#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbd h GLN 15 N 0.00 0.00 0.00 3.17 1.08 -2.08 -3.31 115.11 113.97 1wbd h GLN 15 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1wbd h GLN 15 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1wbd h GLN 15 CO 0.00 0.35 -0.32 0.37 -0.95 0.00 0.00 178.83 178.28 1wbd h GLN 16 N 0.00 0.00 -0.23 1.46 4.15 -2.04 -3.28 115.11 115.18 1wbd h GLN 16 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1wbd h GLN 16 Cb 1.30 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.98 1wbd h GLN 16 CO 0.05 0.32 0.12 -0.92 -1.93 0.00 0.00 178.83 176.46 1wbd h TYR 17 N 0.00 0.23 -0.77 3.99 5.03 -2.01 -3.08 116.97 120.35 1wbd h TYR 17 Ca -0.00 0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.48 1wbd h TYR 17 Cb 0.99 -0.07 -0.11 0.00 1.55 0.00 0.00 36.73 39.09 1wbd h TYR 17 CO 0.00 0.13 0.26 -0.07 -1.32 0.00 0.00 178.16 177.16 1wbd h LEU 18 N 0.26 0.16 -1.04 2.82 3.38 -1.76 -0.83 115.31 118.30 1wbd h LEU 18 Ca 0.09 0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1wbd h LEU 18 Cb 0.01 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wbd h LEU 18 CO -0.05 0.02 -0.40 0.03 0.09 0.00 0.00 178.44 178.13 1wbd h ARG 19 N 0.35 0.00 0.00 1.13 3.08 -1.71 -2.30 114.38 114.93 1wbd h ARG 19 Ca 0.44 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.34 1wbd h ARG 19 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1wbd h ARG 19 CO -0.48 0.40 -0.89 -0.07 -1.07 0.00 0.00 179.97 177.87 1wbd h LEU 20 N 0.00 0.00 -0.59 3.04 3.38 -1.30 -3.30 115.31 116.54 1wbd h LEU 20 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1wbd h LEU 20 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1wbd h LEU 20 CO 0.05 0.64 -0.52 0.50 0.09 0.00 0.00 178.44 179.19 1wbd h LYS 21 N 0.00 0.50 -0.32 1.13 1.63 -0.87 -2.99 116.57 115.66 1wbd h LYS 21 Ca -0.06 -0.30 -0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1wbd h LYS 21 Cb 1.54 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.18 1wbd h LYS 21 CO 0.07 0.90 0.20 0.00 -3.45 0.00 0.00 179.45 177.17 1wbd h ALA 22 N 1.04 1.74 -0.79 5.00 0.00 -1.52 -2.75 119.26 121.99 1wbd h ALA 22 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wbd h ALA 22 Cb 1.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1wbd h ALA 22 CO 0.10 0.23 0.52 1.96 0.00 0.00 0.00 179.25 182.06 1wbd h GLN 23 N 0.44 0.99 -2.41 0.00 4.20 -1.59 -3.33 115.11 113.41 1wbd h GLN 23 Ca 0.12 -0.06 -0.59 0.00 0.06 0.00 0.00 58.65 58.18 1wbd h GLN 23 Cb -0.02 -0.22 -0.38 0.00 0.30 0.00 0.00 27.48 27.15 1wbd h GLN 23 CO -0.02 0.66 -0.95 -1.01 -0.67 0.00 0.00 178.83 176.83 1wbd s HIS 24 N -5.86 1.00 -1.68 2.96 3.76 -1.10 -5.03 115.29 109.35 1wbd s HIS 24 Ca -0.11 -2.18 0.31 0.00 -0.15 0.00 0.00 55.06 52.93 1wbd s HIS 24 Cb 0.18 -0.91 1.61 0.00 1.11 0.00 0.00 32.58 34.57 1wbd s HIS 24 CO 0.79 -0.83 2.09 -0.35 -0.85 0.00 0.00 174.74 175.58 1wbd n PRO 25 N 3.10 0.69 0.01 8.40 -0.04 -1.06 -3.21 135.00 142.89 1wbd n PRO 25 Ca 0.26 -0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 1wbd n PRO 25 Cb 0.46 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1wbd n PRO 25 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wbd n GLU 26 N -1.11 0.22 -4.59 0.54 0.00 -1.26 -4.98 120.64 109.45 1wbd n GLU 26 Ca 0.18 -0.04 -0.31 0.00 0.00 0.00 0.00 57.16 56.99 1wbd n GLU 26 Cb 0.20 -1.53 -0.12 0.00 0.00 0.00 0.00 31.44 29.99 1wbd n GLU 26 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1wbd s ILE 27 N -3.16 2.94 0.28 3.84 1.01 -1.20 -4.93 121.20 119.98 1wbd s ILE 27 Ca 0.04 -1.15 -0.29 0.00 0.00 0.00 0.00 60.65 59.24 1wbd s ILE 27 Cb 0.15 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 40.26 1wbd s ILE 27 CO 0.85 0.32 1.33 -0.76 0.00 0.00 0.00 174.94 176.68 1wbd s LEU 28 N -1.51 4.42 -0.35 2.97 1.43 -1.18 -4.80 118.68 119.65 1wbd s LEU 28 Ca 0.15 2.62 -0.04 0.00 -1.03 0.00 0.00 54.13 55.83 1wbd s LEU 28 Cb -0.11 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.55 1wbd s LEU 28 CO 0.06 -0.56 0.11 -0.22 0.23 0.00 0.00 176.35 175.97 1wbd s LEU 29 N -1.10 4.53 -0.01 1.79 2.96 -1.26 -0.79 118.68 124.81 1wbd s LEU 29 Ca 0.53 -1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 52.62 1wbd s LEU 29 Cb -0.39 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1wbd s LEU 29 CO 0.47 -0.39 1.20 -0.36 -1.32 0.00 0.00 176.35 175.95 1wbd s PHE 30 N 1.26 3.29 -0.32 5.38 0.40 -0.43 -4.42 117.98 123.14 1wbd s PHE 30 Ca 0.01 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.59 1wbd s PHE 30 Cb -0.21 -3.41 0.10 0.00 0.51 0.00 0.00 43.02 40.01 1wbd s PHE 30 CO -0.01 -1.28 0.10 -0.47 0.70 0.00 0.00 175.22 174.26 1wbd s TYR 31 N 1.74 2.00 0.17 0.36 5.04 -0.58 -0.45 117.35 125.64 1wbd s TYR 31 Ca 0.57 -1.95 -0.33 0.00 -2.44 0.00 0.00 57.07 52.91 1wbd s TYR 31 Cb -0.26 -1.89 -0.14 0.00 0.35 0.00 0.00 41.96 40.02 1wbd s TYR 31 CO 0.25 -0.88 1.49 -2.13 -1.34 0.00 0.00 175.55 172.94 1wbd n ARG 32 N 4.68 1.98 -3.20 4.97 3.00 -0.73 -1.95 116.66 125.41 1wbd n ARG 32 Ca -0.00 0.71 0.02 0.00 -0.00 0.00 0.00 57.85 58.58 1wbd n ARG 32 Cb 0.41 -2.43 -0.02 0.00 0.00 0.00 0.00 32.46 30.42 1wbd n ARG 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wbd s MET 33 N 0.47 0.54 7.31 -0.14 0.00 -0.45 -4.93 119.30 122.10 1wbd s MET 33 Ca 0.76 0.96 0.00 0.00 0.00 0.00 0.00 55.69 57.41 1wbd s MET 33 Cb -0.71 0.42 0.00 0.00 0.00 0.00 0.00 34.83 34.54 1wbd s MET 33 CO 0.42 -0.61 0.00 0.41 0.00 0.00 0.00 175.02 175.24 1wbd n GLY 34 N 5.42 2.46 0.03 3.16 0.00 -1.26 -2.59 105.19 112.41 1wbd n GLY 34 Ca -0.02 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.84 1wbd n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wbd n ASP 35 N 6.14 0.12 -4.47 1.61 8.00 -1.26 -4.93 116.55 121.76 1wbd n ASP 35 Ca 0.00 -0.20 -0.27 0.00 0.71 0.00 0.00 54.79 55.04 1wbd n ASP 35 Cb 0.00 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 40.75 1wbd n ASP 35 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1wbd s PHE 36 N -2.59 2.40 -0.16 1.24 0.08 -1.07 0.78 117.98 118.67 1wbd s PHE 36 Ca 0.27 -0.32 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 1wbd s PHE 36 Cb 0.20 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.44 1wbd s PHE 36 CO 0.48 0.52 0.12 0.71 -0.10 0.00 0.00 175.22 176.95 1wbd s TYR 37 N -1.76 3.45 0.08 0.36 2.02 -0.77 -1.34 117.35 119.38 1wbd s TYR 37 Ca 0.23 0.37 0.10 0.00 -0.37 0.00 0.00 57.07 57.40 1wbd s TYR 37 Cb -0.08 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 1wbd s TYR 37 CO 0.12 0.48 -0.27 -1.14 -1.57 0.00 0.00 175.55 173.17 1wbd s GLN 38 N -0.32 1.64 0.02 -0.62 2.00 -0.82 -1.92 119.66 119.63 1wbd s GLN 38 Ca 0.11 -1.20 0.08 0.00 -2.00 0.00 0.00 55.36 52.35 1wbd s GLN 38 Cb -0.12 -1.94 -0.02 0.00 0.80 0.00 0.00 33.01 31.73 1wbd s GLN 38 CO 0.01 0.49 -0.24 -0.51 -0.50 0.00 0.00 175.29 174.54 1wbd s LEU 39 N -1.56 2.12 0.20 3.68 1.02 -0.43 -1.53 118.68 122.19 1wbd s LEU 39 Ca 0.13 -0.52 0.07 0.00 0.02 0.00 0.00 54.13 53.83 1wbd s LEU 39 Cb -0.10 -1.19 -0.05 0.00 0.02 0.00 0.00 46.19 44.87 1wbd s LEU 39 CO 0.04 0.25 -0.11 -0.36 0.02 0.00 0.00 176.35 176.18 1wbd s PHE 40 N -0.71 1.62 0.00 0.29 0.08 -1.26 -2.64 117.98 115.36 1wbd s PHE 40 Ca 0.10 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.49 1wbd s PHE 40 Cb -0.09 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.55 1wbd s PHE 40 CO 0.01 0.26 0.00 0.66 -0.10 0.00 0.00 175.22 176.05 1wbd n TYR 41 N -0.36 0.00 0.46 0.36 4.02 -1.05 -2.36 117.16 118.23 1wbd n TYR 41 Ca -0.08 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.94 1wbd n TYR 41 Cb 0.61 0.00 0.40 0.00 -0.02 0.00 0.00 39.34 40.33 1wbd n TYR 41 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1wbd h ASP 42 N 0.00 0.00 -0.21 7.72 3.32 -1.97 -2.81 116.42 122.47 1wbd h ASP 42 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1wbd h ASP 42 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1wbd h ASP 42 CO 0.00 0.00 -0.08 0.44 -1.72 0.00 0.00 179.24 177.88 1wbd h ASP 43 N 0.00 0.43 -0.57 6.45 3.32 -1.85 -2.53 116.42 121.68 1wbd h ASP 43 Ca 0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1wbd h ASP 43 Cb 0.71 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1wbd h ASP 43 CO 0.00 0.73 0.31 0.00 -1.72 0.00 0.00 179.24 178.56 1wbd h ALA 44 N 0.71 0.73 0.37 3.45 0.00 -1.51 -1.10 119.26 121.92 1wbd h ALA 44 Ca 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1wbd h ALA 44 Cb 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wbd h ALA 44 CO 0.03 0.25 -0.18 0.87 0.00 0.00 0.00 179.25 180.22 1wbd h LYS 45 N 0.77 -0.48 0.00 0.00 1.57 -1.56 -2.14 116.57 114.73 1wbd h LYS 45 Ca 0.20 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1wbd h LYS 45 Cb 0.05 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1wbd h LYS 45 CO -0.03 -0.27 -0.17 -0.09 -0.57 0.00 0.00 179.45 178.32 1wbd h ARG 46 N -0.60 0.00 0.00 3.15 1.12 -1.43 -3.03 114.38 113.59 1wbd h ARG 46 Ca -0.05 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.64 1wbd h ARG 46 Cb 0.44 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.37 1wbd h ARG 46 CO 0.08 0.17 -1.02 0.00 -3.11 0.00 0.00 179.97 176.10 1wbd h ALA 47 N 1.83 0.57 0.02 2.80 0.00 -0.98 -3.03 119.26 120.46 1wbd h ALA 47 Ca -0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 54.91 53.82 1wbd h ALA 47 Cb 0.40 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wbd h ALA 47 CO 0.02 1.05 -1.03 0.66 0.00 0.00 0.00 179.25 179.95 1wbd h SER 48 N 0.00 0.68 0.99 0.00 4.64 -1.26 -1.84 113.55 116.76 1wbd h SER 48 Ca -0.07 -0.56 -0.12 0.00 -0.47 0.00 0.00 61.79 60.57 1wbd h SER 48 Cb 1.65 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.52 1wbd h SER 48 CO 0.09 1.37 -0.55 0.06 -0.87 0.00 0.00 176.83 176.92 1wbd h GLN 49 N 0.27 0.00 0.10 4.77 3.07 -1.69 -2.67 115.11 118.96 1wbd h GLN 49 Ca -0.11 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.37 1wbd h GLN 49 Cb 1.68 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.23 1wbd h GLN 49 CO 0.19 0.55 -1.20 -0.07 0.09 0.00 0.00 178.83 178.39 1wbd h LEU 50 N 0.00 0.32 0.00 0.06 3.38 -1.47 -3.40 115.31 114.20 1wbd h LEU 50 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1wbd h LEU 50 Cb 1.20 