.05 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1wb9 h ASP 511 CO -0.01 0.71 -1.19 0.07 -1.72 0.00 0.00 179.24 177.10 1wb9 h LYS 512 N 0.93 0.01 -0.10 3.56 2.10 -1.35 -1.92 116.57 119.80 1wb9 h LYS 512 Ca 0.23 -0.01 -0.18 0.00 -2.00 0.00 0.00 60.65 58.69 1wb9 h LYS 512 Cb 0.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 1wb9 h LYS 512 CO -0.03 0.88 -0.69 0.28 -2.00 0.00 0.00 179.45 177.89 1wb9 h VAL 513 N 0.00 1.37 0.15 0.07 2.07 -1.23 -1.43 116.25 117.25 1wb9 h VAL 513 Ca -0.08 -2.06 -0.21 0.00 0.82 0.00 0.00 66.70 65.16 1wb9 h VAL 513 Cb 1.84 2.04 0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1wb9 h VAL 513 CO 0.12 0.62 -0.94 -0.07 0.02 0.00 0.00 177.57 177.32 1wb9 h LEU 514 N 0.30 0.48 -0.40 2.57 3.38 -1.46 -1.49 115.31 118.70 1wb9 h LEU 514 Ca -0.02 -0.94 0.08 0.00 0.09 0.00 0.00 57.88 57.08 1wb9 h LEU 514 Cb 1.25 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1wb9 h LEU 514 CO 0.12 1.44 -0.03 0.74 0.09 0.00 0.00 178.44 180.81 1wb9 h THR 515 N -0.33 0.67 0.00 0.22 2.02 -1.43 -1.97 112.91 112.10 1wb9 h THR 515 Ca -0.17 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1wb9 h THR 515 Cb 1.70 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1wb9 h THR 515 CO 0.15 0.01 -0.31 0.77 0.37 0.00 0.00 175.52 176.51 1wb9 h SER 516 N 0.07 0.00 -0.11 4.18 4.64 -1.31 -1.52 113.55 119.51 1wb9 h SER 516 Ca 0.19 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.41 1wb9 h SER 516 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1wb9 h SER 516 CO -0.35 0.31 -0.34 0.50 -0.87 0.00 0.00 176.83 176.08 1wb9 h LYS 517 N 0.00 0.42 -0.88 4.77 1.63 -0.97 -1.55 116.57 119.99 1wb9 h LYS 517 Ca -0.00 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.46 1wb9 h LYS 517 Cb 0.80 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.44 1wb9 h LYS 517 CO 0.04 0.93 0.45 0.78 -3.45 0.00 0.00 179.45 178.20 1wb9 h GLY 518 N -0.01 1.34 0.91 5.01 0.00 -1.23 -1.57 103.07 107.51 1wb9 h GLY 518 Ca -0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1wb9 h GLY 518 CO 0.07 0.61 0.03 0.50 0.00 0.00 0.00 176.54 177.75 1wb9 h LYS 519 N 1.24 0.60 -0.13 4.80 1.79 -1.28 -2.02 116.57 121.56 1wb9 h LYS 519 Ca 0.30 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.52 1wb9 h LYS 519 Cb 0.08 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1wb9 h LYS 519 CO -0.04 0.70 -0.25 0.00 -1.08 0.00 0.00 179.45 178.77 1wb9 h ALA 520 N 0.88 1.33 -0.05 3.86 0.00 -1.06 -1.90 119.26 122.33 1wb9 h ALA 520 Ca 0.10 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1wb9 h ALA 520 Cb 0.41 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wb9 h ALA 520 CO 0.01 0.46 -0.32 1.25 0.00 0.00 0.00 179.25 180.65 1wb9 h LEU 521 N 0.21 0.36 -0.91 0.00 5.85 -1.17 -2.09 115.31 117.57 1wb9 h LEU 521 Ca 0.03 -0.68 -0.05 0.00 0.84 0.00 0.00 57.88 58.02 1wb9 h LEU 521 Cb 0.57 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1wb9 h LEU 521 CO 0.04 0.99 0.26 0.00 -0.34 0.00 0.00 178.44 179.39 1wb9 h ALA 522 N 0.38 1.13 -0.43 1.25 0.00 -1.28 -2.00 119.26 118.31 1wb9 h ALA 522 Ca -0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1wb9 h ALA 522 Cb 1.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1wb9 h ALA 522 CO 0.07 0.61 -0.15 1.25 0.00 0.00 0.00 179.25 181.03 1wb9 h LEU 523 N 1.03 0.81 -0.48 0.00 5.85 -1.34 -2.16 115.31 119.02 1wb9 h LEU 523 Ca 0.23 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1wb9 h LEU 523 Cb 0.23 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1wb9 h LEU 523 CO -0.02 0.96 0.27 -0.33 -0.34 0.00 0.00 178.44 178.98 1wb9 h GLU 524 N 0.72 0.67 -0.72 1.25 5.08 -0.94 -1.19 114.58 119.44 1wb9 h GLU 524 Ca 0.11 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1wb9 h GLU 524 Cb 0.65 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1wb9 h GLU 524 CO 0.05 0.52 0.22 0.87 -1.00 0.00 0.00 179.01 179.67 1wb9 h LYS 525 N 0.63 1.12 -0.23 2.33 1.57 -1.23 0.83 116.57 121.59 1wb9 h LYS 525 Ca 0.17 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1wb9 h LYS 525 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1wb9 h LYS 525 CO -0.03 0.96 0.06 0.37 -0.57 0.00 0.00 179.45 180.23 1wb9 h GLN 526 N 1.08 0.37 -0.17 3.15 4.15 -1.17 -1.09 115.11 121.42 1wb9 h GLN 526 Ca 0.23 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 1wb9 h GLN 526 Cb 0.31 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1wb9 h GLN 526 CO -0.01 0.48 -0.17 -0.07 -1.93 0.00 0.00 178.83 177.13 1wb9 h LEU 527 N 0.19 0.28 -0.17 -2.39 3.38 -0.98 -0.40 115.31 115.23 1wb9 h LEU 527 Ca 0.07 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1wb9 h LEU 527 Cb 0.28 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1wb9 h LEU 527 CO 0.00 0.48 -0.28 0.22 0.09 0.00 0.00 178.44 178.95 1wb9 h TYR 528 N 0.27 0.61 -0.63 1.13 3.20 -0.65 -1.86 116.97 119.03 1wb9 h TYR 528 Ca 0.05 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 1wb9 h TYR 528 Cb 0.47 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1wb9 h TYR 528 CO 0.01 0.92 0.34 0.93 -1.64 0.00 0.00 178.16 178.72 1wb9 h GLU 529 N 0.12 0.87 -0.04 1.82 4.39 -1.12 -2.14 114.58 118.47 1wb9 h GLU 529 Ca 0.01 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1wb9 h GLU 529 Cb 0.87 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1wb9 h GLU 529 CO 0.06 0.64 -0.14 1.49 -1.16 0.00 0.00 179.01 179.90 1wb9 h GLU 530 N 0.87 0.07 -0.50 2.33 4.81 -0.76 -2.02 114.58 119.39 1wb9 h GLU 530 Ca 0.22 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1wb9 h GLU 530 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1wb9 h GLU 530 CO -0.04 0.21 0.22 -0.07 -0.73 0.00 0.00 179.01 178.61 1wb9 h LEU 531 N 0.06 0.63 -0.49 1.64 3.38 -0.65 -2.36 115.31 117.53 1wb9 h LEU 531 Ca 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wb9 h LEU 531 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1wb9 h LEU 531 CO 0.02 0.55 0.31 -0.26 0.09 0.00 0.00 178.44 179.16 1wb9 h PHE 532 N 0.70 0.63 -0.16 1.13 0.04 -1.36 -1.12 116.94 116.80 1wb9 h PHE 532 Ca 0.17 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 1wb9 h PHE 532 Cb 0.10 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1wb9 h PHE 532 CO 0.01 0.41 0.08 -0.44 -0.60 0.00 0.00 178.31 177.76 1wb9 h ASP 533 N 0.66 0.19 0.67 2.17 3.32 -1.34 0.16 116.42 122.25 1wb9 h ASP 533 Ca 0.18 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.96 1wb9 h ASP 533 Cb -0.05 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1wb9 h ASP 533 CO -0.04 0.17 -1.46 -0.07 -1.72 0.00 0.00 179.24 176.12 1wb9 h LEU 534 N 0.22 0.00 0.09 1.55 3.38 -1.23 -3.37 115.31 115.96 1wb9 h LEU 534 Ca 0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1wb9 h LEU 534 Cb 0.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.80 1wb9 h LEU 534 CO -0.01 0.95 -0.72 -0.07 0.09 0.00 0.00 178.44 178.68 1wb9 h LEU 535 N 0.00 0.47 -1.24 1.67 3.38 -0.75 -3.40 115.31 115.43 1wb9 h LEU 535 Ca -0.20 -0.89 0.03 0.00 0.09 0.00 0.00 57.88 56.91 1wb9 h LEU 535 Cb 1.89 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 1wb9 h LEU 535 CO 0.09 1.32 0.52 -0.07 0.09 0.00 0.00 178.44 180.40 1wb9 h LEU 536 N -0.31 0.85 -1.79 1.67 3.38 -0.85 -0.54 115.31 117.73 1wb9 h LEU 536 Ca -0.12 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1wb9 h LEU 536 Cb 1.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1wb9 h LEU 536 CO 0.14 0.59 0.45 -0.65 0.09 0.00 0.00 178.44 179.06 1wb9 h PRO 537 N 0.99 0.00 -0.57 1.13 0.11 -1.78 -0.48 132.00 131.40 1wb9 h PRO 537 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1wb9 h PRO 537 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1wb9 h PRO 537 CO -0.09 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.42 1wb9 n HIS 538 N -3.10 0.76 -0.24 0.65 8.25 -0.21 -4.65 115.22 116.67 1wb9 n HIS 538 Ca 0.02 -0.38 0.01 0.00 -0.26 0.00 0.00 57.72 57.11 1wb9 n HIS 538 Cb 0.54 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.78 1wb9 n HIS 538 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1wb9 h LEU 539 N 4.29 0.48 -0.47 2.41 5.85 -1.18 -0.96 115.31 125.73 1wb9 h LEU 539 Ca 0.00 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1wb9 h LEU 539 Cb 0.96 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1wb9 h LEU 539 CO 0.00 0.28 0.24 -0.08 -0.34 0.00 0.00 178.44 178.54 1wb9 h GLU 540 N 0.62 0.45 -0.09 1.25 4.81 -1.83 0.12 114.58 119.91 1wb9 h GLU 540 Ca 0.34 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.37 1wb9 h GLU 540 Cb 0.33 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1wb9 h GLU 540 CO -0.25 0.30 -0.68 0.00 -0.73 0.00 0.00 179.01 177.65 1wb9 h ALA 541 N 1.26 0.66 -0.40 2.92 0.00 -1.78 -2.00 119.26 119.91 1wb9 h ALA 541 Ca 0.21 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wb9 h ALA 541 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wb9 h ALA 541 CO -0.15 0.74 0.27 -0.07 0.00 0.00 0.00 179.25 180.04 1wb9 h LEU 542 N 0.28 0.46 -0.81 0.00 3.38 -0.67 -0.03 115.31 117.92 1wb9 h LEU 542 Ca -0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1wb9 h LEU 542 Cb 1.23 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1wb9 h LEU 542 CO 0.12 0.33 0.09 1.56 0.09 0.00 0.00 178.44 180.62 1wb9 h GLN 543 N 0.54 0.98 -0.07 1.13 4.20 -0.55 -1.59 115.11 119.74 1wb9 h GLN 543 Ca 0.15 -0.25 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 1wb9 h GLN 543 Cb -0.06 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1wb9 h GLN 543 CO -0.04 0.91 -0.48 1.96 -0.67 0.00 0.00 178.83 180.52 1wb9 h GLN 544 N 0.92 0.18 0.16 1.46 1.08 -1.17 -1.71 115.11 116.04 1wb9 h GLN 544 Ca 0.18 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1wb9 h GLN 544 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1wb9 h GLN 544 CO 0.01 0.62 -0.08 1.03 -0.95 0.00 0.00 178.83 179.47 1wb9 h SER 545 N 0.14 -0.18 -1.00 1.46 0.87 -0.39 -1.08 113.55 113.37 1wb9 h SER 545 Ca 0.01 -0.17 0.10 0.00 -1.23 0.00 0.00 61.79 60.49 1wb9 