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1wbd h LEU 50 CO 0.07 1.27 -1.09 0.18 0.09 0.00 0.00 178.44 178.97 1wbd n LEU 51 N -3.48 0.05 -2.20 1.67 4.77 -0.70 -4.98 117.00 112.13 1wbd n LEU 51 Ca -0.07 -0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 55.81 1wbd n LEU 51 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1wbd n LEU 51 CO 0.52 0.01 -0.22 -0.67 -1.33 0.00 0.00 177.39 175.71 1wbd n ASP 52 N -1.60 -5.39 -3.87 -1.43 -0.08 -1.01 -5.07 116.55 98.09 1wbd n ASP 52 Ca -0.01 0.71 -0.08 0.00 -1.51 0.00 0.00 54.79 53.90 1wbd n ASP 52 Cb 0.14 -3.46 -0.03 0.00 2.34 0.00 0.00 41.12 40.12 1wbd n ASP 52 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1wbd s ILE 53 N -1.13 0.00 0.55 5.18 -4.36 -1.20 -5.06 121.20 115.19 1wbd s ILE 53 Ca 0.03 -1.04 0.06 0.00 -0.26 0.00 0.00 60.65 59.44 1wbd s ILE 53 Cb -0.01 -2.00 0.06 0.00 1.25 0.00 0.00 42.46 41.76 1wbd s ILE 53 CO 0.44 -0.00 0.75 -0.44 0.24 0.00 0.00 174.94 175.93 1wbd s SER 54 N -2.93 5.17 0.47 4.36 0.01 -1.26 -4.65 113.70 114.87 1wbd s SER 54 Ca 0.13 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1wbd s SER 54 Cb -0.05 -0.20 0.04 0.00 0.21 0.00 0.00 66.02 66.02 1wbd s SER 54 CO 0.07 -1.22 0.34 0.18 0.41 0.00 0.00 173.24 173.01 1wbd n LEU 55 N -2.23 0.00 0.07 2.44 7.99 -1.26 -4.23 117.00 119.78 1wbd n LEU 55 Ca 0.12 -2.45 0.00 0.00 -0.01 0.00 0.00 56.01 53.67 1wbd n LEU 55 Cb 0.60 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1wbd n LEU 55 CO 0.41 -0.53 0.00 0.41 -1.51 0.00 0.00 177.39 176.16 1wbd n THR 56 N -1.58 0.00 -3.39 -5.08 -1.04 -1.26 -4.86 114.28 97.08 1wbd n THR 56 Ca -0.02 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.53 1wbd n THR 56 Cb 0.53 -0.15 -0.03 0.00 -1.82 0.00 0.00 70.33 68.87 1wbd n THR 56 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1wbd s PRO 67 N -1.39 3.59 -0.04 -2.82 0.02 -1.26 -5.18 135.00 127.93 1wbd s PRO 67 Ca 0.00 -2.65 0.02 0.00 0.02 0.00 0.00 61.00 58.40 1wbd s PRO 67 Cb 0.00 -4.36 0.01 0.00 0.02 0.00 0.00 34.50 30.17 1wbd s PRO 67 CO 0.00 -1.27 -0.10 -1.64 -0.33 0.00 0.00 177.00 173.66 1wbd s MET 68 N -0.19 1.20 0.17 5.54 -1.94 -1.26 -2.53 119.30 120.29 1wbd s MET 68 Ca 0.21 -0.33 0.07 0.00 -1.71 0.00 0.00 55.69 53.93 1wbd s MET 68 Cb -0.11 -1.08 -0.04 0.00 2.01 0.00 0.00 34.83 35.61 1wbd s MET 68 CO -0.08 0.07 -0.15 0.00 -0.01 0.00 0.00 175.02 174.85 1wbd s ALA 69 N 0.42 1.81 0.08 3.03 0.00 -1.08 -4.18 121.76 121.83 1wbd s ALA 69 Ca -0.08 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 1wbd s ALA 69 Cb -0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1wbd s ALA 69 CO 0.01 0.10 0.19 0.20 0.00 0.00 0.00 175.76 176.26 1wbd s GLY 70 N -2.90 0.09 0.06 0.00 0.00 -1.26 -1.32 107.32 101.99 1wbd s GLY 70 Ca 0.16 -0.57 0.08 0.00 0.00 0.00 0.00 44.72 44.39 1wbd s GLY 70 CO 0.05 -0.75 -0.22 -0.26 0.00 0.00 0.00 173.10 171.91 1wbd s ILE 71 N -3.63 1.80 0.61 0.90 -4.36 -0.81 -4.92 121.20 110.80 1wbd s ILE 71 Ca 0.03 -1.32 -0.17 0.00 -0.26 0.00 0.00 60.65 58.94 1wbd s ILE 71 Cb 0.04 -1.57 -0.02 0.00 1.25 0.00 0.00 42.46 42.15 1wbd s ILE 71 CO -0.10 0.20 1.12 -2.16 0.24 0.00 0.00 174.94 174.24 1wbd s PRO 72 N -1.34 3.02 0.25 0.37 0.04 -1.26 -1.84 135.00 134.24 1wbd s PRO 72 Ca 0.09 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.63 1wbd s PRO 72 Cb -0.09 -1.97 0.29 0.00 0.04 0.00 0.00 34.50 32.77 1wbd s PRO 72 CO 0.02 -1.09 1.60 -0.92 0.04 0.00 0.00 177.00 176.65 1wbd h TYR 73 N 0.47 0.37 0.00 0.56 3.20 0.01 -3.02 116.97 118.56 1wbd h TYR 73 Ca -0.48 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1wbd h TYR 73 Cb 1.25 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1wbd h TYR 73 CO 0.53 0.76 0.00 -2.39 -1.64 0.00 0.00 178.16 175.43 1wbd n HIS 74 N -3.94 0.00 -1.08 -3.82 1.44 -1.26 -3.13 115.22 103.43 1wbd n HIS 74 Ca -0.02 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.73 1wbd n HIS 74 Cb 0.57 -0.32 0.05 0.00 0.12 0.00 0.00 29.99 30.41 1wbd n HIS 74 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wbd n ALA 75 N -1.32 1.96 -0.28 1.59 0.00 -1.14 -4.87 120.51 116.45 1wbd n ALA 75 Ca 0.09 -1.56 -0.05 0.00 0.00 0.00 0.00 53.44 51.93 1wbd n ALA 75 Cb 0.18 -0.28 0.07 0.00 0.00 0.00 0.00 19.45 19.42 1wbd n ALA 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wbd h VAL 76 N 2.27 1.22 -0.32 0.00 2.07 -1.54 -1.92 116.25 118.03 1wbd h VAL 76 Ca 0.00 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1wbd h VAL 76 Cb 1.00 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1wbd h VAL 76 CO 0.00 0.22 0.09 -0.33 0.02 0.00 0.00 177.57 177.57 1wbd h GLU 77 N 1.06 0.46 -0.29 1.57 4.39 -1.89 0.01 114.58 119.90 1wbd h GLU 77 Ca 0.28 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1wbd h GLU 77 Cb -0.05 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1wbd h GLU 77 CO -0.05 0.42 0.13 -0.91 -1.16 0.00 0.00 179.01 177.44 1wbd h ASN 78 N 0.45 0.38 1.63 1.42 4.21 -1.68 -0.99 115.58 121.00 1wbd h ASN 78 Ca 0.11 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1wbd h ASN 78 Cb 0.16 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1wbd h ASN 78 CO -0.01 0.41 0.00 1.88 -1.29 0.00 0.00 177.43 178.42 1wbd h TYR 79 N 0.33 0.00 -0.20 1.19 0.05 -1.24 -2.02 116.97 115.08 1wbd h TYR 79 Ca 0.10 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 1wbd h TYR 79 Cb 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 1wbd h TYR 79 CO -0.02 0.00 -0.22 -0.07 -1.05 0.00 0.00 178.16 176.80 1wbd h LEU 80 N 0.00 0.54 -1.35 3.88 3.38 -0.89 -2.77 115.31 118.10 1wbd h LEU 80 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1wbd h LEU 80 Cb 0.81 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1wbd h LEU 80 CO 0.00 0.92 0.41 0.00 0.09 0.00 0.00 178.44 179.86 1wbd h ALA 81 N 0.64 1.53 0.06 1.53 0.00 -0.85 0.18 119.26 122.34 1wbd h ALA 81 Ca 0.03 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 1wbd h ALA 81 Cb 0.77 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1wbd h ALA 81 CO 0.05 0.43 -1.09 0.87 0.00 0.00 0.00 179.25 179.51 1wbd h LYS 82 N 0.87 0.48 -0.07 0.00 1.57 -1.42 -1.29 116.57 116.71 1wbd h LYS 82 Ca 0.23 -0.60 -0.24 0.00 -1.87 0.00 0.00 60.65 58.18 1wbd h LYS 82 Cb -0.08 0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1wbd h LYS 82 CO -0.05 1.23 -0.90 -0.07 -0.57 0.00 0.00 179.45 179.09 1wbd h LEU 83 N 0.24 0.85 -0.87 2.94 3.38 -1.23 -2.97 115.31 117.65 1wbd h LEU 83 Ca -0.13 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.16 1wbd h LEU 83 Cb 1.75 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1wbd h LEU 83 CO 0.20 1.41 0.09 0.58 0.09 0.00 0.00 178.44 180.81 1wbd h VAL 84 N 0.43 1.25 0.00 1.22 2.07 -0.71 -1.14 116.25 119.35 1wbd h VAL 84 Ca -0.08 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1wbd h VAL 84 Cb 1.53 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1wbd h VAL 84 CO 0.18 0.35 0.00 -1.13 0.02 0.00 0.00 177.57 176.99 1wbd h ASN 85 N 0.88 0.00 -0.51 0.57 -0.73 -1.23 -2.83 115.58 111.73 1wbd h ASN 85 Ca 0.18 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1wbd h ASN 85 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.98 1wbd h ASN 85 CO 0.01 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.07 1wbd n GLN 86 N -2.97 2.62 -0.16 6.67 6.02 -0.87 -4.98 117.38 123.72 1wbd n GLN 86 Ca -0.01 -2.32 0.00 0.00 -0.01 0.00 0.00 57.00 54.66 1wbd n GLN 86 Cb 0.21 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1wbd n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wbd n GLY 87 N 1.20 0.83 3.65 1.08 0.00 -1.01 -4.51 105.19 106.43 1wbd n GLY 87 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1wbd n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbd s GLU 88 N -0.84 4.11 0.67 1.61 0.41 -0.49 -3.47 118.70 120.70 1wbd s GLU 88 Ca 0.00 0.07 -0.12 0.00 -0.41 0.00 0.00 54.97 54.50 1wbd s GLU 88 Cb 0.00 -3.57 -0.00 0.00 -1.78 0.00 0.00 34.13 28.78 1wbd s GLU 88 CO 0.00 -0.09 1.06 -1.12 -0.49 0.00 0.00 175.26 174.62 1wbd s SER 89 N 1.22 5.43 -0.11 -0.19 0.01 -1.26 -3.89 113.70 114.90 1wbd s SER 89 Ca 0.16 1.69 -0.05 0.00 1.31 0.00 0.00 55.95 59.06 1wbd s SER 89 Cb -0.15 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.63 1wbd s SER 89 CO 0.08 -1.41 0.24 -0.69 0.41 0.00 0.00 173.24 171.87 1wbd s VAL 90 N -2.86 -0.19 -0.10 3.43 1.01 -0.31 -3.13 120.40 118.25 1wbd s VAL 90 Ca 0.60 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.73 1wbd s VAL 90 Cb -0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1wbd s VAL 90 CO 0.50 0.09 0.15 0.00 0.00 0.00 0.00 175.10 175.83 1wbd s ALA 91 N 1.74 3.89 -0.09 5.51 0.00 0.03 -1.13 121.76 131.71 1wbd s ALA 91 Ca -0.05 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1wbd s ALA 91 Cb -0.11 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1wbd s ALA 91 CO -0.08 0.64 -0.14 0.42 0.00 0.00 0.00 175.76 176.61 1wbd s ILE 92 N -1.08 3.06 -0.08 0.00 1.01 0.86 -1.31 121.20 123.66 1wbd s ILE 92 Ca 0.17 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1wbd s ILE 92 Cb -0.12 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 1wbd s ILE 92 CO 0.07 0.56 -0.22 0.00 0.00 0.00 0.00 174.94 175.35 1wbd n GLU 94 N 3.20 1.97 -4.04 0.00 -0.58 -1.26 -1.78 120.64 118.15 1wbd n GLU 94 Ca -0.18 -0.09 -0.23 0.00 -0.42 0.00 0.00 57.16 56.24 1wbd n GLU 94 Cb 0.52 -0.44 -0.17 0.00 -0.57 0.00 0.00 31.44 30.79 1wbd n GLU 94 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1wbd s ARG 108 N -0.31 1.02 0.27 3.49 3.52 -1.26 -5.00 118.95 120.68 1wbd s ARG 108 Ca 0.00 -0.11 -0.19 0.00 -0.13 0.00 0.00 55.73 55.30 1wbd s ARG 108 Cb 0.00 -1.10 0.01 0.00 -1.56 0.00 0.00 34.95 32.30 1wbd s ARG 108 CO 0.00 -0.17 0.65 -1.59 -0.81 0.00 0.00 175.30 173.37 1wbd s LYS 109 N 1.36 1.71 -0.36 5.12 -2.85 -1.26 -5.08 119.74 118.38 1wbd s LYS 109 Ca -0.03 -1.06 -0.29 0.00 -1.00 0.00 0.00 55.97 53.59 1wbd s LYS 109 Cb -0.14 0.57 -0.00 0.00 -2.06 0.00 0.00 37.83 36.20 1wbd s LYS 109 CO -0.03 -0.77 1.55 0.08 0.10 0.00 0.00 175.35 176.29 1wbd s VAL 110 N -3.95 3.76 -0.12 1.79 1.01 -1.26 -4.44 120.40 117.18 1wbd s VAL 110 Ca 0.14 0.78 0.15 0.00 0.00 0.00 0.00 61.98 63.05 1wbd s VAL 110 Cb -0.04 -3.98 -0.21 0.00 0.00 0.00 0.00 36.38 32.14 1wbd s VAL 110 CO 0.07 -0.59 0.36 0.55 0.00 0.00 0.00 175.10 175.49 1wbd n VAL 111 N 7.10 0.00 -3.63 2.92 3.14 -0.46 -5.00 118.33 122.41 1wbd n VAL 111 Ca 0.19 -0.31 -0.15 0.00 -2.96 0.00 0.00 64.34 61.11 1wbd n VAL 111 Cb 0.47 0.30 -0.07 0.00 -1.06 0.00 0.00 33.84 33.48 1wbd n VAL 111 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1wbd s ARG 112 N -2.90 0.83 -0.01 1.45 3.52 -1.22 -5.04 118.95 115.57 1wbd s ARG 112 Ca -0.04 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 1wbd s ARG 112 Cb 0.10 0.39 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 1wbd s ARG 112 CO 0.60 -0.20 0.01 0.42 -0.81 0.00 0.00 175.30 175.31 1wbd s ILE 113 N -0.67 0.04 -0.16 4.11 1.01 -1.26 -0.10 121.20 124.17 1wbd s ILE 113 Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 1wbd s ILE 113 Cb -0.03 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.33 1wbd s ILE 113 CO 0.05 0.07 -0.13 0.68 0.00 0.00 0.00 174.94 175.61 1wbd s VAL 114 N 0.56 2.88 0.10 2.92 -7.23 -0.28 -4.98 120.40 114.37 1wbd s VAL 114 Ca -0.05 -0.