h SER 545 Cb 0.90 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.84 1wb9 h SER 545 CO 0.07 0.07 0.64 0.00 -0.53 0.00 0.00 176.83 177.08 1wb9 h ALA 546 N 0.36 1.47 -0.46 6.23 0.00 -1.13 0.13 119.26 125.87 1wb9 h ALA 546 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1wb9 h ALA 546 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wb9 h ALA 546 CO 0.04 0.32 -0.19 1.03 0.00 0.00 0.00 179.25 180.45 1wb9 h SER 547 N 1.07 0.92 -0.54 0.00 0.87 -1.13 0.40 113.55 115.15 1wb9 h SER 547 Ca 0.47 -0.33 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 1wb9 h SER 547 Cb 0.34 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1wb9 h SER 547 CO -0.22 1.08 -0.07 0.00 -0.53 0.00 0.00 176.83 177.10 1wb9 h ALA 548 N 0.98 0.83 -0.68 6.23 0.00 -0.57 -1.20 119.26 124.85 1wb9 h ALA 548 Ca 0.11 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1wb9 h ALA 548 Cb 0.74 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1wb9 h ALA 548 CO 0.06 0.66 0.16 -0.07 0.00 0.00 0.00 179.25 180.06 1wb9 h LEU 549 N 0.91 1.04 -0.44 0.00 3.38 -0.67 0.28 115.31 119.81 1wb9 h LEU 549 Ca 0.15 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1wb9 h LEU 549 Cb 0.62 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1wb9 h LEU 549 CO 0.04 1.01 -0.07 0.00 0.09 0.00 0.00 178.44 179.51 1wb9 h ALA 550 N 1.07 0.61 -0.35 1.53 0.00 -0.73 -1.61 119.26 119.78 1wb9 h ALA 550 Ca 0.21 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1wb9 h ALA 550 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wb9 h ALA 550 CO 0.00 0.47 -0.14 1.49 0.00 0.00 0.00 179.25 181.07 1wb9 h GLU 551 N 0.67 0.72 -0.41 0.00 4.81 -1.01 -1.76 114.58 117.60 1wb9 h GLU 551 Ca 0.12 -0.30 0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1wb9 h GLU 551 Cb 0.60 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 1wb9 h GLU 551 CO 0.04 0.90 -0.02 -0.07 -0.73 0.00 0.00 179.01 179.13 1wb9 h LEU 552 N 0.50 -0.20 -0.41 1.64 3.38 -0.84 -0.64 115.31 118.73 1wb9 h LEU 552 Ca 0.08 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1wb9 h LEU 552 Cb 0.67 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1wb9 h LEU 552 CO 0.05 -0.06 0.13 -0.78 0.09 0.00 0.00 178.44 177.86 1wb9 h ASP 553 N 0.09 0.11 -0.47 -0.43 3.58 -1.13 0.13 116.42 118.30 1wb9 h ASP 553 Ca 0.20 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.71 1wb9 h ASP 553 Cb 0.29 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1wb9 h ASP 553 CO -0.35 0.10 0.31 0.58 -2.88 0.00 0.00 179.24 176.99 1wb9 h VAL 554 N 0.28 1.11 -0.10 2.25 2.07 -0.65 -1.44 116.25 119.77 1wb9 h VAL 554 Ca 0.20 -0.22 -0.21 0.00 0.82 0.00 0.00 66.70 67.29 1wb9 h VAL 554 Cb 0.20 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1wb9 h VAL 554 CO -0.22 0.11 -0.75 -0.07 0.02 0.00 0.00 177.57 176.67 1wb9 h LEU 555 N 0.63 0.82 -0.62 2.57 3.38 -0.70 0.16 115.31 121.55 1wb9 h LEU 555 Ca 0.18 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1wb9 h LEU 555 Cb -0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1wb9 h LEU 555 CO -0.05 1.36 0.40 0.58 0.09 0.00 0.00 178.44 180.83 1wb9 h VAL 556 N 0.34 1.16 -0.24 1.22 2.07 -0.74 0.38 116.25 120.45 1wb9 h VAL 556 Ca -0.07 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1wb9 h VAL 556 Cb 1.39 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1wb9 h VAL 556 CO 0.15 0.16 -0.05 -1.13 0.02 0.00 0.00 177.57 176.72 1wb9 h ASN 557 N 0.84 -0.20 0.24 0.57 -1.24 -1.14 -1.35 115.58 113.30 1wb9 h ASN 557 Ca 0.23 0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.24 1wb9 h ASN 557 Cb -0.08 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1wb9 h ASN 557 CO -0.05 -0.07 -0.29 -0.07 -1.29 0.00 0.00 177.43 175.67 1wb9 h LEU 558 N 0.02 0.08 -0.18 0.34 3.38 -0.34 0.65 115.31 119.27 1wb9 h LEU 558 Ca 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wb9 h LEU 558 Cb 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1wb9 h LEU 558 CO -0.24 0.37 0.01 0.00 0.09 0.00 0.00 178.44 178.68 1wb9 h ALA 559 N 1.64 0.23 -0.67 1.53 0.00 -0.72 -0.79 119.26 120.48 1wb9 h ALA 559 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1wb9 h ALA 559 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1wb9 h ALA 559 CO 0.04 -0.08 0.37 1.49 0.00 0.00 0.00 179.25 181.07 1wb9 h GLU 560 N 0.07 0.94 -0.42 0.00 4.22 -0.61 -2.29 114.58 116.49 1wb9 h GLU 560 Ca 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 1wb9 h GLU 560 Cb 0.35 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1wb9 h GLU 560 CO 0.01 0.71 0.19 0.00 -2.18 0.00 0.00 179.01 177.73 1wb9 h ARG 561 N 0.92 0.61 -0.59 1.92 2.47 -0.85 0.55 114.38 119.42 1wb9 h ARG 561 Ca 0.24 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1wb9 h ARG 561 Cb 0.04 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 1wb9 h ARG 561 CO -0.04 0.54 0.37 0.00 0.56 0.00 0.00 179.97 181.41 1wb9 h ALA 562 N 1.04 1.55 0.20 0.04 0.00 -1.00 -0.54 119.26 120.54 1wb9 h ALA 562 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wb9 h ALA 562 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wb9 h ALA 562 CO -0.02 0.40 -0.09 -0.92 0.00 0.00 0.00 179.25 178.62 1wb9 h TYR 563 N 0.80 -0.24 -0.14 0.00 3.20 -1.18 -0.53 116.97 118.88 1wb9 h TYR 563 Ca 0.21 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 1wb9 h TYR 563 Cb -0.06 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1wb9 h TYR 563 CO 0.00 0.15 -0.31 1.15 -1.64 0.00 0.00 178.16 177.51 1wb9 h THR 564 N -0.90 1.27 -0.26 1.81 2.02 -0.62 -2.95 112.91 113.27 1wb9 h THR 564 Ca -0.03 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1wb9 h THR 564 Cb 0.50 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1wb9 h THR 564 CO 0.04 0.38 0.00 0.18 0.37 0.00 0.00 175.52 176.50 1wb9 n LEU 565 N -4.11 3.24 -2.94 2.58 4.77 -0.24 -4.99 117.00 115.31 1wb9 n LEU 565 Ca -0.01 -1.29 -0.09 0.00 -0.03 0.00 0.00 56.01 54.59 1wb9 n LEU 565 Cb 0.41 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1wb9 n LEU 565 CO 0.41 0.64 0.10 -3.20 -1.33 0.00 0.00 177.39 174.01 1wb9 n ASN 566 N 1.40 -6.22 -4.92 -1.43 5.15 -1.12 -5.00 115.26 103.11 1wb9 n ASN 566 Ca 0.18 -0.45 -0.20 0.00 -0.60 0.00 0.00 54.58 53.51 1wb9 n ASN 566 Cb 0.60 -4.54 -0.02 0.00 -0.53 0.00 0.00 39.78 35.28 1wb9 n ASN 566 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1wb9 s TYR 567 N -3.24 3.00 0.13 1.20 2.02 -0.22 -4.53 117.35 115.71 1wb9 s TYR 567 Ca 0.28 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.75 1wb9 s TYR 567 Cb -0.04 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 1wb9 s TYR 567 CO 0.63 0.06 -0.11 -0.08 -1.57 0.00 0.00 175.55 174.49 1wb9 s THR 568 N -2.25 1.15 -0.14 -0.71 -1.32 -0.53 -4.79 115.64 107.06 1wb9 s THR 568 Ca 0.43 -1.93 -0.28 0.00 -1.21 0.00 0.00 61.69 58.70 1wb9 s THR 568 Cb -0.08 -1.71 -0.01 0.00 -1.51 0.00 0.00 72.50 69.20 1wb9 s THR 568 CO 0.29 -0.66 0.97 0.00 -2.21 0.00 0.00 174.62 173.01 1wb9 s PRO 570 N 2.22 3.75 0.25 0.00 0.04 -1.26 -4.65 135.00 135.35 1wb9 s PRO 570 Ca 0.45 0.82 0.10 0.00 0.04 0.00 0.00 61.00 62.41 1wb9 s PRO 570 Cb -0.17 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1wb9 s PRO 570 CO 0.15 -0.42 -0.11 0.95 0.04 0.00 0.00 177.00 177.61 1wb9 s THR 571 N -2.91 2.99 -0.05 1.26 -4.23 -0.37 -5.02 115.64 107.31 1wb9 s THR 571 Ca 0.56 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1wb9 s THR 571 Cb -0.10 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 1wb9 s THR 571 CO 0.43 -0.30 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.79 1wb9 s PHE 572 N -2.19 2.96 0.37 3.99 0.08 -1.26 -1.40 117.98 120.53 1wb9 s PHE 572 Ca 0.29 0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.45 1wb9 s PHE 572 Cb -0.07 -1.70 -0.06 0.00 -0.57 0.00 0.00 43.02 40.63 1wb9 s PHE 572 CO 0.16 0.36 0.07 0.96 -0.10 0.00 0.00 175.22 176.68 1wb9 s ILE 573 N -0.87 2.44 0.15 0.64 -4.36 -0.82 -4.89 121.20 113.49 1wb9 s ILE 573 Ca 0.14 -1.87 -0.07 0.00 -0.26 0.00 0.00 60.65 58.58 1wb9 s ILE 573 Cb -0.11 -2.90 -0.10 0.00 1.25 0.00 0.00 42.46 40.60 1wb9 s ILE 573 CO 0.03 -0.10 1.42 0.44 0.24 0.00 0.00 174.94 176.96 1wb9 h ASP 574 N 1.67 0.77 -2.09 4.36 3.32 -1.98 -3.37 116.42 119.10 1wb9 h ASP 574 Ca -0.43 -0.45 -0.56 0.00 0.02 0.00 0.00 57.03 55.61 1wb9 h ASP 574 Cb 1.25 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.48 1wb9 h ASP 574 CO 0.70 1.22 -0.61 -0.54 -1.72 0.00 0.00 179.24 178.28 1wb9 s LYS 575 N -3.90 2.30 0.44 3.56 1.02 -1.26 -4.69 119.74 117.21 1wb9 s LYS 575 Ca -0.09 -1.48 -0.25 0.00 0.02 0.00 0.00 55.97 54.17 1wb9 s LYS 575 Cb 0.10 -2.15 -0.09 0.00 -0.52 0.00 0.00 37.83 35.17 1wb9 s LYS 575 CO 0.87 0.28 1.31 -2.30 -0.92 0.00 0.00 175.35 174.59 1wb9 n PRO 576 N -0.97 2.00 0.00 -1.68 -0.02 -1.26 -4.03 135.00 129.03 1wb9 n PRO 576 Ca -0.05 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1wb9 n PRO 576 Cb 0.60 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1wb9 n PRO 576 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wb9 n GLY 577 N 0.75 2.85 2.74 -1.23 0.00 -1.26 -3.96 105.19 105.08 1wb9 n GLY 577 Ca 0.06 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 1wb9 n GLY 577 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wb9 s ILE 578 N -2.00 -0.22 -0.30 -0.61 1.01 -0.27 -0.76 121.20 118.04 1wb9 s ILE 578 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 1wb9 s ILE 578 Cb 0.00 -0.45 0.06 0.00 0.01 0.00 0.00 42.46 42.07 1wb9 s ILE 578 CO 0.00 -0.05 0.00 -0.13 0.00 0.00 0.00 174.94 174.76 1wb9 s ARG 579 N 2.25 2.37 -0.15 2.79 0.52 0.36 -1.23 118.95 125.85 1wb9 s ARG 579 Ca 0.04 -1.32 -0.02 0.00 -0.52 0.00 0.00 55.73 53.91 1wb9 s ARG 579 Cb -0.14 -3.18 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 1wb9 s ARG 579 CO -0.08 -0.65 -0.08 0.42 0.02 0.00 0.00 175.30 174.93 1wb9 s ILE 580 N 1.22 3.48 -0.19 1.52 1.01 -0.34 -1.16 121.20 126.73 1wb9 s ILE 580 Ca -0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1wb9 s ILE 580 Cb -0.20 