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1wbd s VAL 114 Cb -0.07 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1wbd s VAL 114 CO -0.01 0.50 0.07 0.42 -0.31 0.00 0.00 175.10 175.77 1wbd s THR 115 N 0.84 4.39 0.43 5.32 -4.23 -1.26 -1.16 115.64 119.98 1wbd s THR 115 Ca -0.04 -0.89 0.13 0.00 -1.18 0.00 0.00 61.69 59.71 1wbd s THR 115 Cb -0.15 -3.14 0.18 0.00 1.34 0.00 0.00 72.50 70.73 1wbd s THR 115 CO 0.00 0.07 1.98 -0.65 -0.54 0.00 0.00 174.62 175.48 1wbd h PRO 116 N 3.15 0.09 -0.16 3.99 0.11 -1.83 -2.92 132.00 134.43 1wbd h PRO 116 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wbd h PRO 116 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wbd h PRO 116 CO 0.64 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 1wbd n GLY 117 N -1.01 0.91 0.14 -0.55 0.00 -1.26 -4.41 105.19 99.00 1wbd n GLY 117 Ca -0.02 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.45 1wbd n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wbd n THR 118 N 0.99 1.24 -2.47 2.61 -2.24 -1.10 -4.00 114.28 109.30 1wbd n THR 118 Ca 0.17 -1.45 -0.30 0.00 -2.27 0.00 0.00 64.05 60.20 1wbd n THR 118 Cb 0.51 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1wbd n THR 118 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1wbd s ILE 119 N -1.79 4.76 0.00 2.28 -4.36 -1.23 -4.89 121.20 115.97 1wbd s ILE 119 Ca 0.18 0.65 0.00 0.00 -0.26 0.00 0.00 60.65 61.22 1wbd s ILE 119 Cb 0.16 -3.80 0.00 0.00 1.25 0.00 0.00 42.46 40.06 1wbd s ILE 119 CO 0.02 -0.80 0.00 -1.54 0.24 0.00 0.00 174.94 172.85 1wbd n SER 120 N -1.99 0.00 -4.77 4.36 3.41 -1.26 -4.69 113.62 108.68 1wbd n SER 120 Ca 0.03 -0.64 -0.39 0.00 -0.26 0.00 0.00 58.87 57.62 1wbd n SER 120 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1wbd n SER 120 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wbd s ASP 121 N 0.00 7.40 0.50 4.04 1.01 -1.26 -4.84 116.67 123.52 1wbd s ASP 121 Ca 0.00 1.95 0.29 0.00 0.71 0.00 0.00 52.55 55.50 1wbd s ASP 121 Cb 0.00 -2.60 0.97 0.00 1.01 0.00 0.00 42.92 42.30 1wbd s ASP 121 CO 0.00 -0.03 1.84 1.05 0.21 0.00 0.00 175.17 178.24 1wbd h GLU 122 N 3.57 0.00 0.00 8.23 4.11 -1.96 -2.50 114.58 126.03 1wbd h GLU 122 Ca -0.46 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.89 1wbd h GLU 122 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1wbd h GLU 122 CO 0.66 0.03 -0.37 0.00 0.07 0.00 0.00 179.01 179.40 1wbd h ALA 123 N 1.97 1.10 0.00 1.06 0.00 -1.97 -3.26 119.26 118.17 1wbd h ALA 123 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1wbd h ALA 123 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wbd h ALA 123 CO 0.00 0.46 -1.28 1.28 0.00 0.00 0.00 179.25 179.72 1wbd n LEU 124 N -3.69 0.52 -4.90 0.00 4.77 -0.95 -4.82 117.00 107.93 1wbd n LEU 124 Ca -0.01 -0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 1wbd n LEU 124 Cb 0.47 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1wbd n LEU 124 CO 0.37 0.01 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.56 1wbd s LEU 125 N -4.22 4.17 -0.26 2.23 1.43 -1.15 -4.78 118.68 116.08 1wbd s LEU 125 Ca 0.00 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 1wbd s LEU 125 Cb 0.14 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1wbd s LEU 125 CO 0.83 0.03 0.34 -1.10 0.23 0.00 0.00 176.35 176.68 1wbd s GLN 126 N -3.36 4.02 0.30 1.70 -0.21 -1.26 -4.94 119.66 115.90 1wbd s GLN 126 Ca 0.33 -0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.70 1wbd s GLN 126 Cb -0.10 -3.64 0.71 0.00 1.00 0.00 0.00 33.01 30.98 1wbd s GLN 126 CO 0.27 -0.23 1.51 -1.91 -2.12 0.00 0.00 175.29 172.82 1wbd n GLU 127 N 5.17 -0.08 -0.58 2.91 2.13 -1.26 -2.48 120.64 126.44 1wbd n GLU 127 Ca -0.10 1.46 0.03 0.00 0.66 0.00 0.00 57.16 59.21 1wbd n GLU 127 Cb 0.51 -2.30 0.24 0.00 0.27 0.00 0.00 31.44 30.16 1wbd n GLU 127 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1wbd n ARG 128 N -5.46 2.53 -3.87 5.31 1.74 -1.26 -4.73 116.66 110.92 1wbd n ARG 128 Ca 0.22 -2.96 -0.20 0.00 -0.77 0.00 0.00 57.85 54.15 1wbd n ARG 128 Cb 0.72 -1.85 -0.17 0.00 -1.02 0.00 0.00 32.46 30.14 1wbd n ARG 128 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wbd s GLN 129 N -2.98 0.41 0.67 5.56 -0.21 -1.04 -4.57 119.66 117.51 1wbd s GLN 129 Ca 0.43 0.11 -0.17 0.00 0.02 0.00 0.00 55.36 55.75 1wbd s GLN 129 Cb 0.37 -0.69 0.00 0.00 1.00 0.00 0.00 33.01 33.68 1wbd s GLN 129 CO 0.06 -0.21 1.29 -0.51 -2.12 0.00 0.00 175.29 173.79 1wbd s ASP 130 N 1.48 4.47 -0.21 5.90 1.01 -1.26 -4.61 116.67 123.46 1wbd s ASP 130 Ca -0.03 2.60 -0.03 0.00 0.71 0.00 0.00 52.55 55.80 1wbd s ASP 130 Cb -0.13 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.25 1wbd s ASP 130 CO -0.03 -2.09 0.06 0.21 0.21 0.00 0.00 175.17 173.53 1wbd s ASN 131 N -1.48 3.01 0.05 0.27 2.47 -1.26 -4.99 114.94 113.02 1wbd s ASN 131 Ca 0.82 -0.92 0.05 0.00 0.42 0.00 0.00 52.86 53.22 1wbd s ASN 131 Cb -0.37 -0.56 -0.04 0.00 -1.45 0.00 0.00 41.25 38.84 1wbd s ASN 131 CO 0.41 -0.34 -0.07 -0.76 -3.72 0.00 0.00 177.10 172.62 1wbd s LEU 132 N 1.89 3.14 -0.12 3.21 1.43 -1.26 -4.39 118.68 122.58 1wbd s LEU 132 Ca 0.01 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1wbd s LEU 132 Cb -0.17 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1wbd s LEU 132 CO -0.12 0.23 0.09 -0.22 0.23 0.00 0.00 176.35 176.55 1wbd s LEU 133 N -1.82 4.08 0.05 1.79 2.96 -0.17 -0.81 118.68 124.75 1wbd s LEU 133 Ca 0.20 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 1wbd s LEU 133 Cb -0.11 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1wbd s LEU 133 CO 0.11 0.37 -0.10 0.00 -1.32 0.00 0.00 176.35 175.41 1wbd s ALA 134 N -0.79 0.79 0.03 5.97 0.00 -0.24 -0.37 121.76 127.14 1wbd s ALA 134 Ca 0.13 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.32 1wbd s ALA 134 Cb -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1wbd s ALA 134 CO 0.03 0.05 -0.20 0.00 0.00 0.00 0.00 175.76 175.65 1wbd s ALA 135 N -1.30 1.65 0.03 0.00 0.00 -0.65 -0.30 121.76 121.19 1wbd s ALA 135 Ca -0.07 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1wbd s ALA 135 Cb -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1wbd s ALA 135 CO 0.01 0.38 -0.09 -1.50 0.00 0.00 0.00 175.76 174.55 1wbd s ILE 136 N -0.70 0.69 0.17 0.00 2.07 0.80 -1.76 121.20 122.46 1wbd s ILE 136 Ca 0.07 -0.80 -0.23 0.00 -1.41 0.00 0.00 60.65 58.27 1wbd s ILE 136 Cb -0.08 -0.67 0.06 0.00 0.13 0.00 0.00 42.46 41.91 1wbd s ILE 136 CO 0.01 -0.11 0.64 -1.66 -1.91 0.00 0.00 174.94 171.91 1wbd s TRP 137 N -0.84 -0.48 -0.02 3.50 1.48 -0.45 -3.70 118.94 118.44 1wbd s TRP 137 Ca -0.03 0.24 0.02 0.00 -1.06 0.00 0.00 56.10 55.27 1wbd s TRP 137 Cb -0.07 0.58 0.00 0.00 -1.16 0.00 0.00 33.47 32.82 1wbd s TRP 137 CO 0.00 -0.89 -0.08 -1.14 -4.06 0.00 0.00 176.95 170.79 1wbd s GLN 138 N -3.73 0.73 0.51 3.25 0.74 -1.26 -0.20 119.66 119.70 1wbd s GLN 138 Ca 0.03 -0.26 0.06 0.00 0.05 0.00 0.00 55.36 55.24 1wbd s GLN 138 Cb -0.02 -0.71 0.02 0.00 1.10 0.00 0.00 33.01 33.40 1wbd s GLN 138 CO -0.10 0.12 0.37 0.34 -0.55 0.00 0.00 175.29 175.47 1wbd s ASP 139 N 0.06 4.67 0.29 6.67 2.15 -0.39 -4.99 116.67 125.14 1wbd s ASP 139 Ca -0.01 -1.15 -0.02 0.00 0.43 0.00 0.00 52.55 51.81 1wbd s ASP 139 Cb -0.06 0.15 0.42 0.00 -0.30 0.00 0.00 42.92 43.13 1wbd s ASP 139 CO -0.00 -0.97 1.91 0.77 -0.17 0.00 0.00 175.17 176.71 1wbd h SER 140 N 0.87 0.88 0.00 -0.34 4.64 -2.04 -3.38 113.55 114.19 1wbd h SER 140 Ca -0.38 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1wbd h SER 140 Cb 1.29 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1wbd h SER 140 CO 0.59 0.72 0.00 0.29 -0.87 0.00 0.00 176.83 177.56 1wbd n LYS 141 N -4.36 0.00 0.00 4.77 5.02 -1.26 -5.10 118.16 117.24 1wbd n LYS 141 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1wbd n LYS 141 Cb 0.11 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 1wbd n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wbd n GLY 142 N 1.78 5.54 3.90 0.72 0.00 -1.26 -5.04 105.19 110.82 1wbd n GLY 142 Ca 0.00 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1wbd n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wbd s PHE 143 N 0.81 3.45 -0.07 1.61 0.08 -1.13 -1.26 117.98 121.47 1wbd s PHE 143 Ca 0.00 0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.25 1wbd s PHE 143 Cb 0.00 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1wbd s PHE 143 CO 0.00 0.56 -0.13 0.20 -0.10 0.00 0.00 175.22 175.74 1wbd s GLY 144 N -2.72 1.54 -0.02 4.36 0.00 0.72 -3.79 107.32 107.42 1wbd s GLY 144 Ca 0.34 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 1wbd s GLY 144 CO 0.27 -0.62 0.05 -0.47 0.00 0.00 0.00 173.10 172.33 1wbd s TYR 145 N -0.47 -0.03 0.02 1.90 5.04 -0.58 -1.34 117.35 121.89 1wbd s TYR 145 Ca 0.06 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.86 1wbd s TYR 145 Cb -0.12 -0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.11 1wbd s TYR 145 CO 0.02 -0.06 -0.06 0.00 -1.34 0.00 0.00 175.55 174.11 1wbd s ALA 146 N 0.45 0.47 0.05 3.97 0.00 -0.72 -0.63 121.76 125.35 1wbd s ALA 146 Ca -0.04 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1wbd s ALA 146 Cb -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1wbd s