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 1wb9 s ILE 580 CO -0.02 0.50 -0.00 -0.89 0.00 0.00 0.00 174.94 174.53 1wb9 s THR 581 N 0.49 3.97 -1.14 2.92 2.01 -0.34 -2.04 115.64 121.50 1wb9 s THR 581 Ca -0.06 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 1wb9 s THR 581 Cb -0.15 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1wb9 s THR 581 CO 0.03 0.44 0.81 -0.62 -0.69 0.00 0.00 174.62 174.59 1wb9 n GLU 582 N 4.15 -2.20 -3.29 4.92 -0.58 -1.24 -1.06 120.64 121.34 1wb9 n GLU 582 Ca -0.17 0.61 -0.34 0.00 -0.42 0.00 0.00 57.16 56.84 1wb9 n GLU 582 Cb 0.52 -4.83 -0.06 0.00 -0.57 0.00 0.00 31.44 26.50 1wb9 n GLU 582 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1wb9 s GLY 583 N -3.61 2.40 0.09 0.62 0.00 -0.44 -3.13 107.32 103.26 1wb9 s GLY 583 Ca 0.38 -0.09 0.04 0.00 0.00 0.00 0.00 44.72 45.05 1wb9 s GLY 583 CO 0.82 0.14 -0.11 0.50 0.00 0.00 0.00 173.10 174.44 1wb9 s ARG 584 N -2.44 0.86 -0.28 2.90 3.00 -0.38 -1.35 118.95 121.25 1wb9 s ARG 584 Ca 0.45 -1.12 -0.29 0.00 0.00 0.00 0.00 55.73 54.77 1wb9 s ARG 584 Cb -0.13 -0.64 -0.00 0.00 0.00 0.00 0.00 34.95 34.18 1wb9 s ARG 584 CO 0.20 0.11 1.31 -1.58 0.00 0.00 0.00 175.30 175.34 1wb9 s HIS 585 N -2.13 2.68 0.45 -0.53 5.65 -1.26 -4.74 115.29 115.41 1wb9 s HIS 585 Ca 0.04 0.87 0.23 0.00 0.25 0.00 0.00 55.06 56.46 1wb9 s HIS 585 Cb -0.05 -3.86 1.35 0.00 -1.18 0.00 0.00 32.58 28.84 1wb9 s HIS 585 CO 0.01 -1.76 2.07 -1.00 -0.65 0.00 0.00 174.74 173.41 1wb9 h PRO 586 N 9.22 0.00 0.03 2.88 0.13 -1.93 -1.93 132.00 140.40 1wb9 h PRO 586 Ca -0.26 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.62 1wb9 h PRO 586 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1wb9 h PRO 586 CO 1.02 0.13 -1.35 0.28 -0.23 0.00 0.00 178.00 177.85 1wb9 h VAL 587 N 0.00 0.90 -0.38 1.56 2.07 -1.91 -3.37 116.25 115.12 1wb9 h VAL 587 Ca -0.00 -2.22 -0.02 0.00 0.82 0.00 0.00 66.70 65.28 1wb9 h VAL 587 Cb 0.28 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1wb9 h VAL 587 CO 0.02 0.43 0.16 0.58 0.02 0.00 0.00 177.57 178.78 1wb9 h VAL 588 N -0.79 1.14 0.00 2.57 2.07 -1.93 -1.17 116.25 118.13 1wb9 h VAL 588 Ca -0.35 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1wb9 h VAL 588 Cb 1.44 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1wb9 h VAL 588 CO -0.14 0.17 -0.06 1.05 0.02 0.00 0.00 177.57 178.61 1wb9 h GLU 589 N 0.53 0.00 0.00 1.57 4.11 -1.55 -1.88 114.58 117.37 1wb9 h GLU 589 Ca 0.13 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.44 1wb9 h GLU 589 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1wb9 h GLU 589 CO -0.01 0.06 -1.14 1.96 0.07 0.00 0.00 179.01 179.95 1wb9 h GLN 590 N 0.00 0.00 0.06 1.06 1.08 -1.38 -3.41 115.11 112.53 1wb9 h GLN 590 Ca -0.00 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.82 1wb9 h GLN 590 Cb 0.54 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 1wb9 h GLN 590 CO 0.01 0.27 -2.26 1.33 -0.95 0.00 0.00 178.83 177.23 1wb9 n VAL 591 N -2.92 1.62 -1.56 -0.54 0.24 -1.08 -4.92 118.33 109.17 1wb9 n VAL 591 Ca -0.05 -0.61 -0.49 0.00 -2.04 0.00 0.00 64.34 61.15 1wb9 n VAL 591 Cb 0.76 -1.56 -0.04 0.00 -1.47 0.00 0.00 33.84 31.53 1wb9 n VAL 591 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1wb9 n LEU 592 N -3.37 1.31 -3.56 1.34 4.77 -0.72 -4.89 117.00 111.88 1wb9 n LEU 592 Ca -0.40 1.14 -0.40 0.00 -0.03 0.00 0.00 56.01 56.32 1wb9 n LEU 592 Cb 1.01 -1.19 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1wb9 n LEU 592 CO 0.33 -1.44 1.39 0.59 -1.33 0.00 0.00 177.39 176.94 1wb9 n ASN 593 N 1.93 7.26 0.00 -1.43 3.02 -1.26 -4.89 115.26 119.89 1wb9 n ASN 593 Ca 0.15 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 51.00 1wb9 n ASN 593 Cb 0.24 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1wb9 n ASN 593 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1wb9 n GLU 594 N -0.10 0.00 -1.72 3.52 0.28 -1.26 -5.16 120.64 116.20 1wb9 n GLU 594 Ca 0.47 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 57.04 1wb9 n GLU 594 Cb 0.26 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.11 1wb9 n GLU 594 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1wb9 n PRO 595 N -0.31 2.46 -2.85 3.44 -0.02 -1.26 -4.98 135.00 131.48 1wb9 n PRO 595 Ca 0.00 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.94 1wb9 n PRO 595 Cb 0.00 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 30.83 1wb9 n PRO 595 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1wb9 s PHE 596 N 0.01 3.57 -0.53 6.00 5.36 -1.26 -5.01 117.98 126.13 1wb9 s PHE 596 Ca 0.66 1.45 -0.25 0.00 -0.96 0.00 0.00 56.93 57.83 1wb9 s PHE 596 Cb -0.55 -3.00 0.03 0.00 -0.34 0.00 0.00 43.02 39.16 1wb9 s PHE 596 CO 0.48 -0.04 0.98 0.42 -1.46 0.00 0.00 175.22 175.60 1wb9 s ILE 597 N 1.26 4.35 0.58 3.12 -1.09 -1.26 -5.02 121.20 123.14 1wb9 s ILE 597 Ca 0.44 0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 59.22 1wb9 s ILE 597 Cb -0.19 -4.54 -0.04 0.00 -1.58 0.00 0.00 42.46 36.11 1wb9 s ILE 597 CO 0.21 -1.06 1.20 0.00 -1.23 0.00 0.00 174.94 174.06 1wb9 s ALA 598 N 4.06 2.60 0.01 9.38 0.00 -1.26 -4.93 121.76 131.63 1wb9 s ALA 598 Ca 0.35 0.99 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 1wb9 s ALA 598 Cb -0.11 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1wb9 s ALA 598 CO 0.23 -1.09 0.01 -0.80 0.00 0.00 0.00 175.76 174.11 1wb9 s ASN 599 N -1.58 0.18 0.65 0.00 0.01 -0.46 -4.81 114.94 108.93 1wb9 s ASN 599 Ca 0.76 -0.41 -0.09 0.00 -0.71 0.00 0.00 52.86 52.41 1wb9 s ASN 599 Cb -0.30 0.12 0.01 0.00 0.41 0.00 0.00 41.25 41.49 1wb9 s ASN 599 CO 0.33 -0.30 1.00 -2.16 -1.51 0.00 0.00 177.10 174.45 1wb9 s PRO 600 N -1.37 2.87 -0.07 -0.60 0.04 -1.26 -1.32 135.00 133.28 1wb9 s PRO 600 Ca -0.15 0.21 -0.10 0.00 0.04 0.00 0.00 61.00 61.00 1wb9 s PRO 600 Cb -0.09 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1wb9 s PRO 600 CO -0.00 -0.87 0.26 -1.17 0.04 0.00 0.00 177.00 175.25 1wb9 s LEU 601 N -5.18 1.02 -0.26 -3.56 2.96 -0.87 -4.97 118.68 107.83 1wb9 s LEU 601 Ca 0.56 0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 1wb9 s LEU 601 Cb -0.11 0.96 0.09 0.00 0.50 0.00 0.00 46.19 47.63 1wb9 s LEU 601 CO 0.48 -0.19 0.11 0.21 -1.32 0.00 0.00 176.35 175.65 1wb9 s ASN 602 N -0.28 3.25 -0.05 3.68 2.47 -1.25 -1.20 114.94 121.56 1wb9 s ASN 602 Ca -0.04 -1.12 0.04 0.00 0.42 0.00 0.00 52.86 52.16 1wb9 s ASN 602 Cb -0.03 -0.39 -0.02 0.00 -1.45 0.00 0.00 41.25 39.36 1wb9 s ASN 602 CO 0.01 -0.41 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.07 1wb9 s LEU 603 N 2.05 2.64 0.32 3.21 1.43 -0.37 -4.94 118.68 123.02 1wb9 s LEU 603 Ca 0.07 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 1wb9 s LEU 603 Cb -0.16 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1wb9 s LEU 603 CO -0.27 0.33 0.50 -0.94 0.23 0.00 0.00 176.35 176.19 1wb9 s SER 604 N -0.62 0.50 0.59 2.29 1.04 0.08 -1.12 113.70 116.47 1wb9 s SER 604 Ca 0.09 -1.29 0.36 0.00 0.48 0.00 0.00 55.95 55.60 1wb9 s SER 604 Cb -0.11 0.65 1.83 0.00 0.10 0.00 0.00 66.02 68.49 1wb9 s SER 604 CO 0.01 -1.28 2.17 -0.65 0.98 0.00 0.00 173.24 174.47 1wb9 h PRO 605 N 2.16 0.00 0.00 4.02 0.11 -1.97 -2.42 132.00 133.91 1wb9 h PRO 605 Ca -0.28 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 1wb9 h PRO 605 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1wb9 h PRO 605 CO 0.39 0.03 -1.51 1.04 -0.21 0.00 0.00 178.00 177.74 1wb9 n GLN 606 N -3.25 0.63 -3.72 1.05 3.00 -1.26 -4.51 117.38 109.33 1wb9 n GLN 606 Ca -0.02 0.09 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 1wb9 n GLN 606 Cb 0.19 -1.73 -0.11 0.00 0.00 0.00 0.00 30.24 28.59 1wb9 n GLN 606 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1wb9 n ARG 607 N -2.69 1.34 -0.00 -1.09 0.63 -0.94 -4.08 116.66 109.83 1wb9 n ARG 607 Ca -0.08 -4.08 0.07 0.00 -0.92 0.00 0.00 57.85 52.84 1wb9 n ARG 607 Cb 0.73 -2.08 -0.10 0.00 0.45 0.00 0.00 32.46 31.46 1wb9 n ARG 607 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1wb9 n ARG 608 N 2.17 1.18 -4.24 -0.14 1.85 -0.50 -0.74 116.66 116.24 1wb9 n ARG 608 Ca 0.23 -0.08 -0.24 0.00 -1.00 0.00 0.00 57.85 56.76 1wb9 n ARG 608 Cb 0.39 -1.27 -0.17 0.00 -1.05 0.00 0.00 32.46 30.36 1wb9 n ARG 608 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1wb9 s MET 609 N -2.74 1.39 -0.20 2.89 0.00 -0.75 -0.40 119.30 119.47 1wb9 s MET 609 Ca -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 55.69 55.35 1wb9 s MET 609 Cb 0.10 -1.30 -0.03 0.00 0.00 0.00 0.00 34.83 33.59 1wb9 s MET 609 CO 0.59 -0.10 0.03 -0.51 0.00 0.00 0.00 175.02 175.03 1wb9 s LEU 610 N 1.10 3.44 -0.36 4.11 1.43 -0.45 -1.46 118.68 126.50 1wb9 s LEU 610 Ca -0.07 -0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 52.66 1wb9 s LEU 610 Cb -0.14 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1wb9 s LEU 610 CO -0.01 0.08 0.85 -0.63 0.23 0.00 0.00 176.35 176.87 1wb9 s ILE 611 N 0.93 4.67 -0.24 -0.59 -1.09 0.07 -0.35 121.20 124.60 1wb9 s ILE 611 Ca 0.02 1.09 -0.07 0.00 -2.23 0.00 0.00 60.65 59.46 1wb9 s ILE 611 Cb -0.14 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 1wb9 s ILE 611 CO 0.02 -0.45 0.07 -0.63 -1.23 0.00 0.00 174.94 172.73 1wb9 s ILE 612 N 3.25 4.45 0.45 2.92 1.01 -0.31 -1.69 121.20 131.28 1wb9 s ILE 612 Ca 0.35 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.92 1wb9 s ILE 612 Cb -0.13 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 1wb9 s ILE 612 CO 0.17 0.36 0.05 0.42 0.00 0.00 0.00 174.94 175.94 1wb9 s THR 613 N 1.37 1.74 0.00 2.92 -4.23 -0.77 -1.64 115.64 115.04 1wb9 s THR 613 Ca 0.05 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1wb9 s THR 613 Cb -0.15 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1wb9 s THR 613 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1wb9 n GLY 614 N -1.15 3.77 3.74 3.99 0.00 -1.26 -0.01 105.19 114.28 1wb9 n GLY 614 Ca -0.09 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 1wb9 n GLY 614 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wb9 s PRO 615 N -2.54 2.59 0.22 1.61 0.04 -1.26 -4.83 135.00 130.83 1wb9 s PRO 615 Ca 0.00 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 1wb9 s PRO 615 Cb 0.00 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 1wb9 s PRO 615 CO 0.00 -1.48 1.00 -1.71 0.04 0.00 0.00 177.00 174.85 1wb9 n ASN 616 N -2.24 0.92 0.00 6.66 2.85 -1.26 -0.46 115.26 121.73 1wb9 n ASN 616 Ca 0.13 1.16 0.00 0.00 -0.11 0.00 0.00 54.58 55.75 1wb9 n ASN 616 Cb 0.50 -1.20 0.00 0.00 1.24 0.00 0.00 39.78 40.32 1wb9 n ASN 616 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1wb9 n MET 617 N 1.20 -0.42 0.20 1.20 2.81 -1.26 -4.93 117.12 115.92 1wb9 n MET 617 Ca 0.13 0.11 0.07 0.00 -1.81 0.00 0.00 57.70 56.20 1wb9 n MET 617 Cb 0.27 -3.60 0.40 0.00 -0.71 0.00 0.00 33.22 29.59 1wb9 n MET 617 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1wb9 h GLY 618 N 0.00 0.00 0.00 3.03 0.00 -1.08 -3.47 103.07 101.54 1wb9 h GLY 618 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wb9 h GLY 618 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1wb9 n GLY 619 N 0.13 1.90 0.24 4.60 0.00 -1.26 -3.99 105.19 106.81 1wb9 n GLY 619 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1wb9 n GLY 619 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wb9 h LYS 620 N 0.00 -0.52 -0.83 1.61 1.57 -1.90 -2.06 116.57 114.43 1wb9 h LYS 620 Ca 0.00 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1wb9 h LYS 620 Cb 0.00 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 1wb9 h LYS 620 CO 0.00 -0.22 0.50 0.77 -0.57 0.00 0.00 179.45 179.93 1wb9 h SER 621 N -0.86 0.75 -0.55 0.86 0.02 -1.99 -2.37 113.55 109.41 1wb9 h SER 621 Ca -0.06 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1wb9 h SER 621 Cb 0.55 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1wb9 h SER 621 CO 0.09 0.46 0.05 0.74 -1.14 0.00 0.00 176.83 177.03 1wb9 h THR 622 N 0.88 1.26 -0.61 -2.27 2.02 -1.98 -0.28 112.91 111.92 1wb9 h THR 622 Ca 0.38 -1.04 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 1wb9 h THR 622 Cb 0.26 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1wb9 h THR 622 CO -0.21 0.38 0.07 0.22 0.37 0.00 0.00 175.52 176.35 1wb9 h TYR 623 N 0.91 1.07 0.01 3.16 3.20 -0.99 -1.77 116.97 122.56 1wb9 h TYR 623 Ca 0.18 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1wb9 h TYR 623 Cb 0.46 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1wb9 h TYR 623 CO 0.03 0.93 -0.00 0.52 -1.64 0.00 0.00 178.16 177.99 1wb9 h MET 624 N 0.94 -0.01 -0.89 1.82 2.86 -1.14 -2.93 114.93 115.57 1wb9 h MET 624 Ca 0.18 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.97 1wb9 h MET 624 Cb 0.45 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.02 1wb9 h MET 624 CO 0.02 0.45 0.49 0.00 1.06 0.00 0.00 176.91 178.93 1wb9 h ARG 625 N -0.47 0.68 -0.06 1.72 3.08 -0.99 -1.96 114.38 116.38 1wb9 h ARG 625 Ca -0.00 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1wb9 h ARG 625 Cb 0.46 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1wb9 h ARG 625 CO 0.00 0.45 -0.57 -0.56 -1.07 0.00 0.00 179.97 178.22 1wb9 h GLN 626 N 0.71 0.18 -0.01 0.04 3.07 -1.34 -0.55 115.11 117.22 1wb9 h GLN 626 Ca 0.48 -0.12 0.01 0.00 0.09 0.00 0.00 58.65 59.12 1wb9 h GLN 626 Cb 0.66 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.21 1wb9 h GLN 626 CO -0.35 0.71 -0.08 1.15 0.09 0.00 0.00 178.83 180.35 1wb9 h THR 627 N 0.14 0.80 -0.26 1.86 2.02 -1.17 -0.58 112.91 115.73 1wb9 h THR 627 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1wb9 h THR 627 Cb 1.05 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1wb9 h THR 627 CO 0.09 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.69 1wb9 h ALA 628 N 0.86 1.03 -0.45 6.16 0.00 -1.13 -1.67 119.26 124.06 1wb9 h ALA 628 Ca 0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1wb9 h ALA 628 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wb9 h ALA 628 CO -0.08 0.58 -0.26 -0.07 0.00 0.00 0.00 179.25 179.42 1wb9 h LEU 629 N 0.45 1.00 -0.35 0.00 3.38 -0.95 0.12 115.31 118.96 1wb9 h LEU 629 Ca 0.06 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1wb9 h LEU 629 Cb 0.73 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1wb9 h LEU 629 CO 0.06 1.19 -0.04 0.40 0.09 0.00 0.00 178.44 180.14 1wb9 h ILE 630 N 0.82 1.27 -0.07 1.22 2.04 -0.89 0.30 117.51 122.20 1wb9 h ILE 630 Ca 0.10 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 64.94 1wb9 h ILE 630 Cb 0.84 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1wb9 h ILE 630 CO 0.07 0.35 -0.20 0.00 0.00 0.00 0.00 178.15 178.37 1wb9 h ALA 631 N 0.84 -0.20 -0.28 1.87 0.00 -1.25 0.34 119.26 120.58 1wb9 h ALA 631 Ca 0.09 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1wb9 h ALA 631 Cb 0.51 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1wb9 h ALA 631 CO 0.02 -0.68 -0.02 1.25 0.00 0.00 0.00 179.25 179.83 1wb9 h LEU 632 N -0.29 -0.16 -0.28 0.00 6.46 -0.40 -1.94 115.31 118.71 1wb9 h LEU 632 Ca 0.08 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1wb9 h LEU 632 Cb 0.40 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1wb9 h LEU 632 CO -0.23 -0.05 0.11 0.24 -0.62 0.00 0.00 178.44 177.89 1wb9 h MET 633 N 0.06 0.42 -1.00 1.25 2.86 -0.81 -2.15 114.93 115.54 1wb9 h MET 633 Ca 0.13 -0.08 0.17 0.00 -2.06 0.00 0.00 59.70 57.87 1wb9 h MET 633 Cb 0.19 -0.07 -0.10 0.00 0.06 0.00 0.00 31.60 31.68 1wb9 h MET 633 CO -0.24 0.44 0.61 0.00 1.06 0.00 0.00 176.91 178.78 1wb9 h ALA 634 N 0.95 1.61 -0.30 6.32 0.00 -0.69 -1.94 119.26 125.23 1wb9 h ALA 634 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wb9 h ALA 634 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wb9 h ALA 634 CO -0.01 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.92 1wb9 n TYR 635 N -4.74 0.39 0.83 0.00 4.01 -0.75 -2.40 117.16 114.50 1wb9 n TYR 635 Ca 0.22 -0.20 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 1wb9 n TYR 635 Cb 0.51 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.58 1wb9 n TYR 635 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1wb9 n ILE 636 N 0.49 0.00 -0.13 -0.72 -5.35 -0.76 0.15 119.36 113.05 1wb9 n ILE 636 Ca 0.14 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1wb9 n ILE 636 Cb 0.32 1.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 1wb9 n ILE 636 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wb9 n GLY 637 N 1.20 0.69 3.86 3.28 0.00 -1.01 -4.97 105.19 108.23 1wb9 n GLY 637 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1wb9 n GLY 637 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wb9 s SER 638 N -2.67 6.54 0.87 1.61 0.15 -1.02 -3.48 113.70 115.70 1wb9 s SER 638 Ca 0.00 1.41 -0.11 0.00 0.70 0.00 0.00 55.95 57.95 1wb9 s SER 638 Cb 0.00 -2.45 0.11 0.00 -1.71 0.00 0.00 66.02 61.98 1wb9 s SER 638 CO 0.00 -0.56 1.09 -0.31 1.20 0.00 0.00 173.24 174.66 1wb9 s TYR 639 N -2.62 2.41 0.11 3.44 1.51 -1.26 -4.24 117.35 116.70 1wb9 s TYR 639 Ca 0.56 1.29 0.05 0.00 -1.01 0.00 0.00 57.07 57.97 1wb9 s TYR 639 Cb -0.10 -3.14 -0.04 0.00 -0.11 0.00 0.00 41.96 38.57 1wb9 s TYR 639 CO 0.34 -2.24 -0.13 0.14 -1.11 0.00 0.00 175.55 172.55 1wb9 s VAL 640 N -2.95 1.25 -1.22 0.71 -7.23 0.19 -4.80 120.40 106.34 1wb9 s VAL 640 Ca 0.63 -1.68 -0.21 0.00 -1.81 0.00 0.00 61.98 58.92 1wb9 s VAL 640 Cb -0.17 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 1wb9 s VAL 640 CO 0.57 -0.43 1.82 -2.16 -0.31 0.00 0.00 175.10 174.59 1wb9 s PRO 641 N -2.63 3.26 0.08 4.82 0.04 -1.26 -1.45 135.00 137.86 1wb9 s PRO 641 Ca 0.08 -1.53 -0.27 0.00 0.04 0.00 0.00 61.00 59.32 1wb9 s PRO 641 Cb -0.05 -5.38 0.08 0.00 0.04 0.00 0.00 34.50 29.19 1wb9 s PRO 641 CO 0.02 -3.07 0.90 0.00 0.04 0.00 0.00 177.00 174.90 1wb9 s ALA 642 N 7.50 -1.72 0.07 8.56 0.00 -1.26 -1.25 121.76 133.65 1wb9 s ALA 642 Ca 0.61 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.97 1wb9 s ALA 642 Cb 0.01 0.55 -0.25 0.00 0.00 0.00 0.00 23.12 23.44 1wb9 s ALA 642 CO 0.09 -0.86 1.16 0.37 0.00 0.00 0.00 175.76 176.52 1wb9 h GLN 643 N 2.00 0.66 -2.92 0.00 4.15 -1.04 -3.34 115.11 114.64 1wb9 h GLN 643 Ca -0.24 -0.78 -0.13 0.00 0.77 0.00 0.00 58.65 58.28 1wb9 h GLN 643 Cb 1.24 0.24 -0.23 0.00 0.21 0.00 0.00 27.48 28.93 1wb9 h GLN 643 CO 0.29 1.34 -0.29 0.21 -1.93 0.00 0.00 178.83 178.45 1wb9 s LYS 644 N -3.18 0.49 -0.03 1.69 2.20 -1.10 -4.90 119.74 114.91 1wb9 s LYS 644 Ca -0.09 0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1wb9 s LYS 644 Cb 0.06 0.23 0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1wb9 s LYS 644 CO 0.93 -0.09 0.04 0.08 -0.36 0.00 0.00 175.35 175.95 1wb9 s VAL 645 N -0.23 -0.06 -0.14 4.02 1.01 -1.26 -1.19 120.40 122.55 1wb9 s VAL 645 Ca -0.04 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1wb9 s VAL 645 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 1wb9 s VAL 645 CO 0.02 0.15 -0.07 -1.61 0.00 0.00 0.00 175.10 173.58 1wb9 s GLU 646 N 1.69 3.46 -0.02 2.72 2.02 -0.31 -1.24 118.70 127.02 1wb9 s GLU 646 Ca -0.01 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 54.40 1wb9 s GLU 646 Cb -0.12 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.35 1wb9 s GLU 646 CO -0.03 0.29 0.03 -1.50 0.02 0.00 0.00 175.26 174.07 1wb9 s ILE 647 N 0.20 -0.05 0.85 -1.63 2.07 -0.49 -0.49 121.20 121.65 1wb9 s ILE 647 Ca -0.04 0.20 -0.11 0.00 -1.41 0.00 0.00 60.65 59.29 1wb9 s ILE 647 Cb -0.14 -0.08 0.19 0.00 0.13 0.00 0.00 42.46 42.55 1wb9 s ILE 647 CO 0.04 0.08 1.16 0.61 -1.91 0.00 0.00 174.94 174.91 1wb9 n GLY 648 N 4.10 -0.80 3.77 1.50 0.00 0.06 -1.94 105.19 111.88 1wb9 n GLY 648 Ca -0.27 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1wb9 n GLY 648 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wb9 s PRO 649 N -5.49 4.26 -0.13 1.61 0.04 -1.26 -4.72 135.00 129.32 1wb9 s PRO 649 Ca 0.68 2.34 -0.00 0.00 0.04 0.00 0.00 61.00 64.07 1wb9 s PRO 649 Cb -0.02 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.49 1wb9 s PRO 649 CO 0.47 -0.35 -0.08 0.42 