ALA 146 CO -0.02 0.04 -0.13 0.95 0.00 0.00 0.00 175.76 176.61 1wbd s THR 147 N -0.71 1.00 -0.03 0.00 -4.23 -0.34 -1.64 115.64 109.69 1wbd s THR 147 Ca -0.04 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1wbd s THR 147 Cb -0.06 -0.94 0.01 0.00 1.34 0.00 0.00 72.50 72.85 1wbd s THR 147 CO 0.00 -0.12 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.66 1wbd s LEU 148 N -1.36 1.70 -0.48 4.79 2.96 0.49 -1.27 118.68 125.52 1wbd s LEU 148 Ca -0.01 -0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 1wbd s LEU 148 Cb -0.09 -0.53 0.08 0.00 0.50 0.00 0.00 46.19 46.15 1wbd s LEU 148 CO 0.01 0.04 0.41 -0.62 -1.32 0.00 0.00 176.35 174.88 1wbd s ASP 149 N 0.35 6.15 0.58 3.68 -1.08 -0.25 -1.00 116.67 125.10 1wbd s ASP 149 Ca -0.05 -1.33 0.32 0.00 -0.52 0.00 0.00 52.55 50.96 1wbd s ASP 149 Cb -0.10 -2.19 1.79 0.00 -1.46 0.00 0.00 42.92 40.96 1wbd s ASP 149 CO 0.01 -0.67 2.20 -0.29 0.52 0.00 0.00 175.17 176.94 1wbd h ILE 150 N 5.77 0.43 0.08 4.11 2.10 -1.80 -0.73 117.51 127.46 1wbd h ILE 150 Ca -0.28 -0.21 -0.18 0.00 1.08 0.00 0.00 64.86 65.27 1wbd h ILE 150 Cb 1.11 1.14 0.02 0.00 -1.09 0.00 0.00 36.82 38.00 1wbd h ILE 150 CO 0.89 0.04 -0.75 0.28 -1.08 0.00 0.00 178.15 177.54 1wbd h SER 151 N 0.00 0.52 1.10 2.19 0.02 -1.90 -3.35 113.55 112.13 1wbd h SER 151 Ca -0.00 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 1wbd h SER 151 Cb 0.14 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1wbd h SER 151 CO 0.01 1.33 -0.82 0.77 -1.14 0.00 0.00 176.83 176.97 1wbd h SER 152 N -0.21 0.00 -0.01 3.07 4.64 -1.78 -3.34 113.55 115.92 1wbd h SER 152 Ca -0.11 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1wbd h SER 152 Cb 1.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1wbd h SER 152 CO 0.14 0.02 -0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1wbd n GLY 153 N 1.19 0.45 3.62 -0.77 0.00 -0.30 -4.89 105.19 104.50 1wbd n GLY 153 Ca 0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1wbd n GLY 153 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wbd s ARG 154 N -0.32 3.76 -0.15 1.61 3.52 -1.23 -4.63 118.95 121.51 1wbd s ARG 154 Ca 0.00 1.54 0.01 0.00 -0.13 0.00 0.00 55.73 57.15 1wbd s ARG 154 Cb 0.00 -4.03 0.02 0.00 -1.56 0.00 0.00 34.95 29.38 1wbd s ARG 154 CO 0.00 -1.34 -0.15 0.12 -0.81 0.00 0.00 175.30 173.12 1wbd s PHE 155 N 5.26 2.20 0.14 5.12 2.19 -1.26 -1.09 117.98 130.54 1wbd s PHE 155 Ca 0.70 -1.22 0.07 0.00 0.33 0.00 0.00 56.93 56.81 1wbd s PHE 155 Cb -0.23 -1.60 -0.04 0.00 -1.31 0.00 0.00 43.02 39.84 1wbd s PHE 155 CO 0.29 -0.65 -0.17 1.03 1.83 0.00 0.00 175.22 177.54 1wbd s ARG 156 N 1.39 1.15 -0.07 10.12 1.81 -0.40 -2.01 118.95 130.94 1wbd s ARG 156 Ca 0.03 -1.29 -0.05 0.00 -1.72 0.00 0.00 55.73 52.70 1wbd s ARG 156 Cb -0.13 -1.18 0.03 0.00 -0.45 0.00 0.00 34.95 33.21 1wbd s ARG 156 CO -0.09 0.24 0.17 -1.17 -0.68 0.00 0.00 175.30 173.77 1wbd s LEU 157 N -2.42 1.04 0.25 2.53 0.20 -0.07 -1.20 118.68 119.01 1wbd s LEU 157 Ca 0.11 0.36 0.01 0.00 0.69 0.00 0.00 54.13 55.29 1wbd s LEU 157 Cb -0.06 0.54 -0.04 0.00 -0.43 0.00 0.00 46.19 46.19 1wbd s LEU 157 CO 0.05 -0.10 0.13 -0.94 -0.29 0.00 0.00 176.35 175.20 1wbd s SER 158 N 0.56 0.83 -0.47 3.68 1.04 0.19 -1.51 113.70 118.03 1wbd s SER 158 Ca -0.04 -1.44 0.08 0.00 0.48 0.00 0.00 55.95 55.03 1wbd s SER 158 Cb -0.05 0.32 0.26 0.00 0.10 0.00 0.00 66.02 66.64 1wbd s SER 158 CO -0.03 -0.82 0.61 -0.62 0.98 0.00 0.00 173.24 173.36 1wbd n GLU 159 N -0.41 1.33 -1.62 4.02 1.02 -1.26 -1.52 120.64 122.19 1wbd n GLU 159 Ca 0.01 -3.70 -0.49 0.00 -0.02 0.00 0.00 57.16 52.96 1wbd n GLU 159 Cb 0.66 -1.57 -0.05 0.00 -0.02 0.00 0.00 31.44 30.45 1wbd n GLU 159 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1wbd n PRO 160 N 1.14 1.58 0.18 3.49 -0.02 -1.25 -4.75 135.00 135.37 1wbd n PRO 160 Ca 0.24 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.42 1wbd n PRO 160 Cb 0.50 -2.27 0.37 0.00 -0.02 0.00 0.00 33.50 32.08 1wbd n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wbd h ALA 161 N 5.18 1.00 -2.92 3.55 0.00 -1.95 -2.98 119.26 121.14 1wbd h ALA 161 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1wbd h ALA 161 Cb 1.30 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1wbd h ALA 161 CO 0.83 0.00 0.04 0.16 0.00 0.00 0.00 179.25 180.28 1wbd s ASP 162 N -5.32 0.02 0.21 0.00 1.47 -1.26 -4.83 116.67 106.97 1wbd s ASP 162 Ca 0.07 -0.96 -0.11 0.00 1.18 0.00 0.00 52.55 52.74 1wbd s ASP 162 Cb 0.09 0.69 0.30 0.00 -0.34 0.00 0.00 42.92 43.65 1wbd s ASP 162 CO 0.59 -1.32 1.67 -0.09 0.68 0.00 0.00 175.17 176.69 1wbd h ARG 163 N 2.12 0.13 -0.33 2.11 2.43 -2.00 -2.59 114.38 116.25 1wbd h ARG 163 Ca -0.26 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.79 1wbd h ARG 163 Cb 1.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1wbd h ARG 163 CO 0.33 0.08 -0.25 0.93 -1.51 0.00 0.00 179.97 179.56 1wbd h GLU 164 N 0.13 0.75 -0.33 0.20 3.07 -1.99 -1.75 114.58 114.66 1wbd h GLU 164 Ca 0.32 -0.37 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 1wbd h GLU 164 Cb 0.52 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1wbd h GLU 164 CO -0.51 0.98 -0.01 1.15 -1.40 0.00 0.00 179.01 179.22 1wbd h THR 165 N 0.52 1.20 -0.15 1.13 2.02 -1.95 -1.20 112.91 114.47 1wbd h THR 165 Ca 0.06 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 1wbd h THR 165 Cb 0.81 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1wbd h THR 165 CO 0.07 0.27 -0.18 -0.03 0.37 0.00 0.00 175.52 176.01 1wbd h MET 166 N 0.49 0.39 -0.99 6.66 -1.53 -1.12 -0.74 114.93 118.09 1wbd h MET 166 Ca 0.10 -0.22 0.06 0.00 -3.44 0.00 0.00 59.70 56.21 1wbd h MET 166 Cb 0.33 0.01 -0.06 0.00 -0.55 0.00 0.00 31.60 31.33 1wbd h MET 166 CO 0.01 0.79 0.64 0.00 0.14 0.00 0.00 176.91 178.49 1wbd h ALA 167 N 0.60 1.42 -0.19 0.39 0.00 -1.22 -1.09 119.26 119.16 1wbd h ALA 167 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1wbd h ALA 167 Cb 0.73 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wbd h ALA 167 CO 0.04 0.45 -0.14 0.00 0.00 0.00 0.00 179.25 179.60 1wbd h ALA 168 N 1.46 1.41 0.16 0.00 0.00 -0.90 -2.32 119.26 119.07 1wbd h ALA 168 Ca 0.42 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 54.81 1wbd h ALA 168 Cb 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wbd h ALA 168 CO -0.16 0.41 -1.29 0.93 0.00 0.00 0.00 179.25 179.13 1wbd h GLU 169 N 0.29 0.38 -0.32 0.00 4.39 -0.26 -2.60 114.58 116.47 1wbd h GLU 169 Ca 0.06 -0.62 -0.02 0.00 0.34 0.00 0.00 59.36 59.11 1wbd h GLU 169 Cb 0.43 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1wbd h GLU 169 CO 0.03 1.29 0.12 -0.07 -1.16 0.00 0.00 179.01 179.21 1wbd h LEU 170 N 0.12 0.45 -0.59 1.33 3.38 -1.17 -0.51 115.31 118.32 1wbd h LEU 170 Ca -0.17 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 1wbd h LEU 170 Cb 2.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1wbd h LEU 170 CO 0.23 0.51 -0.06 -0.61 0.09 0.00 0.00 178.44 178.60 1wbd h GLN 171 N 0.36 1.06 -0.30 1.13 5.75 -1.49 0.22 115.11 121.85 1wbd h GLN 171 Ca 0.10 -0.37 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 1wbd h GLN 171 Cb 0.21 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1wbd h GLN 171 CO -0.01 1.07 0.09 -0.09 -2.65 0.00 0.00 178.83 177.24 1wbd h ARG 172 N 0.95 0.46 0.00 1.69 2.43 -1.40 -3.26 114.38 115.25 1wbd h ARG 172 Ca 0.16 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 1wbd h ARG 172 Cb 0.63 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1wbd h ARG 172 CO 0.04 0.51 -1.03 1.79 -1.51 0.00 0.00 179.97 179.78 1wbd h THR 173 N 0.32 0.84 -6.68 0.20 1.35 -1.04 -3.49 112.91 104.41 1wbd h THR 173 Ca 0.10 -2.34 -0.54 0.00 -0.55 0.00 0.00 66.41 63.08 1wbd h THR 173 Cb 0.25 2.33 -0.06 0.00 -1.73 0.00 0.00 68.15 68.94 1wbd h THR 173 CO -0.00 0.48 -0.94 -3.20 -0.25 0.00 0.00 175.52 171.60 1wbd n ASN 174 N -3.10 -1.75 -4.75 5.36 5.15 0.78 -4.82 115.26 112.13 1wbd n ASN 174 Ca -0.04 -1.14 -0.40 0.00 -0.60 0.00 0.00 54.58 52.40 1wbd n ASN 174 Cb 0.83 -2.46 0.03 0.00 -0.53 0.00 0.00 39.78 37.65 1wbd n ASN 174 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1wbd n PRO 175 N -4.55 2.01 0.16 1.20 -0.04 -1.26 -4.74 135.00 127.78 1wbd n PRO 175 Ca -0.23 0.72 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 1wbd n PRO 175 Cb 0.65 -2.58 0.30 0.00 -0.04 0.00 0.00 33.50 31.82 1wbd n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wbd h ALA 176 N 1.95 1.00 -2.74 0.55 0.00 -1.30 -3.45 119.26 115.27 1wbd h ALA 176 Ca -0.51 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1wbd h ALA 176 Cb 1.28 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.82 1wbd h ALA 176 CO 0.59 0.00 -0.28 -2.00 0.00 0.00 0.00 179.25 177.56 1wbd s GLU 177 N -3.16 0.42 -0.24 0.00 2.12 -1.20 -4.38 118.70 112.27 1wbd s GLU 177 Ca 0.09 0.64 -0.03 0.00 0.36 0.00 0.00 54.97 56.03 1wbd s GLU 177 Cb 0.09 0.11 0.08 0.00 0.26 0.00 0.00 34.13 34.67 1wbd s GLU 177 CO 0.63 -0.10 0.08 -1.17 -0.54 0.00 0.00 175.26 174.16 1wbd s LEU 178 N 0.71 1.19 -0.04 2.70 0.20 0.48 -1.08 118.68 122.86 1wbd s LEU 178 Ca -0.04 -1.08 -0.24 0.00 0.69 0.00 0.00 54.13 53.46 1wbd s LEU 178 Cb -0.05 -0.56 -0.04 0.00 -0.43 0.00 0.00 46.19 45.10 1wbd s LEU 178 CO -0.05 -0.36 0.72 -0.76 -0.29 0.00 0.00 176.35 175.61 1wbd s LEU 179 N 1.89 4.35 0.09 -0.68 1.43 0.59 -1.84 118.68 124.51 1wbd s LEU 179 Ca 0.04 1.26 0.03 0.00 -1.03 0.00 0.00 54.13 54.44 1wbd s LEU 179 Cb -0.17 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 1wbd s LEU 179 CO -0.18 -0.08 -0.09 -0.72 0.23 0.00 0.00 176.35 175.51 1wbd s TYR 180 N 0.56 0.99 0.60 0.29 1.13 -1.06 -0.14 117.35 119.71 1wbd s TYR 180 Ca 0.38 -0.66 -0.14 0.00 -1.41 0.00 0.00 57.07 55.24 1wbd s TYR 180 Cb -0.18 -0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 40.09 1wbd s TYR 180 CO 0.20 -0.03 1.04 0.00 -2.51 0.00 0.00 175.55 174.24 1wbd s ALA 181 N -2.38 2.84 0.22 9.51 0.00 -1.24 -1.05 121.76 129.65 1wbd s ALA 181 Ca 0.04 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 1wbd s ALA 181 Cb -0.03 -3.18 0.23 0.00 0.00 0.00 0.00 23.12 20.14 1wbd s ALA 181 CO -0.00 -0.75 1.85 0.93 0.00 0.00 0.00 175.76 177.79 1wbd h GLU 182 N 0.25 0.89 -0.38 0.00 5.08 -1.73 -2.74 114.58 115.95 1wbd h GLU 182 