0.04 0.00 0.00 177.00 177.50 1wb9 s ILE 650 N -0.85 1.14 0.01 0.56 1.01 -1.26 -4.64 121.20 117.18 1wb9 s ILE 650 Ca 0.53 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1wb9 s ILE 650 Cb -0.42 -1.16 -0.28 0.00 0.01 0.00 0.00 42.46 40.60 1wb9 s ILE 650 CO 0.53 0.35 0.90 -2.24 0.00 0.00 0.00 174.94 174.49 1wb9 h ASP 651 N 8.15 0.42 -4.86 3.58 2.03 -1.58 -3.43 116.42 120.73 1wb9 h ASP 651 Ca -0.31 -0.56 -0.10 0.00 -0.73 0.00 0.00 57.03 55.34 1wb9 h ASP 651 Cb 1.13 -0.14 -0.20 0.00 -0.83 0.00 0.00 39.33 39.29 1wb9 h ASP 651 CO 0.43 1.46 -0.11 -0.13 -1.03 0.00 0.00 179.24 179.86 1wb9 s ARG 652 N -2.62 0.78 -0.14 4.15 0.52 -1.26 -1.97 118.95 118.41 1wb9 s ARG 652 Ca -0.08 0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.21 1wb9 s ARG 652 Cb 0.07 0.36 0.01 0.00 0.52 0.00 0.00 34.95 35.91 1wb9 s ARG 652 CO 0.86 -0.22 -0.22 0.42 0.02 0.00 0.00 175.30 176.17 1wb9 s ILE 653 N -1.09 2.04 0.10 1.52 1.01 -0.58 -1.44 121.20 122.75 1wb9 s ILE 653 Ca -0.11 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.65 1wb9 s ILE 653 Cb -0.03 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1wb9 s ILE 653 CO 0.06 0.54 -0.12 -0.36 0.00 0.00 0.00 174.94 175.06 1wb9 s PHE 654 N 0.87 2.68 -0.02 3.97 0.08 -0.51 -2.15 117.98 122.91 1wb9 s PHE 654 Ca -0.06 -0.19 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 1wb9 s PHE 654 Cb -0.15 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1wb9 s PHE 654 CO -0.03 0.40 0.03 0.99 -0.10 0.00 0.00 175.22 176.51 1wb9 s THR 655 N -1.17 -0.03 -0.18 0.64 2.01 -1.26 -1.17 115.64 114.48 1wb9 s THR 655 Ca 0.20 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1wb9 s THR 655 Cb -0.11 -0.06 0.05 0.00 0.01 0.00 0.00 72.50 72.39 1wb9 s THR 655 CO 0.12 0.04 -0.01 -0.60 -0.69 0.00 0.00 174.62 173.48 1wb9 s ARG 656 N 0.50 1.09 -0.34 4.92 6.06 -0.42 -4.62 118.95 126.14 1wb9 s ARG 656 Ca -0.04 -0.51 -0.10 0.00 -2.50 0.00 0.00 55.73 52.58 1wb9 s ARG 656 Cb -0.06 -2.06 0.01 0.00 0.06 0.00 0.00 34.95 32.90 1wb9 s ARG 656 CO -0.02 -0.53 0.18 0.08 -2.50 0.00 0.00 175.30 172.52 1wb9 s VAL 657 N 1.71 4.62 0.19 7.11 1.01 -1.26 -0.73 120.40 133.05 1wb9 s VAL 657 Ca -0.01 -0.63 -0.33 0.00 0.00 0.00 0.00 61.98 61.01 1wb9 s VAL 657 Cb -0.16 -3.47 -0.15 0.00 0.00 0.00 0.00 36.38 32.60 1wb9 s VAL 657 CO -0.07 -0.09 1.28 0.61 0.00 0.00 0.00 175.10 176.83 1wb9 n GLY 658 N 5.00 0.38 0.00 4.51 0.00 -0.22 -5.00 105.19 109.86 1wb9 n GLY 658 Ca -0.13 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1wb9 n GLY 658 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1wb9 n PHE 670 N 1.80 0.00 -0.24 1.61 -0.00 -1.26 -4.96 117.46 114.41 1wb9 n PHE 670 Ca 0.14 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.70 1wb9 n PHE 670 Cb 0.27 0.00 0.38 0.00 -0.00 0.00 0.00 39.48 40.13 1wb9 n PHE 670 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.76 178.74 1wb9 h MET 671 N 0.00 0.67 -0.00 3.97 -1.53 -2.01 -2.92 114.93 113.10 1wb9 h MET 671 Ca 0.00 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.22 1wb9 h MET 671 Cb 0.00 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 30.90 1wb9 h MET 671 CO 0.00 0.44 -0.00 0.28 0.14 0.00 0.00 176.91 177.77 1wb9 h VAL 672 N 0.69 1.35 -0.74 -5.77 2.07 -2.05 -0.42 116.25 111.37 1wb9 h VAL 672 Ca 0.41 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1wb9 h VAL 672 Cb 0.62 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 1wb9 h VAL 672 CO -0.17 0.26 0.47 -0.08 0.02 0.00 0.00 177.57 178.07 1wb9 h GLU 673 N -0.43 0.89 -0.59 1.57 4.81 -1.98 -0.70 114.58 118.15 1wb9 h GLU 673 Ca 0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1wb9 h GLU 673 Cb 0.43 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1wb9 h GLU 673 CO 0.00 0.59 0.09 1.98 -0.73 0.00 0.00 179.01 180.94 1wb9 h MET 674 N 0.92 0.99 -0.41 1.92 4.05 -1.41 -0.75 114.93 120.23 1wb9 h MET 674 Ca 0.30 -0.27 -0.13 0.00 -0.28 0.00 0.00 59.70 59.32 1wb9 h MET 674 Cb 0.01 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 1wb9 h MET 674 CO -0.11 0.93 -0.26 1.15 0.23 0.00 0.00 176.91 178.86 1wb9 h THR 675 N 0.89 1.28 -0.23 -0.77 2.02 -0.62 -1.56 112.91 113.92 1wb9 h THR 675 Ca 0.18 -1.42 -0.12 0.00 0.77 0.00 0.00 66.41 65.82 1wb9 h THR 675 Cb 0.43 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1wb9 h THR 675 CO 0.01 0.48 -0.37 -0.33 0.37 0.00 0.00 175.52 175.68 1wb9 h GLU 676 N 0.72 0.52 -0.56 6.66 5.08 -0.97 -2.07 114.58 123.97 1wb9 h GLU 676 Ca 0.08 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1wb9 h GLU 676 Cb 0.84 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1wb9 h GLU 676 CO 0.07 0.81 0.20 1.15 -1.00 0.00 0.00 179.01 180.24 1wb9 h THR 677 N 0.43 1.23 -0.70 1.13 2.02 -0.94 -2.62 112.91 113.46 1wb9 h THR 677 Ca 0.04 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 1wb9 h THR 677 Cb 0.85 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1wb9 h THR 677 CO 0.07 0.28 0.21 0.00 0.37 0.00 0.00 175.52 176.45 1wb9 h ALA 678 N 1.05 0.92 -0.84 6.16 0.00 -0.99 -0.57 119.26 124.99 1wb9 h ALA 678 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wb9 h ALA 678 Cb 0.24 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1wb9 h ALA 678 CO -0.01 0.61 0.46 -0.97 0.00 0.00 0.00 179.25 179.34 1wb9 h ASN 679 N 1.04 1.04 -0.11 0.00 -0.73 -1.33 0.12 115.58 115.60 1wb9 h ASN 679 Ca 0.22 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 1wb9 h ASN 679 Cb 0.32 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1wb9 h ASN 679 CO -0.00 0.84 0.07 0.40 -0.37 0.00 0.00 177.43 178.37 1wb9 h ILE 680 N 1.16 1.05 0.00 2.57 2.04 -1.10 -1.18 117.51 122.06 1wb9 h ILE 680 Ca 0.29 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 1wb9 h ILE 680 Cb 0.03 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1wb9 h ILE 680 CO -0.05 0.05 -0.15 -0.07 0.00 0.00 0.00 178.15 177.93 1wb9 h LEU 681 N 0.12 0.00 0.00 1.44 3.38 -0.57 -1.51 115.31 118.17 1wb9 h LEU 681 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1wb9 h LEU 681 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1wb9 h LEU 681 CO -0.01 0.15 -0.64 0.45 0.09 0.00 0.00 178.44 178.48 1wb9 h HIS 682 N 0.00 0.00 0.00 1.13 3.86 -0.51 -3.41 115.15 116.22 1wb9 h HIS 682 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wb9 h HIS 682 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1wb9 h HIS 682 CO 0.00 0.44 -0.60 0.09 0.86 0.00 0.00 177.93 178.72 1wb9 n ASN 683 N -3.12 2.99 -4.77 2.45 4.13 -0.47 -5.02 115.26 111.45 1wb9 n ASN 683 Ca 0.00 -0.18 -0.36 0.00 1.68 0.00 0.00 54.58 55.72 1wb9 n ASN 683 Cb 0.72 0.96 0.01 0.00 -1.54 0.00 0.00 39.78 39.93 1wb9 n ASN 683 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wb9 s ALA 684 N -1.56 2.76 0.36 5.41 0.00 -0.61 -5.07 121.76 123.06 1wb9 s ALA 684 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1wb9 s ALA 684 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1wb9 s ALA 684 CO 0.00 -0.82 0.06 0.25 0.00 0.00 0.00 175.76 175.25 1wb9 n THR 685 N -1.09 0.00 0.24 0.00 -2.24 -1.26 -4.98 114.28 104.96 1wb9 n THR 685 Ca 0.11 -1.88 0.12 0.00 -2.27 0.00 0.00 64.05 60.13 1wb9 n THR 685 Cb 0.50 0.53 0.61 0.00 -2.10 0.00 0.00 70.33 69.87 1wb9 n THR 685 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wb9 h GLU 686 N 0.00 0.00 -0.73 -0.78 5.08 -1.79 -1.78 114.58 114.59 1wb9 h GLU 686 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1wb9 h GLU 686 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1wb9 h GLU 686 CO 0.47 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.14 1wb9 n TYR 687 N -2.34 1.07 -3.67 4.33 4.01 -1.26 -4.47 117.16 114.83 1wb9 n TYR 687 Ca -0.01 -0.52 -0.33 0.00 -0.16 0.00 0.00 57.90 56.89 1wb9 n TYR 687 Cb 0.10 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 1wb9 n TYR 687 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1wb9 s SER 688 N -0.99 6.52 -0.25 7.72 0.01 -0.67 -1.37 113.70 124.68 1wb9 s SER 688 Ca 0.50 0.62 -0.07 0.00 1.31 0.00 0.00 55.95 58.31 1wb9 s SER 688 Cb 0.27 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 1wb9 s SER 688 CO 0.32 0.12 0.06 -0.22 0.41 0.00 0.00 173.24 173.93 1wb9 s LEU 689 N -2.33 3.44 -0.14 2.44 2.96 -0.52 -0.82 118.68 123.72 1wb9 s LEU 689 Ca 0.37 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1wb9 s LEU 689 Cb -0.13 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.68 1wb9 s LEU 689 CO 0.22 -0.06 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.28 1wb9 s VAL 690 N 1.58 2.09 -0.33 1.68 1.01 0.19 -1.42 120.40 125.19 1wb9 s VAL 690 Ca 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1wb9 s VAL 690 Cb -0.15 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.48 1wb9 s VAL 690 CO 0.02 0.55 0.04 -0.76 0.00 0.00 0.00 175.10 174.96 1wb9 s LEU 691 N 0.75 4.44 -0.27 3.92 1.02 -0.32 -0.90 118.68 127.33 1wb9 s LEU 691 Ca -0.08 -1.79 -0.07 0.00 0.02 0.00 0.00 54.13 52.20 1wb9 s LEU 691 Cb -0.16 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.36 1wb9 s LEU 691 CO -0.00 -0.36 0.07 -0.04 0.02 0.00 0.00 176.35 176.04 1wb9 s MET 692 N 1.07 3.44 -0.52 1.70 -1.94 0.04 -1.30 119.30 121.79 1wb9 s MET 692 Ca 0.03 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 1wb9 s MET 692 Cb -0.20 -3.33 0.13 0.00 2.01 0.00 0.00 34.83 33.43 1wb9 s MET 692 CO -0.05 -0.28 0.27 0.34 -0.01 0.00 0.00 175.02 175.28 1wb9 s ASP 693 N 1.57 4.38 -1.17 3.03 -1.08 0.09 -1.00 116.67 122.49 1wb9 s ASP 693 Ca 0.05 -2.98 -0.00 0.00 -0.52 0.00 0.00 52.55 49.10 1wb9 s ASP 693 Cb -0.16 -1.65 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 1wb9 s ASP 693 CO 0.03 -0.24 0.98 -0.62 0.52 0.00 0.00 175.17 175.83 1wb9 n GLU 694 N 3.16 -6.48 -2.16 4.34 1.02 0.87 -1.05 120.64 120.34 1wb9 n GLU 694 Ca 0.05 0.83 -0.27 0.00 -0.02 0.00 0.00 57.16 57.75 1wb9 n GLU 694 Cb 0.33 -5.79 0.09 0.00 -0.02 0.00 0.00 31.44 26.05 1wb9 n GLU 694 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1wb9 s ILE 695 N -3.35 2.18 0.00 -3.67 -4.36 -1.26 -4.16 121.20 106.57 1wb9 s ILE 695 Ca 0.01 -0.22 0.00 0.00 -0.26 0.00 0.00 60.65 60.17 1wb9 s ILE 695 Cb -0.00 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.75 1wb9 s ILE 695 CO 0.71 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.50 1wb9 n GLY 696 N -3.10 -0.01 3.20 6.27 0.00 -1.26 -4.81 105.19 105.47 1wb9 n GLY 696 Ca 0.10 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1wb9 n GLY 696 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wb9 s ARG 697 N -0.23 2.84 0.07 1.61 0.52 -1.26 -4.18 118.95 118.31 1wb9 s ARG 697 Ca 0.00 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 1wb9 s ARG 697 Cb 0.00 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.30 1wb9 s ARG 697 CO 0.00 0.17 0.02 0.41 0.02 0.00 0.00 175.30 175.92 1wb9 n GLY 698 N 3.52 3.98 0.15 -3.53 0.00 -1.26 -4.37 105.19 103.69 1wb9 n GLY 698 Ca -0.19 -1.98 0.10 0.00 0.00 0.00 0.00 46.02 43.94 1wb9 n GLY 698 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wb9 n THR 699 N -0.15 0.00 -4.23 2.61 -2.24 -1.26 -4.81 114.28 104.20 1wb9 n THR 699 Ca -0.01 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1wb9 n THR 699 Cb 0.10 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 1wb9 n THR 699 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wb9 n SER 700 N -1.00 0.68 -0.22 3.42 2.88 -1.26 -5.07 113.62 113.05 1wb9 n SER 700 Ca 0.05 -2.15 -0.01 0.00 -1.33 0.00 0.00 58.87 55.44 1wb9 n SER 700 Cb 0.35 0.64 0.11 0.00 -0.75 0.00 0.00 64.21 64.55 1wb9 n SER 700 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1wb9 h THR 701 N 1.41 0.89 -0.00 2.46 2.02 -2.05 -3.37 112.91 114.27 1wb9 h THR 701 Ca -0.16 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1wb9 h THR 701 Cb 0.64 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1wb9 h THR 701 CO 0.24 0.10 -0.10 -1.22 0.37 0.00 0.00 175.52 174.92 1wb9 n TYR 702 N -4.87 0.00 -0.13 3.16 4.01 -1.26 -4.73 117.16 113.34 1wb9 n TYR 702 Ca 0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.73 1wb9 n TYR 702 Cb 0.22 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.29 1wb9 n TYR 702 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1wb9 h ASP 703 N 0.05 0.93 -0.15 7.72 2.03 -1.96 -0.98 116.42 124.06 1wb9 h ASP 703 Ca 0.00 -0.34 -0.01 0.00 -0.73 0.00 0.00 57.03 55.95 1wb9 h ASP 703 Cb 0.06 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.30 1wb9 h ASP 703 CO 0.00 1.09 0.04 1.23 -1.03 0.00 0.00 179.24 180.58 1wb9 h GLY 704 N 0.92 0.25 0.95 7.15 0.00 -1.81 -2.43 103.07 108.10 1wb9 h GLY 704 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1wb9 h GLY 704 CO 0.06 0.14 0.18 -2.00 0.00 0.00 0.00 176.54 174.92 1wb9 h LEU 705 N 0.05 0.51 -0.64 3.11 5.85 -1.71 -0.93 115.31 121.55 1wb9 h LEU 705 Ca 0.05 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.76 1wb9 h LEU 705 Cb 0.24 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.04 1wb9 h LEU 705 CO -0.00 0.51 0.07 0.28 -0.34 0.00 0.00 178.44 178.96 1wb9 h SER 706 N 0.48 -0.14 -0.23 1.25 0.02 -1.11 0.30 113.55 114.11 1wb9 h SER 706 Ca 0.13 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1wb9 h SER 706 Cb 0.13 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1wb9 h SER 706 CO -0.02 -0.07 0.13 0.25 -1.14 0.00 0.00 176.83 175.99 1wb9 h LEU 707 N 0.18 0.21 -1.26 5.07 7.12 -1.19 -1.51 115.31 123.94 1wb9 h LEU 707 Ca 0.35 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.37 1wb9 h LEU 707 Cb 0.56 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.61 1wb9 h LEU 707 CO -0.50 0.16 0.50 0.00 -0.13 0.00 0.00 178.44 178.47 1wb9 h ALA 708 N 1.10 1.47 -0.09 1.25 0.00 -0.19 0.94 119.26 123.74 1wb9 h ALA 708 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wb9 h ALA 708 Cb -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1wb9 h ALA 708 CO -0.04 0.49 0.04 2.35 0.00 0.00 0.00 179.25 182.09 1wb9 h TRP 709 N 1.02 0.14 -0.28 0.00 2.91 -0.21 -1.07 115.95 118.46 1wb9 h TRP 709 Ca 0.28 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.21 1wb9 h TRP 709 Cb -0.11 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 1wb9 h TRP 709 CO -0.00 0.23 -0.17 0.00 -1.03 0.00 0.00 178.44 177.47 1wb9 h ALA 710 N 0.90 1.19 -0.30 2.65 0.00 -0.90 -1.48 119.26 121.32 1wb9 h ALA 710 Ca 0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1wb9 h ALA 710 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1wb9 h ALA 710 CO -0.00 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.65 1wb9 h ALA 712 N 0.77 0.53 -0.44 0.00 0.00 -0.94 -1.09 119.26 118.08 1wb9 h ALA 712 Ca 0.07 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1wb9 h ALA 712 Cb 0.62 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1wb9 h ALA 712 CO 0.04 -0.19 0.19 0.93 0.00 0.00 0.00 179.25 180.21 1wb9 h GLU 713 N 0.37 0.37 -0.37 0.00 5.08 -1.18 -0.54 114.58 118.31 1wb9 h GLU 713 Ca 0.20 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1wb9 h GLU 713 Cb 0.15 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1wb9 h GLU 713 CO -0.17 0.24 0.17 -0.97 -1.00 0.00 0.00 179.01 177.28 1wb9 h ASN 714 N 0.38 0.50 -0.32 1.42 -0.73 -0.90 0.31 115.58 116.25 1wb9 h ASN 714 Ca 0.20 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1wb9 h ASN 714 Cb 0.16 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.60 1wb9 h ASN 714 CO -0.18 0.51 0.21 -0.07 -0.37 0.00 0.00 177.43 177.53 1wb9 h LEU 715 N 0.46 0.36 0.17 0.34 3.38 -0.92 -1.34 115.31 117.76 1wb9 h LEU 715 Ca 0.13 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.75 1wb9 h LEU 715 Cb 0.15 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wb9 h LEU 715 CO -0.01 0.26 -1.66 0.00 0.09 0.00 0.00 178.44 177.12 1wb9 h ALA 716 N 1.80 0.18 0.00 1.53 0.00 -0.65 -0.98 119.26 121.14 1wb9 h ALA 716 Ca 0.12 -1.12 -0.13 0.00 0.00 0.00 0.00 54.91 53.78 1wb9 h ALA 716 Cb -0.05 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1wb9 h ALA 716 CO -0.02 1.05 -1.68 -1.71 0.00 0.00 0.00 179.25 176.88 1wb9 n ASN 717 N -3.55 2.28 -0.08 0.00 2.85 0.06 -4.26 115.26 112.57 1wb9 n ASN 717 Ca -0.21 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.12 1wb9 n ASN 717 Cb 1.07 1.04 -0.04 0.00 1.24 0.00 0.00 39.78 43.09 1wb9 n ASN 717 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wb9 n LYS 718 N -2.23 0.43 -0.03 1.20 4.76 -0.56 -4.77 118.16 116.96 1wb9 n LYS 718 Ca -0.12 0.18 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 1wb9 n LYS 718 Cb 0.67 -1.24 -0.09 0.00 -1.84 0.00 0.00 35.03 32.53 1wb9 n LYS 718 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1wb9 h ILE 719 N -0.78 1.39 -2.57 -0.18 2.04 -1.58 -3.48 117.51 112.35 1wb9 h ILE 719 Ca -0.22 -1.72 -0.32 0.00 1.00 0.00 0.00 64.86 63.60 1wb9 h ILE 719 Cb 1.06 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1wb9 h ILE 719 CO -0.13 0.51 -0.43 0.29 0.00 0.00 0.00 178.15 178.39 1wb9 n LYS 720 N -4.35 -1.83 -1.13 2.37 5.02 -0.38 -3.51 118.16 114.35 1wb9 n LYS 720 Ca -0.08 0.77 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 1wb9 n LYS 720 Cb 0.53 -5.17 0.12 0.00 -0.02 0.00 0.00 35.03 30.48 1wb9 n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wb9 s ALA 721 N -2.85 1.92 -0.27 7.82 0.00 -1.17 -4.53 121.76 122.68 1wb9 s ALA 721 Ca 0.05 0.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.99 1wb9 s ALA 721 Cb -0.02 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1wb9 s ALA 721 CO 0.06 -2.10 0.98 -0.51 0.00 0.00 0.00 175.76 174.19 1wb9 s LEU 722 N -6.13 4.04 -0.08 0.00 1.43 0.00 -4.64 118.68 113.30 1wb9 s LEU 722 Ca 0.63 1.12 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 1wb9 s LEU 722 Cb -0.18 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1wb9 s LEU 722 CO 0.57 -0.70 -0.16 -0.89 0.23 0.00 0.00 176.35 175.40 1wb9 s THR 723 N 3.24 1.43 -0.29 5.49 2.01 0.46 -0.64 115.64 127.35 1wb9 s THR 723 Ca 0.41 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 1wb9 s THR 723 Cb -0.14 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1wb9 s THR 723 CO 0.10 0.42 0.12 -0.76 -0.69 0.00 0.00 174.62 173.81 1wb9 s LEU 724 N 0.68 3.85 -0.62 4.42 1.43 -0.07 -1.34 118.68 127.03 1wb9 s LEU 724 Ca -0.13 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1wb9 s LEU 724 Cb -0.16 -1.97 0.15 0.00 0.03 0.00 0.00 46.19 44.24 1wb9 s LEU 724 CO 0.04 -0.13 0.40 0.12 0.23 0.00 0.00 176.35 177.01 1wb9 s PHE 725 N 1.62 3.39 0.18 0.29 5.36 0.53 -0.78 117.98 128.57 1wb9 s PHE 725 Ca 0.05 -3.13 -0.30 0.00 -0.96 0.00 0.00 56.93 52.59 1wb9 s PHE 725 Cb -0.16 -2.90 -0.07 0.00 -0.34 0.00 0.00 43.02 39.54 1wb9 s PHE 725 CO 0.05 -0.70 1.04 0.00 -1.46 0.00 0.00 175.22 174.14 1wb9 s ALA 726 N -0.67 3.33 -0.01 11.12 0.00 -0.17 -1.16 121.76 134.19 1wb9 s ALA 726 Ca 0.20 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 1wb9 s ALA 726 Cb -0.17 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1wb9 s ALA 726 CO -0.06 -0.09 0.31 -0.08 0.00 0.00 0.00 175.76 175.84 1wb9 s THR 727 N -0.40 0.06 -1.49 0.00 -1.32 -0.65 -0.09 115.64 111.75 1wb9 s THR 727 Ca 0.47 -0.47 0.25 0.00 -1.21 0.00 0.00 61.69 60.73 1wb9 s THR 727 Cb -0.27 -0.61 0.08 0.00 -1.51 0.00 0.00 72.50 70.18 1wb9 s THR 727 CO 0.33 -0.26 1.35 0.00 -2.21 0.00 0.00 174.62 173.84 1wb9 n HIS 728 N 1.29 0.00 -2.73 9.09 1.44 -1.26 -4.49 115.22 118.56 1wb9 n HIS 728 Ca -0.21 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.07 1wb9 n HIS 728 Cb 0.56 -0.12 -0.03 0.00 0.12 0.00 0.00 29.99 30.52 1wb9 n HIS 728 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1wb9 s TYR 729 N -2.70 2.53 0.56 -1.40 2.02 -1.26 -4.88 117.35 112.22 1wb9 s TYR 729 Ca 0.17 -0.29 0.25 0.00 -0.37 0.00 0.00 57.07 56.83 1wb9 s TYR 729 Cb 0.18 -4.41 1.53 0.00 -0.40 0.00 0.00 41.96 38.87 1wb9 s TYR 729 CO 0.63 -1.79 2.11 0.35 -1.57 0.00 0.00 175.55 175.28 1wb9 h PHE 730 N 9.72 0.00 -0.94 2.71 3.57 -2.01 -2.11 116.94 127.88 1wb9 h PHE 730 Ca -0.28 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.40 1wb9 h PHE 730 