Ca -0.46 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1wbd h GLU 182 Cb 1.21 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1wbd h GLU 182 CO 0.59 0.59 0.00 -0.40 -1.00 0.00 0.00 179.01 178.78 1wbd n ASP 183 N -4.64 1.53 -4.66 1.42 5.75 -1.26 -4.92 116.55 109.77 1wbd n ASP 183 Ca 0.09 -2.07 -0.47 0.00 -0.01 0.00 0.00 54.79 52.33 1wbd n ASP 183 Cb 0.11 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 39.91 1wbd n ASP 183 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1wbd n PHE 184 N 0.18 2.18 -0.07 2.11 7.35 -1.03 -4.87 117.46 123.31 1wbd n PHE 184 Ca 0.08 0.28 -0.21 0.00 -0.76 0.00 0.00 57.45 56.84 1wbd n PHE 184 Cb 0.28 -2.53 -0.12 0.00 0.35 0.00 0.00 39.48 37.45 1wbd n PHE 184 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wbd h ALA 185 N 6.33 0.22 -0.71 3.13 0.00 -1.91 -3.40 119.26 122.91 1wbd h ALA 185 Ca -0.46 -1.09 -0.74 0.00 0.00 0.00 0.00 54.91 52.62 1wbd h ALA 185 Cb 1.27 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 19.50 1wbd h ALA 185 CO 0.89 0.66 2.33 0.39 0.00 0.00 0.00 179.25 183.52 1wbd n GLU 186 N -4.28 3.84 0.30 0.00 -0.58 -1.26 -4.73 120.64 113.92 1wbd n GLU 186 Ca -0.27 -3.36 0.19 0.00 -0.42 0.00 0.00 57.16 53.30 1wbd n GLU 186 Cb 0.72 -2.86 0.92 0.00 -0.57 0.00 0.00 31.44 29.64 1wbd n GLU 186 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1wbd h MET 187 N 5.40 0.00 0.00 3.49 2.86 -2.00 -2.47 114.93 122.21 1wbd h MET 187 Ca 0.52 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.15 1wbd h MET 187 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1wbd h MET 187 CO 1.62 0.00 -0.07 0.66 1.06 0.00 0.00 176.91 180.18 1wbd h SER 188 N 0.00 0.00 -0.34 1.22 4.64 -1.99 -0.25 113.55 116.83 1wbd h SER 188 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1wbd h SER 188 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1wbd h SER 188 CO 0.00 0.07 0.09 -0.07 -0.87 0.00 0.00 176.83 176.05 1wbd h LEU 189 N 0.00 0.52 -1.30 5.97 3.38 -1.85 -3.36 115.31 118.66 1wbd h LEU 189 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1wbd h LEU 189 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wbd h LEU 189 CO 0.01 0.61 -0.03 2.30 0.09 0.00 0.00 178.44 181.41 1wbd n ILE 190 N -4.63 0.00 -0.32 1.22 -5.35 -0.99 -4.77 119.36 104.52 1wbd n ILE 190 Ca -0.01 -0.48 0.02 0.00 -0.27 0.00 0.00 62.75 62.00 1wbd n ILE 190 Cb 0.19 1.20 0.16 0.00 -1.74 0.00 0.00 39.64 39.45 1wbd n ILE 190 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1wbd h GLU 191 N 1.90 0.92 0.00 6.28 5.08 -1.20 -2.56 114.58 125.00 1wbd h GLU 191 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1wbd h GLU 191 Cb 0.42 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1wbd h GLU 191 CO 0.00 0.61 -0.12 0.41 -1.00 0.00 0.00 179.01 178.91 1wbd n GLY 192 N -1.33 -1.61 3.77 -3.84 0.00 -1.26 -4.93 105.19 95.98 1wbd n GLY 192 Ca 0.14 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1wbd n GLY 192 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wbd s ARG 193 N -3.09 4.25 0.63 1.61 0.52 -0.97 -5.03 118.95 116.87 1wbd s ARG 193 Ca 0.10 1.91 -0.15 0.00 -0.52 0.00 0.00 55.73 57.08 1wbd s ARG 193 Cb 0.14 -2.87 -0.01 0.00 0.52 0.00 0.00 34.95 32.72 1wbd s ARG 193 CO 0.61 -0.18 1.09 -0.98 0.02 0.00 0.00 175.30 175.86 1wbd s ARG 194 N -2.01 3.01 -1.18 3.54 1.70 -1.26 -4.27 118.95 118.48 1wbd s ARG 194 Ca 0.53 1.30 -0.06 0.00 -0.47 0.00 0.00 55.73 57.03 1wbd s ARG 194 Cb -0.33 -1.98 0.01 0.00 -0.57 0.00 0.00 34.95 32.07 1wbd s ARG 194 CO 0.42 -1.07 1.02 0.41 -1.08 0.00 0.00 175.30 175.00 1wbd n GLY 195 N -0.75 -0.36 3.79 3.88 0.00 -1.23 -4.60 105.19 105.92 1wbd n GLY 195 Ca 0.10 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1wbd n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wbd s LEU 196 N -6.48 4.10 -0.34 0.99 1.43 -1.26 -0.38 118.68 116.74 1wbd s LEU 196 Ca 0.41 1.91 -0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1wbd s LEU 196 Cb -0.18 -4.28 0.14 0.00 0.03 0.00 0.00 46.19 41.90 1wbd s LEU 196 CO 0.65 -0.42 0.25 -0.13 0.23 0.00 0.00 176.35 176.92 1wbd s ARG 197 N -2.65 0.47 0.26 1.70 1.81 -0.77 -4.88 118.95 114.89 1wbd s ARG 197 Ca 0.58 -0.91 -0.30 0.00 -1.72 0.00 0.00 55.73 53.39 1wbd s ARG 197 Cb -0.18 -1.05 -0.11 0.00 -0.45 0.00 0.00 34.95 33.17 1wbd s ARG 197 CO 0.23 -1.15 1.52 0.50 -0.68 0.00 0.00 175.30 175.73 1wbd s ARG 198 N 1.53 4.20 0.02 3.54 3.52 -1.26 -2.56 118.95 127.94 1wbd s ARG 198 Ca 0.15 2.43 0.03 0.00 -0.13 0.00 0.00 55.73 58.20 1wbd s ARG 198 Cb -0.19 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.11 1wbd s ARG 198 CO -0.12 -0.54 -0.08 1.03 -0.81 0.00 0.00 175.30 174.79 1wbd s ARG 199 N -0.22 0.58 0.66 5.12 1.81 -0.22 -4.93 118.95 121.75 1wbd s ARG 199 Ca 0.62 -0.51 -0.17 0.00 -1.72 0.00 0.00 55.73 53.95 1wbd s ARG 199 Cb -0.45 -0.49 -0.00 0.00 -0.45 0.00 0.00 34.95 33.56 1wbd s ARG 199 CO 0.43 0.12 1.26 -1.25 -0.68 0.00 0.00 175.30 175.18 1wbd s PRO 200 N -0.84 2.53 0.42 3.54 0.04 -1.26 -2.05 135.00 137.37 1wbd s PRO 200 Ca -0.02 1.95 0.13 0.00 0.04 0.00 0.00 61.00 63.10 1wbd s PRO 200 Cb -0.06 -1.86 0.88 0.00 0.04 0.00 0.00 34.50 33.51 1wbd s PRO 200 CO 0.00 -1.59 1.93 1.25 0.04 0.00 0.00 177.00 178.63 1wbd h LEU 201 N 0.41 0.02 -0.98 -3.56 6.46 -1.97 -2.90 115.31 112.79 1wbd h LEU 201 Ca -0.50 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 1wbd h LEU 201 Cb 1.32 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1wbd h LEU 201 CO 0.53 0.27 0.00 4.11 -0.62 0.00 0.00 178.44 182.72 1wbd h TRP 202 N 0.02 0.00 0.00 1.25 5.08 -2.00 -1.66 115.95 118.64 1wbd h TRP 202 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1wbd h TRP 202 Cb 0.44 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 1wbd h TRP 202 CO 0.00 0.00 0.00 0.93 -1.28 0.00 0.00 178.44 178.09 1wbd h GLU 203 N 0.00 0.00 -0.63 0.12 5.08 -1.89 -2.94 114.58 114.31 1wbd h GLU 203 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wbd h GLU 203 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wbd h GLU 203 CO 0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 1wbd n PHE 204 N -2.96 1.80 -2.67 4.33 3.72 -0.63 -3.39 117.46 117.65 1wbd n PHE 204 Ca 0.02 -0.63 -0.40 0.00 -0.05 0.00 0.00 57.45 56.39 1wbd n PHE 204 Cb 0.37 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 1wbd n PHE 204 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1wbd s GLU 205 N -2.48 4.79 0.02 -1.08 -6.30 -1.12 -4.74 118.70 107.79 1wbd s GLU 205 Ca 0.48 1.58 -0.22 0.00 -2.50 0.00 0.00 54.97 54.31 1wbd s GLU 205 Cb 0.36 -3.25 -0.17 0.00 0.00 0.00 0.00 34.13 31.08 1wbd s GLU 205 CO 0.15 0.43 1.28 0.97 0.02 0.00 0.00 175.26 178.11 1wbd h ILE 206 N 3.13 1.38 -0.09 -3.70 6.09 -1.93 -2.36 117.51 120.03 1wbd h ILE 206 Ca -0.46 -1.40 -0.06 0.00 -1.37 0.00 0.00 64.86 61.57 1wbd h ILE 206 Cb 1.20 2.07 -0.01 0.00 0.47 0.00 0.00 36.82 40.55 1wbd h ILE 206 CO 0.68 0.40 -0.23 0.44 -3.07 0.00 0.00 178.15 176.37 1wbd h ASP 207 N -0.15 0.15 -0.10 2.19 3.32 -1.99 -0.96 116.42 118.88 1wbd h ASP 207 Ca 0.01 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1wbd h ASP 207 Cb 0.72 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1wbd h ASP 207 CO 0.04 0.39 -0.39 0.74 -1.72 0.00 0.00 179.24 178.30 1wbd h THR 208 N 0.15 1.39 -0.56 0.35 2.02 -1.95 -2.90 112.91 111.40 1wbd h THR 208 Ca 0.03 -1.74 0.05 0.00 0.77 0.00 0.00 66.41 65.51 1wbd h THR 208 Cb 0.49 2.22 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 1wbd h THR 208 CO 0.03 0.51 0.30 0.00 0.37 0.00 0.00 175.52 176.74 1wbd h ALA 209 N 0.47 0.73 -0.78 6.16 0.00 -1.13 -0.79 119.26 123.91 1wbd h ALA 209 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1wbd h ALA 209 Cb 1.03 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1wbd h ALA 209 CO 0.08 -0.03 0.51 0.00 0.00 0.00 0.00 179.25 179.81 1wbd h ARG 210 N 0.57 0.90 0.08 0.00 3.08 -1.25 -0.28 114.38 117.48 1wbd h ARG 210 Ca 0.25 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 60.00 1wbd h ARG 210 Cb 0.13 -0.20 0.02 0.00 0.08 0.00 0.00 29.97 30.00 1wbd h ARG 210 CO -0.16 0.59 -0.97 0.37 -1.07 0.00 0.00 179.97 178.73 1wbd h GLN 211 N 0.92 0.52 -0.17 0.04 4.15 -1.18 -1.05 115.11 118.34 1wbd h GLN 211 Ca 0.32 -0.67 -0.18 0.00 0.77 0.00 0.00 58.65 58.89 1wbd h GLN 211 Cb 0.10 0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 1wbd h GLN 211 CO -0.10 1.28 -0.62 1.96 -1.93 0.00 0.00 178.83 179.42 1wbd h GLN 212 N 0.08 0.60 -0.41 1.69 4.20 -1.04 -2.09 115.11 118.14 1wbd h GLN 212 Ca -0.14 -0.41 -0.12 0.00 0.06 0.00 0.00 58.65 58.03 1wbd h GLN 212 Cb 1.68 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.51 1wbd h GLN 212 CO 0.19 1.03 -0.21 -0.07 -0.67 0.00 0.00 178.83 179.10 1wbd h LEU 213 N 0.44 0.90 -1.14 1.46 3.38 -1.04 -1.28 115.31 118.04 1wbd h LEU 213 Ca -0.01 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1wbd h LEU 213 Cb 1.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1wbd h LEU 213 CO 0.12 1.11 0.22 0.78 0.09 0.00 0.00 178.44 180.76 1wbd h ASN 214 N 0.69 0.75 -0.26 -0.43 2.35 -1.12 -2.61 115.58 114.95 1wbd h ASN 214 Ca 0.09 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1wbd h ASN 214 Cb 0.78 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1wbd h ASN 214 CO 0.06 0.68 -0.16 0.25 -1.65 0.00 0.00 177.43 176.61 1wbd h LEU 215 N 0.81 0.59 -0.96 1.61 5.85 -1.13 -1.57 115.31 120.50 1wbd h LEU 215 Ca 0.19 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1wbd h LEU 215 Cb 0.17 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1wbd h LEU 215 CO -0.02 0.89 0.61 -0.61 -0.34 0.00 0.00 178.44 178.98 1wbd h GLN 216 N 0.29 1.07 -0.31 1.25 5.75 -1.10 -2.90 115.11 119.16 1wbd h GLN 216 Ca 0.05 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1wbd h GLN 216 Cb 0.69 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.00 1wbd h GLN 216 CO 0.05 0.71 0.00 1.19 -2.65 0.00 0.00 178.83 178.13 1wbd n PHE 217 N -4.54 0.40 -1.15 3.99 3.72 -1.00 -4.85 117.46 114.04 1wbd n PHE 217 Ca 0.15 -0.20 -0.05 0.00 -0.05 0.00 0.00 57.45 57.30 1wbd n PHE 217 Cb 0.19 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 1wbd n PHE 217 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wbd n GLY 218 N 1.36 0.60 3.94 1.37 0.00 -0.85 -4.99 105.19 106.61 1wbd n GLY 218 Ca 0.18 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1wbd n GLY 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wbd s THR 219 N -1.67 4.47 -0.05 2.61 -4.23 -0.65 -5.02 115.64 111.09 1wbd s THR 219 Ca 0.00 -1.10 0.10 0.00 -1.18 0.00 0.00 61.69 59.51 1wbd s THR 219 Cb 0.00 -3.54 -0.23 0.00 1.34 0.00 0.00 72.50 70.07 1wbd s THR 219 CO 0.00 -0.25 0.62 -2.11 -0.54 0.00 0.00 174.62 172.34 1wbd n ARG 220 N -1.46 0.65 -4.23 3.99 1.85 -1.26 -4.42 116.66 111.78 1wbd n ARG 220 Ca -0.05 0.29 -0.16 0.00 -1.00 0.00 0.00 57.85 56.93 1wbd n ARG 220 Cb 0.58 -1.78 -0.08 0.00 -1.05 0.00 0.00 32.46 30.13 1wbd n ARG 220 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1wbd s ASP 221 N -6.20 1.09 -0.16 2.89 1.47 -1.26 -4.96 116.67 109.54 1wbd s ASP 221 Ca -0.07 -1.60 0.16 0.00 1.18 0.00 0.00 52.55 52.22 1wbd s ASP 221 Cb 0.08 0.52 0.55 0.00 -0.34 0.00 0.00 42.92 43.72 1wbd s ASP 221 CO 0.82 -1.03 1.45 0.18 0.68 0.00 0.00 175.17 177.27 1wbd n LEU 222 N -0.51 4.02 -0.14 2.11 4.77 -1.26 -4.57 117.00 121.43 1wbd n LEU 222 Ca 0.05 -2.87 -0.04 0.00 -0.03 0.00 0.00 56.01 53.12 1wbd n LEU 222 Cb 0.63 -0.53 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 1wbd n LEU 222 CO 0.32 0.68 0.96 0.58 -1.33 0.00 0.00 177.39 178.60 1wbd h VAL 223 N 2.16 1.23 0.00 4.08 2.07 -1.95 -2.24 116.25 121.60 1wbd h VAL 223 Ca 0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1wbd h VAL 223 Cb 1.43 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1wbd h VAL 223 CO 0.23 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.75 1wbd n GLY 224 N -0.81 -0.89 0.20 2.17 0.00 -1.26 -1.78 105.19 102.82 1wbd n GLY 224 Ca 0.04 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1wbd n GLY 224 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wbd n PHE 225 N -1.41 0.00 -2.48 1.61 3.72 -0.87 -5.02 117.46 113.00 1wbd n PHE 225 Ca 0.05 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.34 1wbd n PHE 225 Cb 0.14 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1wbd n PHE 225 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wbd n GLY 226 N 1.15 0.02 0.01 1.37 0.00 -0.73 -4.51 105.19 102.50 1wbd n GLY 226 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1wbd n GLY 226 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wbd n VAL 227 N -3.93 0.61 0.24 1.61 0.24 -1.20 -4.78 118.33 111.12 1wbd n VAL 227 Ca -0.08 -0.62 0.07 0.00 -2.04 0.00 0.00 64.34 61.66 1wbd n VAL 227 Cb 0.57 0.68 0.57 0.00 -1.47 0.00 0.00 33.84 34.19 1wbd n VAL 227 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1wbd h GLU 228 N 0.00 0.01 -0.80 7.34 4.57 -1.89 -2.60 114.58 121.21 1wbd h GLU 228 Ca 0.00 -0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.61 1wbd h GLU 228 Cb 0.73 -0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 28.94 1wbd h GLU 228 CO 0.00 0.09 -0.32 0.27 -1.18 0.00 0.00 179.01 177.87 1wbd n ASN 229 N -4.44 5.57 -3.00 1.04 6.94 -1.26 -4.70 115.26 115.41 1wbd n ASN 229 Ca -0.03 -3.76 -0.26 0.00 -0.02 0.00 0.00 54.58 50.51 1wbd n ASN 229 Cb 0.16 -0.53 -0.04 0.00 -2.36 0.00 0.00 39.78 37.01 1wbd n ASN 229 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wbd n ALA 230 N -0.79 4.32 -0.00 -2.53 0.00 -0.98 -4.97 120.51 115.56 1wbd n ALA 230 Ca 0.49 -4.55 0.02 0.00 0.00 0.00 0.00 53.44 49.40 1wbd n ALA 230 Cb 0.89 -0.76 0.38 0.00 0.00 0.00 0.00 19.45 19.95 1wbd n ALA 230 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wbd h PRO 231 N 3.05 0.54 -0.62 0.00 0.13 -1.84 -1.11 132.00 132.15 1wbd h PRO 231 Ca 0.13 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.23 1wbd h PRO 231 Cb 0.57 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 1wbd h PRO 231 CO 0.78 0.43 0.37 0.00 -0.23 0.00 0.00 178.00 179.35 1wbd h ARG 232 N 0.54 0.70 -0.49 0.86 3.08 -1.93 -2.22 114.38 114.94 1wbd h ARG 232 Ca 0.14 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1wbd h ARG 232 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1wbd h ARG 232 CO -0.02 0.47 0.14 0.78 -1.07 0.00 0.00 179.97 180.27 1wbd h GLY 233 N 0.73 0.83 1.49 0.04 0.00 -1.45 -3.00 103.07 101.70 1wbd h GLY 233 Ca 0.26 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1wbd h GLY 233 CO -0.12 0.47 -0.05 1.41 0.00 0.00 0.00 176.54 178.25 1wbd h LEU 234 N 0.66 0.60 -0.93 3.11 3.38 -1.13 -0.73 115.31 120.27 1wbd h LEU 234 Ca 0.16 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1wbd h LEU 234 Cb 0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1wbd h LEU 234 CO -0.00 0.70 0.18 0.00 0.09 0.00 0.00 178.44 179.41 1wbd h ALA 236 N 1.26 0.53 0.00 0.00 0.00 -1.23 -2.90 119.26 116.93 1wbd h ALA 236 Ca 0.20 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1wbd h ALA 236 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wbd h ALA 236 CO -0.01 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.49 1wbd h ALA 237 N 0.76 1.37 0.03 0.00 0.00 -0.62 -1.81 119.26 118.99 1wbd h ALA 237 Ca 0.06 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.41 1wbd h ALA 237 Cb 0.90 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.66 1wbd h ALA 237 CO 0.08 0.41 -1.04 0.78 0.00 0.00 0.00 179.25 179.49 1wbd h GLY 238 N 1.11 0.73 0.94 0.00 0.00 -0.85 -1.56 103.07 103.44 1wbd h GLY 238 Ca -0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 47.33 45.96 1wbd h GLY 238 CO 0.04 1.18 0.14 0.00 0.00 0.00 0.00 176.54 177.91 1wbd h LEU 240 N 0.46 1.11 -0.02 0.00 6.46 -1.33 -1.07 115.31 120.93 1wbd h LEU 240 Ca 0.12 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1wbd h LEU 240 Cb 0.21 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1wbd h LEU 240 CO -0.01 0.80 -0.07 0.25 -0.62 0.00 0.00 178.44 178.79 1wbd h LEU 241 N 1.31 0.09 -0.82 2.25 5.85 -1.09 -1.62 115.31 121.29 1wbd h LEU 241 Ca 0.36 -0.64 0.19 0.00 0.84 0.00 0.00 57.88 58.64 1wbd h LEU 241 Cb -0.12 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 40.76 1wbd h LEU 241 CO -0.09 0.72 0.24 1.56 -0.34 0.00 0.00 178.44 180.53 1wbd h GLN 242 N -0.52 0.27 -0.35 1.25 1.08 -1.27 -0.98 115.11 114.58 1wbd h GLN 242 Ca -0.00 -0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 1wbd h GLN 242 Cb 0.71 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1wbd h GLN 242 CO 0.01 0.18 -0.35 -0.92 -0.95 0.00 0.00 178.83 176.80 1wbd h TYR 243 N 0.28 1.02 -0.13 2.96 3.20 -0.89 -1.48 116.97 121.93 1wbd h TYR 243 Ca 0.49 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1wbd h TYR 243 Cb 0.90 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1wbd h TYR 243 CO -0.24 1.11 -0.02 0.00 -1.64 0.00 0.00 178.16 177.37 1wbd h ALA 244 N 0.74 0.10 -0.74 1.82 0.00 -0.72 -1.65 119.26 118.82 1wbd h ALA 244 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wbd h ALA 244 Cb 0.94 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1wbd h ALA 244 CO 0.09 -0.47 0.45 0.87 0.00 0.00 0.00 179.25 180.18 1wbd h LYS 245 N 0.01 1.00 -0.67 0.00 1.57 -1.08 -1.97 116.57 115.43 1wbd h LYS 245 Ca 0.06 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1wbd h LYS 245 Cb 0.09 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1wbd h LYS 245 CO -0.13 0.70 0.19 0.22 -0.57 0.00 0.00 179.45 179.86 1wbd h ASP 246 N 1.01 0.98 1.47 0.86 3.58 -0.95 0.15 116.42 123.51 1wbd h ASP 246 Ca 0.27 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1wbd h ASP 246 Cb -0.04 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.75 1wbd h ASP 246 CO -0.05 0.93 -0.01 0.71 -2.88 0.00 0.00 179.24 177.94 1wbd h THR 247 N 1.00 0.02 0.00 2.25 1.35 -0.83 -3.32 112.91 113.38 1wbd h THR 247 Ca 0.22 -0.76 -0.36 0.00 -0.55 0.00 0.00 66.41 64.96 1wbd h THR 247 Cb 0.32 1.74 -0.07 0.00 -1.73 0.00 0.00 68.15 68.41 1wbd h THR 247 CO -0.00 0.01 -2.36 0.00 -0.25 0.00 0.00 175.52 172.91 1wbd n GLN 248 N -3.10 0.72 -3.82 4.72 1.13 -0.78 -4.96 117.38 111.28 1wbd n GLN 248 Ca 0.02 0.08 -0.25 0.00 -1.94 0.00 0.00 57.00 54.91 1wbd n GLN 248 Cb 0.41 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.29 1wbd n GLN 248 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1wbd n ARG 249 N -3.00 -4.71 -3.64 -1.09 5.12 0.46 -4.98 116.66 104.83 1wbd n ARG 249 Ca -0.38 0.57 -0.15 0.00 -1.93 0.00 0.00 57.85 55.96 1wbd n ARG 249 Cb 1.03 -5.13 -0.07 0.00 -1.16 0.00 0.00 32.46 27.13 1wbd n ARG 249 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1wbd s THR 250 N -3.62 0.04 0.65 0.55 2.01 -1.26 -5.12 115.64 108.88 1wbd s THR 250 Ca 0.19 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 1wbd s THR 250 Cb -0.10 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1wbd s THR 250 CO 0.83 -0.16 1.14 0.42 -0.69 0.00 0.00 174.62 176.17 1wbd s THR 251 N -1.75 2.96 -0.65 -0.82 -4.23 -1.26 -4.90 115.64 104.98 1wbd s THR 251 Ca -0.09 0.49 0.05 0.00 -1.18 0.00 0.00 61.69 60.96 1wbd s THR 251 Cb -0.02 -3.05 0.19 0.00 1.34 0.00 0.00 72.50 70.96 1wbd s THR 251 CO 0.03 -0.23 0.54 0.18 -0.54 0.00 0.00 174.62 174.60 1wbd n LEU 252 N -2.21 2.78 0.20 4.79 4.77 -1.26 -4.80 117.00 121.27 1wbd n LEU 252 Ca 0.12 -5.17 0.14 0.00 -0.03 0.00 0.00 56.01 51.06 1wbd n LEU 252 Cb 0.51 -0.57 0.49 0.00 -2.33 0.00 0.00 43.42 41.52 1wbd n LEU 252 CO 0.46 1.85 0.90 1.55 -1.33 0.00 0.00 177.39 180.83 1wbd h PRO 253 N 5.07 0.00 0.00 3.23 0.13 -1.94 -2.69 132.00 135.80 1wbd h PRO 253 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1wbd h PRO 253 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1wbd h PRO 253 CO 0.71 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.09 1wbd n HIS 254 N -2.75 0.53 -3.17 1.56 1.44 -1.26 -4.43 115.22 107.13 1wbd n HIS 254 Ca 0.02 0.18 -0.45 0.00 -2.01 0.00 0.00 57.72 55.46 1wbd n HIS 254 Cb 0.35 -0.79 -0.03 0.00 0.12 0.00 0.00 29.99 29.64 1wbd n HIS 254 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1wbd s ILE 255 N -3.13 5.13 -0.17 0.61 1.01 -1.02 -4.49 121.20 119.14 1wbd s ILE 255 Ca 0.09 -1.70 0.02 0.00 0.00 0.00 0.00 60.65 59.05 1wbd s ILE 255 Cb 0.12 -4.53 0.03 0.00 0.01 0.00 0.00 42.46 38.09 1wbd s ILE 255 CO 0.45 -1.14 0.77 -2.11 0.00 0.00 0.00 174.94 172.91 1wbd n ARG 256 N 5.41 0.89 -3.53 2.79 1.85 -1.26 -4.72 116.66 118.10 1wbd n ARG 256 Ca 0.05 -1.03 -0.18 0.00 -1.00 0.00 0.00 57.85 55.69 