Cb 1.06 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.72 1wb9 h PHE 730 CO 1.03 0.00 0.60 0.93 -2.23 0.00 0.00 178.31 178.63 1wb9 h GLU 731 N 0.00 0.61 0.00 1.11 3.07 -2.01 -0.72 114.58 116.64 1wb9 h GLU 731 Ca 0.09 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1wb9 h GLU 731 Cb 0.41 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1wb9 h GLU 731 CO -0.00 0.40 0.00 -0.07 -1.40 0.00 0.00 179.01 177.94 1wb9 h LEU 732 N 0.62 0.00 0.00 1.33 3.38 -1.80 -2.56 115.31 116.28 1wb9 h LEU 732 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1wb9 h LEU 732 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1wb9 h LEU 732 CO -0.25 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.63 1wb9 n THR 733 N -2.51 0.26 1.01 0.22 -2.24 -0.28 -1.53 114.28 109.21 1wb9 n THR 733 Ca 0.00 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 1wb9 n THR 733 Cb 0.18 -0.90 0.26 0.00 -2.10 0.00 0.00 70.33 67.77 1wb9 n THR 733 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1wb9 n GLN 734 N -1.10 0.03 0.00 -0.78 7.27 -0.97 -4.41 117.38 117.44 1wb9 n GLN 734 Ca 0.07 -0.02 -0.10 0.00 0.07 0.00 0.00 57.00 57.02 1wb9 n GLN 734 Cb 0.05 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 31.16 1wb9 n GLN 734 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1wb9 h LEU 735 N 0.05 -0.14 -1.10 1.69 5.85 -1.49 -2.69 115.31 117.47 1wb9 h LEU 735 Ca 0.00 0.04 0.25 0.00 0.84 0.00 0.00 57.88 59.00 1wb9 h LEU 735 Cb 0.50 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.50 1wb9 h LEU 735 CO 0.00 -0.06 0.62 -0.65 -0.34 0.00 0.00 178.44 178.01 1wb9 h PRO 736 N -0.03 0.53 -0.05 5.25 0.11 -1.77 -0.18 132.00 135.86 1wb9 h PRO 736 Ca 0.05 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 1wb9 h PRO 736 Cb 0.11 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1wb9 h PRO 736 CO -0.12 0.35 -0.49 1.05 -0.21 0.00 0.00 178.00 178.59 1wb9 h GLU 737 N 0.55 0.12 0.00 1.05 4.11 -1.77 -3.21 114.58 115.43 1wb9 h GLU 737 Ca 0.63 -0.07 -0.13 0.00 0.07 0.00 0.00 59.36 59.86 1wb9 h GLU 737 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1wb9 h GLU 737 CO -0.42 0.59 -0.94 0.87 0.07 0.00 0.00 179.01 179.18 1wb9 h LYS 738 N 0.10 0.00 -3.71 1.06 1.79 -1.21 -3.47 116.57 111.13 1wb9 h LYS 738 Ca 0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 1wb9 h LYS 738 Cb 0.90 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.16 1wb9 h LYS 738 CO 0.07 0.38 -0.77 1.41 -1.08 0.00 0.00 179.45 179.46 1wb9 s MET 739 N -2.96 0.76 0.34 3.15 1.75 -0.20 -5.11 119.30 117.03 1wb9 s MET 739 Ca 0.01 -0.18 -0.29 0.00 -1.25 0.00 0.00 55.69 53.98 1wb9 s MET 739 Cb 0.08 -1.56 -0.11 0.00 2.84 0.00 0.00 34.83 36.09 1wb9 s MET 739 CO 0.78 -0.45 1.52 -2.00 -0.65 0.00 0.00 175.02 174.22 1wb9 s GLU 740 N 1.88 4.13 0.00 4.11 -6.30 -1.26 -3.23 118.70 118.03 1wb9 s GLU 740 Ca 0.02 2.55 0.00 0.00 -2.50 0.00 0.00 54.97 55.04 1wb9 s GLU 740 Cb -0.14 -3.00 0.00 0.00 0.00 0.00 0.00 34.13 30.99 1wb9 s GLU 740 CO -0.07 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1wb9 n GLY 741 N 1.21 0.66 3.49 -1.50 0.00 -1.26 -4.75 105.19 103.04 1wb9 n GLY 741 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1wb9 n GLY 741 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wb9 s VAL 742 N -2.53 3.19 0.07 1.61 1.01 -1.20 -1.41 120.40 121.15 1wb9 s VAL 742 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1wb9 s VAL 742 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1wb9 s VAL 742 CO 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 175.10 175.64 1wb9 s ALA 743 N -0.65 0.75 -0.14 5.51 0.00 -0.53 -4.38 121.76 122.31 1wb9 s ALA 743 Ca 0.10 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1wb9 s ALA 743 Cb -0.11 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1wb9 s ALA 743 CO 0.01 -0.28 0.22 -0.80 0.00 0.00 0.00 175.76 174.91 1wb9 s ASN 744 N -2.88 6.40 0.30 0.00 0.01 -1.26 -0.75 114.94 116.76 1wb9 s ASN 744 Ca 0.08 0.47 0.06 0.00 -0.71 0.00 0.00 52.86 52.76 1wb9 s ASN 744 Cb 0.05 -2.13 -0.06 0.00 0.41 0.00 0.00 41.25 39.52 1wb9 s ASN 744 CO -0.06 0.23 -0.03 0.68 -1.51 0.00 0.00 177.10 176.41 1wb9 s VAL 745 N -0.15 1.60 0.08 1.60 -7.23 -0.68 -0.68 120.40 114.94 1wb9 s VAL 745 Ca 0.14 -2.09 -0.14 0.00 -1.81 0.00 0.00 61.98 58.08 1wb9 s VAL 745 Cb -0.13 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.26 1wb9 s VAL 745 CO 0.03 -0.21 0.33 -1.38 -0.31 0.00 0.00 175.10 173.56 1wb9 s HIS 746 N -3.03 -0.11 -0.25 2.82 -3.43 -0.46 -1.85 115.29 108.99 1wb9 s HIS 746 Ca 0.32 -0.15 -0.16 0.00 -0.80 0.00 0.00 55.06 54.27 1wb9 s HIS 746 Cb 0.05 0.14 -0.03 0.00 -1.43 0.00 0.00 32.58 31.31 1wb9 s HIS 746 CO 0.13 -0.59 0.42 -0.51 -2.00 0.00 0.00 174.74 172.19 1wb9 s LEU 747 N -2.50 4.07 0.45 5.38 1.02 0.99 -1.43 118.68 126.66 1wb9 s LEU 747 Ca -0.00 0.41 -0.24 0.00 0.02 0.00 0.00 54.13 54.32 1wb9 s LEU 747 Cb 0.01 -2.52 -0.07 0.00 0.02 0.00 0.00 46.19 43.63 1wb9 s LEU 747 CO -0.08 -0.19 1.24 -0.62 0.02 0.00 0.00 176.35 176.72 1wb9 s ASP 748 N 1.47 6.11 0.03 2.29 -1.08 -0.12 -4.40 116.67 120.97 1wb9 s ASP 748 Ca 0.18 2.48 -0.06 0.00 -0.52 0.00 0.00 52.55 54.63 1wb9 s ASP 748 Cb -0.15 -2.62 -0.01 0.00 -1.46 0.00 0.00 42.92 38.68 1wb9 s ASP 748 CO 0.09 -0.97 0.11 0.00 0.52 0.00 0.00 175.17 174.92 1wb9 s ALA 749 N -1.40 -0.17 -0.02 3.66 0.00 -1.26 -2.83 121.76 119.74 1wb9 s ALA 749 Ca 0.62 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1wb9 s ALA 749 Cb -0.33 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1wb9 s ALA 749 CO 0.41 -0.28 -0.21 -0.51 0.00 0.00 0.00 175.76 175.17 1wb9 s LEU 750 N -1.85 2.04 -0.33 0.00 1.43 -0.68 -4.97 118.68 114.31 1wb9 s LEU 750 Ca -0.09 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1wb9 s LEU 750 Cb -0.04 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 45.13 1wb9 s LEU 750 CO -0.02 0.26 0.09 -1.61 0.23 0.00 0.00 176.35 175.29 1wb9 s GLU 751 N -0.51 2.56 -0.92 1.70 2.02 -1.26 -1.00 118.70 121.29 1wb9 s GLU 751 Ca 0.08 -1.22 -0.00 0.00 0.02 0.00 0.00 54.97 53.84 1wb9 s GLU 751 Cb -0.08 -3.41 0.30 0.00 0.10 0.00 0.00 34.13 31.05 1wb9 s GLU 751 CO -0.01 -0.67 1.37 0.72 0.02 0.00 0.00 175.26 176.69 1wb9 n HIS 752 N 4.76 2.86 0.00 1.61 8.25 -1.03 -5.01 115.22 126.66 1wb9 n HIS 752 Ca -0.12 -3.05 0.00 0.00 -0.26 0.00 0.00 57.72 54.29 1wb9 n HIS 752 Cb 0.44 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.54 1wb9 n HIS 752 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wb9 n GLY 753 N 0.67 1.89 0.26 -1.41 0.00 -1.26 -4.11 105.19 101.24 1wb9 n GLY 753 Ca 0.33 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.87 1wb9 n GLY 753 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wb9 h ASP 754 N 0.00 -0.09 -1.66 1.61 1.82 -2.03 -3.45 116.42 112.62 1wb9 h ASP 754 Ca 0.00 0.16 -0.59 0.00 -0.39 0.00 0.00 57.03 56.21 1wb9 h ASP 754 Cb 0.00 0.23 -0.10 0.00 0.68 0.00 0.00 39.33 40.14 1wb9 h ASP 754 CO 0.00 -0.07 -0.54 0.28 -1.61 0.00 0.00 179.24 177.29 1wb9 s THR 755 N -6.07 2.26 -0.06 2.25 -1.32 -1.26 -4.91 115.64 106.52 1wb9 s THR 755 Ca -0.13 -1.82 0.05 0.00 -1.21 0.00 0.00 61.69 58.57 1wb9 s THR 755 Cb 0.21 -2.97 -0.02 0.00 -1.51 0.00 0.00 72.50 68.21 1wb9 s THR 755 CO 0.75 -0.03 -0.20 -0.51 -2.21 0.00 0.00 174.62 172.42 1wb9 s ILE 756 N -2.62 2.51 -0.15 5.08 2.07 -1.26 -2.47 121.20 124.35 1wb9 s ILE 756 Ca 0.38 -0.91 -0.00 0.00 -1.41 0.00 0.00 60.65 58.71 1wb9 s ILE 756 Cb 0.05 -1.95 -0.01 0.00 0.13 0.00 0.00 42.46 40.68 1wb9 s ILE 756 CO 0.21 0.57 -0.13 0.00 -1.91 0.00 0.00 174.94 173.68 1wb9 s ALA 757 N -0.31 2.58 -0.42 1.50 0.00 -0.17 -4.99 121.76 119.96 1wb9 s ALA 757 Ca 0.02 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 1wb9 s ALA 757 Cb -0.13 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1wb9 s ALA 757 CO 0.02 0.05 0.64 -0.06 0.00 0.00 0.00 175.76 176.42 1wb9 s PHE 758 N 0.67 3.08 -0.41 0.00 0.08 -1.26 -1.69 117.98 118.46 1wb9 s PHE 758 Ca -0.07 0.03 0.23 0.00 0.12 0.00 0.00 56.93 57.24 1wb9 s PHE 758 Cb -0.15 -3.30 0.30 0.00 -0.57 0.00 0.00 43.02 39.30 1wb9 s PHE 758 CO 0.02 -0.82 1.56 0.52 -0.10 0.00 0.00 175.22 176.41 1wb9 h MET 759 N 8.79 0.00 -2.51 0.44 2.86 -1.83 -3.48 114.93 119.20 1wb9 h MET 759 Ca -0.26 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 56.99 1wb9 h MET 759 Cb 1.10 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.72 1wb9 h MET 759 CO 0.88 0.03 -0.48 0.72 1.06 0.00 0.00 176.91 179.11 1wb9 n HIS 760 N -3.08 -0.79 -4.84 -0.22 -0.00 -1.25 -4.94 115.22 100.11 1wb9 n HIS 760 Ca 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.43 1wb9 n HIS 760 Cb 0.54 -3.72 -0.14 0.00 -0.00 0.00 0.00 29.99 26.67 1wb9 n HIS 760 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1wb9 s SER 761 N -2.22 3.93 -0.08 0.41 1.04 -1.26 -4.81 113.70 110.71 1wb9 s SER 761 Ca 0.00 -0.33 -0.25 0.00 0.48 0.00 0.00 55.95 55.85 1wb9 s SER 761 Cb 0.00 -1.48 -0.03 0.00 0.10 0.00 0.00 66.02 64.61 1wb9 s SER 761 CO 0.00 0.19 0.76 -0.69 0.98 0.00 0.00 173.24 174.48 1wb9 s VAL 762 N 0.19 4.99 0.11 5.02 1.01 -1.26 -0.95 120.40 129.51 1wb9 s VAL 762 Ca -0.08 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.53 1wb9 s VAL 762 Cb -0.15 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1wb9 s VAL 762 CO 0.05 0.20 -0.17 -1.10 0.00 0.00 0.00 175.10 174.08 1wb9 s GLN 763 N 1.08 1.03 0.53 2.72 -1.52 -0.52 -4.86 119.66 118.12 1wb9 s GLN 763 Ca 0.40 -1.17 -0.20 0.00 -1.95 0.00 0.00 55.36 52.44 1wb9 s GLN 763 Cb -0.18 -1.08 -0.06 0.00 -0.22 0.00 0.00 33.01 31.48 1wb9 s GLN 763 CO 0.19 0.23 1.16 -0.51 -0.25 0.00 0.00 175.29 176.11 1wb9 s ASP 764 N -2.15 5.72 0.00 5.90 1.11 -1.26 -1.35 116.67 124.64 1wb9 s ASP 764 Ca 0.06 2.27 0.00 0.00 0.18 0.00 0.00 52.55 55.06 1wb9 s ASP 764 Cb -0.08 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.32 1wb9 s ASP 764 CO 0.04 -1.23 0.00 0.61 1.18 0.00 0.00 175.17 175.77 1wb9 n GLY 765 N 0.32 -0.44 3.85 0.21 0.00 0.14 -4.80 105.19 