1wbd n ARG 256 Cb 0.45 -1.03 -0.06 0.00 -1.05 0.00 0.00 32.46 30.77 1wbd n ARG 256 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wbd s SER 257 N -0.52 -0.66 0.04 2.89 0.15 -1.26 -4.80 113.70 109.54 1wbd s SER 257 Ca 0.03 0.74 0.02 0.00 0.70 0.00 0.00 55.95 57.44 1wbd s SER 257 Cb 0.02 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1wbd s SER 257 CO 0.02 -0.59 -0.08 -0.51 1.20 0.00 0.00 173.24 173.28 1wbd s ILE 258 N -1.13 0.58 0.17 6.45 2.07 -1.26 -4.38 121.20 123.70 1wbd s ILE 258 Ca -0.10 -0.95 0.09 0.00 -1.41 0.00 0.00 60.65 58.28 1wbd s ILE 258 Cb -0.00 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.94 1wbd s ILE 258 CO 0.09 -0.28 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.76 1wbd s THR 259 N -1.15 1.95 -0.11 4.00 2.01 -0.85 -4.78 115.64 116.71 1wbd s THR 259 Ca -0.07 -1.94 -0.01 0.00 0.31 0.00 0.00 61.69 59.98 1wbd s THR 259 Cb -0.09 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1wbd s THR 259 CO 0.00 -0.27 -0.06 -0.32 -0.69 0.00 0.00 174.62 173.29 1wbd s MET 260 N -2.76 3.18 -0.27 4.92 1.75 -1.26 -0.89 119.30 123.97 1wbd s MET 260 Ca 0.17 -0.54 -0.08 0.00 -1.25 0.00 0.00 55.69 53.99 1wbd s MET 260 Cb -0.06 -2.73 -0.02 0.00 2.84 0.00 0.00 34.83 34.86 1wbd s MET 260 CO 0.07 0.46 0.09 -1.21 -0.65 0.00 0.00 175.02 173.79 1wbd s GLU 261 N -0.25 3.53 0.01 4.11 2.02 -0.57 -4.94 118.70 122.61 1wbd s GLU 261 Ca 0.04 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 1wbd s GLU 261 Cb -0.13 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 1wbd s GLU 261 CO 0.02 -0.27 0.18 1.03 0.02 0.00 0.00 175.26 176.25 1wbd s ARG 262 N 1.61 3.41 0.19 1.61 0.52 -1.26 -4.59 118.95 120.43 1wbd s ARG 262 Ca 0.06 -0.37 -0.24 0.00 -0.52 0.00 0.00 55.73 54.66 1wbd s ARG 262 Cb -0.16 -3.06 0.08 0.00 0.52 0.00 0.00 34.95 32.33 1wbd s ARG 262 CO 0.04 0.65 1.52 -1.91 0.02 0.00 0.00 175.30 175.62 1wbd n GLU 263 N 0.77 -0.33 0.02 3.54 2.13 -1.26 -1.57 120.64 123.94 1wbd n GLU 263 Ca -0.09 1.49 0.11 0.00 0.66 0.00 0.00 57.16 59.33 1wbd n GLU 263 Cb 0.52 -2.21 0.46 0.00 0.27 0.00 0.00 31.44 30.48 1wbd n GLU 263 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wbd n GLN 264 N -5.33 0.04 0.00 5.31 0.00 -1.26 -2.77 117.38 113.37 1wbd n GLN 264 Ca 0.06 0.16 0.15 0.00 0.00 0.00 0.00 57.00 57.37 1wbd n GLN 264 Cb 0.32 -1.56 0.81 0.00 0.00 0.00 0.00 30.24 29.81 1wbd n GLN 264 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1wbd n ASP 265 N -1.63 0.09 -3.98 2.61 8.00 -0.61 -4.65 116.55 116.38 1wbd n ASP 265 Ca 0.05 -0.54 -0.08 0.00 0.71 0.00 0.00 54.79 54.93 1wbd n ASP 265 Cb 0.27 -0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 1wbd n ASP 265 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wbd s SER 266 N -2.34 0.29 -0.17 -2.24 1.04 -1.11 -2.94 113.70 106.23 1wbd s SER 266 Ca 0.36 -0.76 -0.29 0.00 0.48 0.00 0.00 55.95 55.74 1wbd s SER 266 Cb 0.21 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1wbd s SER 266 CO 0.43 -0.60 1.12 -0.63 0.98 0.00 0.00 173.24 174.54 1wbd s ILE 267 N -3.43 4.53 0.20 -1.02 1.01 -0.65 -4.82 121.20 117.01 1wbd s ILE 267 Ca 0.02 1.84 -0.25 0.00 0.00 0.00 0.00 60.65 62.25 1wbd s ILE 267 Cb 0.04 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 1wbd s ILE 267 CO -0.08 -0.11 0.81 -0.63 0.00 0.00 0.00 174.94 174.92 1wbd s ILE 268 N 2.97 4.33 -0.09 2.92 1.01 -0.52 -4.63 121.20 127.18 1wbd s ILE 268 Ca 0.49 1.72 -0.04 0.00 0.00 0.00 0.00 60.65 62.82 1wbd s ILE 268 Cb -0.19 -4.12 0.05 0.00 0.01 0.00 0.00 42.46 38.21 1wbd s ILE 268 CO 0.12 0.44 0.20 -0.04 0.00 0.00 0.00 174.94 175.66 1wbd s MET 269 N -1.35 0.10 0.96 2.79 -1.94 -1.26 -2.08 119.30 116.51 1wbd s MET 269 Ca 0.39 0.57 -0.12 0.00 -1.71 0.00 0.00 55.69 54.81 1wbd s MET 269 Cb -0.22 -0.17 0.16 0.00 2.01 0.00 0.00 34.83 36.61 1wbd s MET 269 CO 0.26 -0.25 1.11 0.16 -0.01 0.00 0.00 175.02 176.29 1wbd s ASP 270 N 1.96 3.04 0.13 3.03 1.47 -1.26 -4.74 116.67 120.30 1wbd s ASP 270 Ca -0.02 1.07 -0.19 0.00 1.18 0.00 0.00 52.55 54.60 1wbd s ASP 270 Cb -0.12 -1.69 -0.03 0.00 -0.34 0.00 0.00 42.92 40.75 1wbd s ASP 270 CO -0.07 -2.86 1.76 0.00 0.68 0.00 0.00 175.17 174.69 1wbd h ALA 271 N -1.71 0.29 -0.74 2.11 0.00 -1.88 -0.94 119.26 116.40 1wbd h ALA 271 Ca -0.53 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1wbd h ALA 271 Cb 1.33 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1wbd h ALA 271 CO 0.60 -0.29 0.43 0.00 0.00 0.00 0.00 179.25 179.98 1wbd h ALA 272 N 1.13 1.01 -0.27 0.00 0.00 -1.95 0.18 119.26 119.36 1wbd h ALA 272 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wbd h ALA 272 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1wbd h ALA 272 CO -0.08 0.11 0.15 1.15 0.00 0.00 0.00 179.25 180.58 1wbd h THR 273 N 0.77 1.12 -0.43 0.00 2.02 -1.68 -1.38 112.91 113.33 1wbd h THR 273 Ca 0.33 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1wbd h THR 273 Cb 0.22 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1wbd h THR 273 CO -0.19 0.12 0.20 -0.09 0.37 0.00 0.00 175.52 175.93 1wbd h ARG 274 N 0.32 0.38 -0.25 6.66 2.43 -0.35 -1.88 114.38 121.70 1wbd h ARG 274 Ca 0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1wbd h ARG 274 Cb 0.07 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1wbd h ARG 274 CO -0.02 0.25 0.12 0.00 -1.51 0.00 0.00 179.97 178.82 1wbd h ARG 275 N 0.40 0.36 -0.03 0.20 3.08 -0.62 -3.07 114.38 114.69 1wbd h ARG 275 Ca 0.19 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1wbd h ARG 275 Cb 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1wbd h ARG 275 CO -0.15 0.37 -0.24 -0.91 -1.07 0.00 0.00 179.97 177.96 1wbd h ASN 276 N 0.27 0.05 0.93 7.04 2.35 -0.92 -2.24 115.58 123.06 1wbd h ASN 276 Ca 0.09 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1wbd h ASN 276 Cb 0.12 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1wbd h ASN 276 CO -0.01 0.29 -0.11 0.18 -1.65 0.00 0.00 177.43 176.13 1wbd n LEU 277 N -4.23 0.17 -3.71 1.61 4.77 -0.74 -4.96 117.00 109.91 1wbd n LEU 277 Ca -0.02 0.40 -0.28 0.00 -0.03 0.00 0.00 56.01 56.08 1wbd n LEU 277 Cb 0.31 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1wbd n LEU 277 CO 0.38 0.01 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.73 1wbd n GLU 278 N -1.57 -2.15 0.00 3.23 1.02 -0.84 -4.76 120.64 115.57 1wbd n GLU 278 Ca 0.07 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1wbd n GLU 278 Cb 0.35 -4.42 0.00 0.00 -0.02 0.00 0.00 31.44 27.34 1wbd n GLU 278 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1wbd n ILE 279 N -4.19 0.00 -0.07 -3.67 5.41 -1.26 -1.45 119.36 114.13 1wbd n ILE 279 Ca -0.16 1.03 -0.06 0.00 1.00 0.00 0.00 62.75 64.57 1wbd n ILE 279 Cb 0.62 -2.01 -0.14 0.00 -0.71 0.00 0.00 39.64 37.40 1wbd n ILE 279 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1wbd n THR 280 N -1.93 1.00 -5.14 1.39 -2.24 -1.26 -1.47 114.28 104.63 1wbd n THR 280 Ca 0.00 -0.69 -0.31 0.00 -2.27 0.00 0.00 64.05 60.79 1wbd n THR 280 Cb 0.00 -0.44 -0.17 0.00 -2.10 0.00 0.00 70.33 67.62 1wbd n THR 280 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1wbd s GLN 281 N -2.56 2.62 0.77 -0.78 0.74 -1.26 -4.58 119.66 114.61 1wbd s GLN 281 Ca -0.08 -0.82 -0.12 0.00 0.05 0.00 0.00 55.36 54.39 1wbd s GLN 281 Cb 0.06 -2.09 0.06 0.00 1.10 0.00 0.00 33.01 32.14 1wbd s GLN 281 CO 0.72 0.24 1.15 0.54 -0.55 0.00 0.00 175.29 177.39 1wbd s ASN 282 N 0.16 4.84 0.52 6.67 2.20 -0.38 -4.42 114.94 124.53 1wbd s ASN 282 Ca -0.12 0.90 0.17 0.00 -0.94 0.00 0.00 52.86 52.87 1wbd s ASN 282 Cb -0.16 -1.50 1.29 0.00 -2.00 0.00 0.00 41.25 38.88 1wbd s ASN 282 CO 0.06 -1.70 2.15 -0.07 -2.94 0.00 0.00 177.10 174.59 1wbd h LEU 283 N -0.91 0.00 -0.43 3.54 3.38 -1.90 -1.15 115.31 117.83 1wbd h LEU 283 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1wbd h LEU 283 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1wbd h LEU 283 CO 0.65 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1wbd n ALA 284 N -2.53 2.52 -0.20 1.53 0.00 -1.26 -4.93 120.51 115.65 1wbd n ALA 284 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1wbd n ALA 284 Cb 0.10 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1wbd n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wbd n GLY 285 N 0.79 1.21 0.47 0.00 0.00 -0.44 -5.06 105.19 102.15 1wbd n GLY 285 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 1wbd n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbd n GLY 286 N -2.00 -0.06 0.12 -0.02 0.00 -1.26 -4.76 105.19 97.20 1wbd n GLY 286 Ca 0.00 -1.84 0.04 0.00 0.00 0.00 0.00 46.02 44.21 1wbd n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbd n ALA 287 N -3.04 2.75 -1.98 4.61 0.00 -1.26 -1.25 120.51 120.34 1wbd n ALA 287 Ca -0.02 -0.33 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 1wbd n ALA 287 Cb 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 19.45 19.28 1wbd n ALA 287 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wbd s GLU 288 N -1.29 3.31 -1.43 0.00 2.02 -1.26 -4.21 118.70 115.84 1wbd s GLU 288 Ca 0.05 0.47 -0.00 0.00 0.02 0.00 0.00 54.97 55.51 1wbd s GLU 288 Cb 0.06 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1wbd s GLU 288 CO 0.22 -0.63 0.34 0.09 0.02 0.00 0.00 175.26 175.30 1wbd n ASN 289 N -2.69 -0.07 -4.44 -0.19 5.03 -1.26 -4.58 115.26 107.05 1wbd n ASN 289 Ca 0.05 -1.06 -0.21 0.00 0.87 0.00 0.00 54.58 54.23 1wbd n ASN 289 Cb 0.55 -2.79 -0.11 0.00 -1.02 0.00 0.00 39.78 36.42 1wbd n ASN 289 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1wbd s THR 290 N -4.04 1.19 0.11 3.41 -1.32 -1.26 -4.85 115.64 108.87 1wbd s THR 290 Ca 0.00 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 58.34 1wbd s THR 290 Cb -0.00 -2.78 -0.09 0.00 -1.51 0.00 0.00 72.50 68.12 1wbd s THR 290 CO 0.91 -0.01 1.41 0.25 -2.21 0.00 0.00 174.62 174.96 1wbd h LEU 291 N 2.13 0.82 -1.47 9.08 5.85 -0.78 -2.81 115.31 128.13 1wbd h LEU 291 Ca -0.41 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 57.83 1wbd h LEU 291 Cb 1.24 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1wbd h LEU 291 CO 0.69 1.15 0.38 0.00 -0.34 0.00 0.00 178.44 180.32 1wbd h ALA 292 N 0.69 1.65 -0.20 1.25 0.00 -1.52 -0.23 119.26 120.90 1wbd h ALA 292 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wbd