104.47 1wb9 n GLY 765 Ca 0.11 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 1wb9 n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wb9 s ALA 766 N -1.75 3.25 0.71 4.61 0.00 -1.26 -3.31 121.76 124.00 1wb9 s ALA 766 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 1wb9 s ALA 766 Cb 0.00 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1wb9 s ALA 766 CO 0.00 0.06 0.78 0.00 0.00 0.00 0.00 175.76 176.60 1wb9 n ALA 767 N -1.00 -0.74 0.05 0.00 0.00 -1.26 -4.87 120.51 112.69 1wb9 n ALA 767 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1wb9 n ALA 767 Cb 0.54 -2.00 0.35 0.00 0.00 0.00 0.00 19.45 18.33 1wb9 n ALA 767 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1wb9 h SER 768 N -0.24 0.37 -5.22 0.00 0.02 -1.99 -3.45 113.55 103.04 1wb9 h SER 768 Ca -0.47 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.34 1wb9 h SER 768 Cb 1.34 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 1wb9 h SER 768 CO 0.45 0.47 0.00 -1.59 -1.14 0.00 0.00 176.83 175.03 1wb9 s LYS 769 N -4.89 1.81 0.30 3.45 -2.85 -1.26 -5.17 119.74 111.14 1wb9 s LYS 769 Ca -0.07 -1.36 0.06 0.00 -1.00 0.00 0.00 55.97 53.60 1wb9 s LYS 769 Cb 0.16 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.43 1wb9 s LYS 769 CO 0.75 -0.79 0.40 -1.54 0.10 0.00 0.00 175.35 174.27 1wb9 s SER 770 N -3.06 5.99 -0.06 0.03 1.04 -1.26 -4.93 113.70 111.45 1wb9 s SER 770 Ca 0.21 -0.14 0.10 0.00 0.48 0.00 0.00 55.95 56.60 1wb9 s SER 770 Cb -0.02 -1.42 0.17 0.00 0.10 0.00 0.00 66.02 64.85 1wb9 s SER 770 CO 0.12 -0.29 1.09 -1.22 0.98 0.00 0.00 173.24 173.92 1wb9 n TYR 771 N -1.52 0.00 -0.28 5.02 4.01 -1.26 -4.84 117.16 118.29 1wb9 n TYR 771 Ca -0.04 -0.53 0.09 0.00 -0.16 0.00 0.00 57.90 57.26 1wb9 n TYR 771 Cb 0.58 -0.11 0.23 0.00 -0.31 0.00 0.00 39.34 39.73 1wb9 n TYR 771 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1wb9 h GLY 772 N 0.14 1.26 1.31 2.72 0.00 -1.99 -0.56 103.07 105.96 1wb9 h GLY 772 Ca -0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1wb9 h GLY 772 CO 0.01 -0.20 -0.05 1.41 0.00 0.00 0.00 176.54 177.71 1wb9 h LEU 773 N 0.37 0.80 -0.33 3.11 4.07 -1.99 -0.74 115.31 120.60 1wb9 h LEU 773 Ca 0.47 -0.22 -0.19 0.00 0.08 0.00 0.00 57.88 58.03 1wb9 h LEU 773 Cb 0.82 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1wb9 h LEU 773 CO -0.49 0.90 -0.59 0.00 -1.08 0.00 0.00 178.44 177.18 1wb9 h ALA 774 N 1.19 0.50 -0.31 1.53 0.00 -1.65 -0.51 119.26 120.01 1wb9 h ALA 774 Ca 0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1wb9 h ALA 774 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wb9 h ALA 774 CO 0.03 0.69 0.04 0.28 0.00 0.00 0.00 179.25 180.29 1wb9 h VAL 775 N 0.58 1.24 -0.91 0.00 2.07 -1.02 -1.18 116.25 117.03 1wb9 h VAL 775 Ca 0.00 -0.84 0.11 0.00 0.82 0.00 0.00 66.70 66.79 1wb9 h VAL 775 Cb 1.18 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 1wb9 h VAL 775 CO 0.12 0.28 0.54 0.00 0.02 0.00 0.00 177.57 178.53 1wb9 h ALA 776 N 0.87 1.33 -0.47 1.67 0.00 -0.99 -0.68 119.26 121.00 1wb9 h ALA 776 Ca 0.09 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1wb9 h ALA 776 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wb9 h ALA 776 CO 0.01 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.50 1wb9 h ALA 777 N 1.50 0.62 -0.97 0.00 0.00 -0.81 -2.51 119.26 117.08 1wb9 h ALA 777 Ca 0.45 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1wb9 h ALA 777 Cb 0.43 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1wb9 h ALA 777 CO -0.26 0.33 0.63 1.25 0.00 0.00 0.00 179.25 181.20 1wb9 h LEU 778 N 0.64 1.01 -0.77 0.00 5.85 -0.75 -1.48 115.31 119.80 1wb9 h LEU 778 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1wb9 h LEU 778 Cb 0.37 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1wb9 h LEU 778 CO 0.01 0.65 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 1wb9 n ALA 779 N -2.36 1.59 0.00 1.25 0.00 -0.30 -4.90 120.51 115.79 1wb9 n ALA 779 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1wb9 n ALA 779 Cb 0.17 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1wb9 n ALA 779 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wb9 n GLY 780 N -0.15 0.97 3.73 0.00 0.00 -0.56 -5.08 105.19 104.11 1wb9 n GLY 780 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1wb9 n GLY 780 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wb9 n VAL 781 N -0.77 0.65 -1.62 1.61 0.31 -1.03 -4.85 118.33 112.62 1wb9 n VAL 781 Ca 0.00 -0.16 -0.46 0.00 -0.01 0.00 0.00 64.34 63.70 1wb9 n VAL 781 Cb 0.00 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 1wb9 n VAL 781 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1wb9 n PRO 782 N 2.77 1.59 -0.28 5.55 -0.02 -1.26 -4.71 135.00 138.64 1wb9 n PRO 782 Ca 0.11 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.25 1wb9 n PRO 782 Cb 0.35 -2.12 0.24 0.00 -0.02 0.00 0.00 33.50 31.96 1wb9 n PRO 782 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1wb9 h LYS 783 N 3.51 0.36 -0.45 -0.52 1.57 -1.97 0.44 116.57 119.52 1wb9 h LYS 783 Ca -0.44 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.40 1wb9 h LYS 783 Cb 1.31 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1wb9 h LYS 783 CO 0.71 0.24 0.30 1.05 -0.57 0.00 0.00 179.45 181.18 1wb9 h GLU 784 N 0.37 0.28 0.07 3.15 9.09 -1.99 0.18 114.58 125.73 1wb9 h GLU 784 Ca 0.49 -0.02 -0.28 0.00 0.05 0.00 0.00 59.36 59.60 1wb9 h GLU 784 Cb 0.86 -0.06 0.02 0.00 -1.65 0.00 0.00 28.75 27.92 1wb9 h GLU 784 CO -0.50 0.19 -1.15 0.28 0.05 0.00 0.00 179.01 177.87 1wb9 h VAL 785 N 0.29 1.31 -0.79 -1.06 2.07 -1.27 -2.90 116.25 113.89 1wb9 h VAL 785 Ca 0.20 -2.43 -0.04 0.00 0.82 0.00 0.00 66.70 65.25 1wb9 h VAL 785 Cb 0.42 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 1wb9 h VAL 785 CO -0.04 0.74 0.35 0.40 0.02 0.00 0.00 177.57 179.03 1wb9 h ILE 786 N 0.30 1.25 -0.40 4.57 1.08 -0.81 -0.90 117.51 122.61 1wb9 h ILE 786 Ca -0.16 -0.76 0.03 0.00 -0.39 0.00 0.00 64.86 63.58 1wb9 h ILE 786 Cb 1.82 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 1wb9 h ILE 786 CO 0.22 0.32 0.20 0.50 -0.69 0.00 0.00 178.15 178.70 1wb9 h LYS 787 N 1.14 0.40 -0.24 2.37 3.64 -0.69 -0.38 116.57 122.82 1wb9 h LYS 787 Ca 0.27 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.49 1wb9 h LYS 787 Cb 0.17 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1wb9 h LYS 787 CO -0.03 0.26 -0.43 -0.09 -2.27 0.00 0.00 179.45 176.90 1wb9 h ARG 788 N 0.41 0.58 -0.72 1.90 9.65 -1.30 -2.74 114.38 122.16 1wb9 h ARG 788 Ca 0.17 -0.31 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 1wb9 h ARG 788 Cb 0.06 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 1wb9 h ARG 788 CO -0.11 0.90 0.33 0.00 2.80 0.00 0.00 179.97 183.89 1wb9 h ALA 789 N 1.05 0.93 -0.36 2.80 0.00 -0.73 -0.89 119.26 122.07 1wb9 h ALA 789 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1wb9 h ALA 789 Cb 0.94 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1wb9 h ALA 789 CO 0.08 0.51 0.12 -0.09 0.00 0.00 0.00 179.25 179.88 1wb9 h ARG 790 N 1.02 0.50 -0.12 0.00 2.43 -0.99 0.16 114.38 117.38 1wb9 h ARG 790 Ca 0.25 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1wb9 h ARG 790 Cb 0.15 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1wb9 h ARG 790 CO -0.03 0.44 -0.07 0.37 -1.51 0.00 0.00 179.97 179.16 1wb9 h GLN 791 N 0.50 0.27 -0.98 0.20 4.15 -1.15 -2.19 115.11 115.91 1wb9 h GLN 791 Ca 0.12 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1wb9 h GLN 791 Cb 0.13 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 1wb9 h GLN 791 CO -0.01 0.62 0.62 -0.22 -1.93 0.00 0.00 178.83 177.92 1wb9 h LYS 792 N -0.09 1.30 -0.94 1.69 1.63 -0.76 -2.54 116.57 116.85 1wb9 h LYS 792 Ca 0.03 -0.10 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1wb9 h LYS 792 Cb 0.55 -0.29 -0.05 0.00 -0.60 0.00 0.00 32.23 31.84 1wb9 h LYS 792 CO 0.02 0.88 0.62 1.25 -3.45 0.00 0.00 179.45 178.77 1wb9 h LEU 793 N 1.34 1.02 -1.13 5.20 5.85 -0.86 -1.74 115.31 124.99 1wb9 h LEU 793 Ca 0.35 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 1wb9 h LEU 793 Cb -0.11 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1wb9 h LEU 793 CO -0.07 0.69 -0.32 0.03 -0.34 0.00 0.00 178.44 178.43 1wb9 h ARG 794 N 1.18 0.21 0.20 1.25 3.08 -0.98 0.39 114.38 119.70 1wb9 h ARG 794 Ca 0.38 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1wb9 h ARG 794 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1wb9 h ARG 794 CO -0.12 0.51 -0.10 0.93 -1.07 0.00 0.00 179.97 180.12 1wb9 h GLU 795 N 0.18 -0.26 -0.93 0.04 5.08 -1.17 -2.54 114.58 114.98 1wb9 h GLU 795 Ca 0.02 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1wb9 h GLU 795 Cb 0.66 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1wb9 h GLU 795 CO 0.05 -0.06 0.62 -0.07 -1.00 0.00 0.00 179.01 178.55 1wb9 h LEU 796 N -0.43 1.05 -0.61 1.33 3.38 -0.97 -1.96 115.31 117.10 1wb9 h LEU 796 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wb9 h LEU 796 Cb 0.33 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wb9 h LEU 796 CO 0.05 0.75 0.00 -0.33 0.09 0.00 0.00 178.44 179.00 1wb9 h GLU 797 N 1.24 0.00 -0.00 1.13 5.08 -0.88 -2.69 114.58 118.45 1wb9 h GLU 797 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1wb9 h GLU 797 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1wb9 h GLU 797 CO -0.09 0.00 -0.06 -1.13 -1.00 0.00 0.00 179.01 176.73 1wb9 n SER 798 N -2.47 0.20 -0.09 1.42 3.41 -0.74 -4.08 113.62 111.26 1wb9 n SER 798 Ca 0.03 -0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 58.28 1wb9 n SER 798 Cb 0.32 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 1wb9 n SER 798 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1wb9 h ILE 799 N 0.22 1.13 -0.02 -1.33 2.04 -1.54 -3.52 117.51 114.49 1wb9 h ILE 799 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1wb9 h ILE 799 Cb 0.34 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1wb9 h ILE 799 CO 0.00 0.13 0.00 -1.20 0.00 0.00 0.00 178.15 177.08