h ALA 292 Cb 0.96 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1wbd h ALA 292 CO 0.09 0.31 -0.09 0.66 0.00 0.00 0.00 179.25 180.22 1wbd h SER 293 N 0.72 0.30 0.15 0.00 4.64 -1.71 -0.29 113.55 117.36 1wbd h SER 293 Ca 0.22 -0.06 -0.29 0.00 -0.47 0.00 0.00 61.79 61.19 1wbd h SER 293 Cb -0.00 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1wbd h SER 293 CO -0.05 0.43 -1.44 0.58 -0.87 0.00 0.00 176.83 175.47 1wbd h VAL 294 N 0.30 1.08 0.00 0.95 2.07 -1.37 -3.40 116.25 115.88 1wbd h VAL 294 Ca 0.06 -2.47 -0.11 0.00 0.82 0.00 0.00 66.70 65.01 1wbd h VAL 294 Cb 0.35 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1wbd h VAL 294 CO 0.02 0.76 -0.94 -0.07 0.02 0.00 0.00 177.57 177.35 1wbd h LEU 295 N -0.17 0.00 -7.13 2.57 3.38 -0.97 -3.42 115.31 109.58 1wbd h LEU 295 Ca -0.29 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 56.89 1wbd h LEU 295 Cb 1.87 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 42.38 1wbd h LEU 295 CO 0.12 0.41 1.04 -0.67 0.09 0.00 0.00 178.44 179.43 1wbd n ASP 296 N -2.98 5.72 -2.57 -0.43 2.03 -0.13 -4.73 116.55 113.47 1wbd n ASP 296 Ca -0.03 -3.18 -0.34 0.00 0.52 0.00 0.00 54.79 51.76 1wbd n ASP 296 Cb 0.73 -1.39 0.04 0.00 -0.72 0.00 0.00 41.12 39.78 1wbd n ASP 296 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wbd s THR 298 N -4.28 2.78 -0.60 0.00 -4.23 -1.26 -4.84 115.64 103.20 1wbd s THR 298 Ca 0.55 0.25 0.10 0.00 -1.18 0.00 0.00 61.69 61.41 1wbd s THR 298 Cb 0.43 -2.72 -0.07 0.00 1.34 0.00 0.00 72.50 71.48 1wbd s THR 298 CO -0.22 -0.33 0.48 1.33 -0.54 0.00 0.00 174.62 175.34 1wbd n VAL 299 N -3.83 0.00 -4.86 2.29 0.24 -1.26 -4.94 118.33 105.97 1wbd n VAL 299 Ca 0.07 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.34 61.80 1wbd n VAL 299 Cb 0.55 1.04 -0.15 0.00 -1.47 0.00 0.00 33.84 33.80 1wbd n VAL 299 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1wbd s THR 300 N -1.74 1.59 0.42 3.34 -4.23 -1.26 -4.52 115.64 109.23 1wbd s THR 300 Ca 0.05 -0.95 0.15 0.00 -1.18 0.00 0.00 61.69 59.76 1wbd s THR 300 Cb 0.08 -1.34 0.36 0.00 1.34 0.00 0.00 72.50 72.93 1wbd s THR 300 CO 0.35 0.37 1.91 -0.65 -0.54 0.00 0.00 174.62 176.06 1wbd h PRO 301 N 5.41 0.42 -0.11 3.99 0.11 -1.86 -2.04 132.00 137.91 1wbd h PRO 301 Ca -0.40 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 1wbd h PRO 301 Cb 1.15 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1wbd h PRO 301 CO 0.47 0.28 -0.50 0.00 -0.21 0.00 0.00 178.00 178.04 1wbd h MET 302 N 0.43 0.29 -0.31 1.05 -0.00 -1.85 -2.33 114.93 112.22 1wbd h MET 302 Ca 0.39 -0.17 -0.15 0.00 -0.00 0.00 0.00 59.70 59.78 1wbd h MET 302 Cb 0.88 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.48 1wbd h MET 302 CO -0.13 0.73 -0.39 0.78 -0.00 0.00 0.00 176.91 177.90 1wbd h GLY 303 N 1.29 0.81 1.05 -3.00 0.00 -1.66 -2.13 103.07 99.44 1wbd h GLY 303 Ca 0.01 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.46 1wbd h GLY 303 CO 0.08 0.74 0.22 0.23 0.00 0.00 0.00 176.54 177.81 1wbd h SER 304 N 0.61 1.06 -0.11 0.19 0.87 -1.25 -0.34 113.55 114.59 1wbd h SER 304 Ca 0.05 -0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 60.26 1wbd h SER 304 Cb 0.94 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1wbd h SER 304 CO 0.09 0.99 -0.39 0.03 -0.53 0.00 0.00 176.83 177.01 1wbd h ARG 305 N 1.08 0.63 -0.32 2.24 3.08 -1.38 -2.57 114.38 117.14 1wbd h ARG 305 Ca 0.23 -0.32 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 1wbd h ARG 305 Cb 0.31 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1wbd h ARG 305 CO -0.01 0.92 -0.36 1.98 -1.07 0.00 0.00 179.97 181.43 1wbd h MET 306 N 0.52 0.81 -0.55 0.04 4.05 -1.08 -2.64 114.93 116.08 1wbd h MET 306 Ca 0.05 -0.44 0.05 0.00 -0.28 0.00 0.00 59.70 59.07 1wbd h MET 306 Cb 0.91 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.69 1wbd h MET 306 CO 0.08 1.08 0.28 1.25 0.23 0.00 0.00 176.91 179.83 1wbd h LEU 307 N 0.59 0.40 -1.74 3.39 5.85 -1.01 -1.44 115.31 121.35 1wbd h LEU 307 Ca 0.05 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1wbd h LEU 307 Cb 0.95 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1wbd h LEU 307 CO 0.09 0.27 -0.17 0.11 -0.34 0.00 0.00 178.44 178.40 1wbd h LYS 308 N 0.54 0.00 -0.16 1.25 1.57 -1.35 -1.31 116.57 117.10 1wbd h LYS 308 Ca 0.25 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.85 1wbd h LYS 308 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1wbd h LYS 308 CO -0.17 0.17 -0.59 0.00 -0.57 0.00 0.00 179.45 178.29 1wbd h ARG 309 N 0.00 0.69 -0.72 3.15 3.08 -0.93 -2.90 114.38 116.76 1wbd h ARG 309 Ca -0.00 -0.52 0.02 0.00 0.07 0.00 0.00 59.98 59.54 1wbd h ARG 309 Cb 0.37 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1wbd h ARG 309 CO 0.02 1.14 0.47 -1.49 -1.07 0.00 0.00 179.97 179.04 1wbd h TRP 310 N 0.38 0.88 -0.80 3.04 4.06 -0.84 -2.01 115.95 120.66 1wbd h TRP 310 Ca -0.03 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1wbd h TRP 310 Cb 1.22 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 29.04 1wbd h TRP 310 CO 0.09 0.54 0.39 -0.07 -3.56 0.00 0.00 178.44 175.83 1wbd h LEU 311 N 0.94 1.04 -0.06 -4.49 3.38 -1.28 -2.52 115.31 112.32 1wbd h LEU 311 Ca 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wbd h LEU 311 Cb -0.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.42 1wbd h LEU 311 CO -0.08 0.88 -0.06 1.41 0.09 0.00 0.00 178.44 180.68 1wbd n HIS 312 N -4.36 0.00 -3.29 1.13 8.25 -1.09 -4.36 115.22 111.50 1wbd n HIS 312 Ca 0.07 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.28 1wbd n HIS 312 Cb 0.13 -0.30 -0.08 0.00 1.12 0.00 0.00 29.99 30.86 1wbd n HIS 312 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1wbd n MET 313 N -1.26 0.56 -2.21 -0.41 1.56 -0.78 -5.01 117.12 109.56 1wbd n MET 313 Ca 0.12 -3.26 -0.40 0.00 -0.27 0.00 0.00 57.70 53.90 1wbd n MET 313 Cb 0.28 -1.45 -0.02 0.00 2.15 0.00 0.00 33.22 34.18 1wbd n MET 313 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1wbd s PRO 314 N -0.70 4.23 0.17 2.12 0.02 -1.23 -4.80 135.00 134.81 1wbd s PRO 314 Ca 0.34 2.02 0.08 0.00 0.02 0.00 0.00 61.00 63.46 1wbd s PRO 314 Cb 0.11 -2.90 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 1wbd s PRO 314 CO -0.15 -0.23 -0.05 0.14 -0.33 0.00 0.00 177.00 176.39 1wbd s VAL 315 N -1.25 3.48 -0.39 3.83 -7.23 -0.40 -1.64 120.40 116.80 1wbd s VAL 315 Ca 0.52 -1.51 0.23 0.00 -1.81 0.00 0.00 61.98 59.42 1wbd s VAL 315 Cb -0.35 -2.73 0.15 0.00 0.56 0.00 0.00 36.38 34.00 1wbd s VAL 315 CO 0.46 -0.09 1.33 0.03 -0.31 0.00 0.00 175.10 176.51 1wbd h ARG 316 N 2.85 0.00 -6.50 4.82 3.08 -1.80 -3.45 114.38 113.39 1wbd h ARG 316 Ca -0.47 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.03 1wbd h ARG 316 Cb 1.20 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.18 1wbd h ARG 316 CO 0.56 0.00 1.04 0.34 -1.07 0.00 0.00 179.97 180.84 1wbd s ASP 317 N -5.48 6.30 0.48 7.04 2.15 -1.26 -4.88 116.67 121.02 1wbd s ASP 317 Ca 0.04 0.20 0.25 0.00 0.43 0.00 0.00 52.55 53.47 1wbd s ASP 317 Cb 0.09 -2.55 1.22 0.00 -0.30 0.00 0.00 42.92 41.37 1wbd s ASP 317 CO 0.73 -1.58 1.97 0.71 -0.17 0.00 0.00 175.17 176.82 1wbd h THR 318 N 6.26 0.62 -0.34 1.71 1.35 -1.99 -2.80 112.91 117.72 1wbd h THR 318 Ca -0.26 -0.79 0.07 0.00 -0.55 0.00 0.00 66.41 64.88 1wbd h THR 318 Cb 1.07 1.51 -0.08 0.00 -1.73 0.00 0.00 68.15 68.92 1wbd h THR 318 CO 1.18 0.17 -0.24 0.03 -0.25 0.00 0.00 175.52 176.42 1wbd h ARG 319 N 0.00 -0.19 -0.58 4.72 3.08 -2.00 0.12 114.38 119.54 1wbd h ARG 319 Ca -0.00 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1wbd h ARG 319 Cb 0.50 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1wbd h ARG 319 CO 0.02 -0.13 0.14 0.28 -1.07 0.00 0.00 179.97 179.22 1wbd h VAL 320 N -0.20 1.24 -0.26 2.04 2.07 -1.92 -2.96 116.25 116.26 1wbd h VAL 320 Ca 0.17 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1wbd h VAL 320 Cb 0.46 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1wbd h VAL 320 CO -0.45 0.32 -0.03 -0.07 0.02 0.00 0.00 177.57 177.36 1wbd h LEU 321 N 0.86 0.47 -1.19 2.57 3.38 -1.21 -2.65 115.31 117.55 1wbd h LEU 321 Ca 0.19 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1wbd h LEU 321 Cb 0.31 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1wbd h LEU 321 CO -0.00 0.69 0.58 -0.07 0.09 0.00 0.00 178.44 179.73 1wbd h LEU 322 N 0.24 0.82 -0.56 1.67 3.38 -0.69 0.16 115.31 120.33 1wbd h LEU 322 Ca 0.07 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1wbd h LEU 322 Cb 0.47 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1wbd h LEU 322 CO 0.02 0.49 -0.29 -0.33 0.09 0.00 0.00 178.44 178.42 1wbd h GLU 323 N 0.91 0.85 -0.39 1.13 5.08 -1.35 0.74 114.58 121.55 1wbd h GLU 323 Ca 0.41 -0.39 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1wbd h GLU 323 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1wbd h GLU 323 CO -0.17 1.03 -0.25 0.00 -1.00 0.00 0.00 179.01 178.61 1wbd h ARG 324 N 0.72 0.80 0.42 2.33 3.08 -1.06 -1.78 114.38 118.88 1wbd h ARG 324 Ca 0.08 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1wbd h ARG 324 Cb 0.84 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1wbd h ARG 324 CO 0.07 0.96 -0.20 1.96 -1.07 0.00 0.00 179.97 181.70 1wbd h GLN 325 N 0.69 -0.54 -0.69 0.04 4.20 -0.59 -0.53 115.11 117.69 1wbd h GLN 325 Ca 0.09 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1wbd h GLN 325 Cb 0.78 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1wbd h GLN 325 CO 0.06 -0.36 0.45 1.96 -0.67 0.00 0.00 178.83 180.28 1wbd h GLN 326 N -0.56 0.88 -0.32 1.46 4.20 -0.79 -1.39 115.11 118.58 1wbd h GLN 326 Ca -0.06 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1wbd h GLN 326 Cb 0.43 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1wbd h GLN 326 CO 0.09 0.58 -0.27 1.15 -0.67 0.00 0.00 178.83 179.72 1wbd h THR 327 N 0.90 1.29 -0.62 -0.54 2.02 -1.21 -0.36 112.91 114.40 1wbd h THR 327 Ca 0.26 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 1wbd h THR 327 Cb -0.06 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1wbd h THR 327 CO -0.06 0.46 0.25 0.40 0.37 0.00 0.00 175.52 176.94 1wbd h ILE 328 N 0.52 1.22 -0.13 3.11 2.04 -0.32 -1.67 117.51 122.28 1wbd h ILE 328 Ca 0.06 -0.69 -0.20 0.00 1.00 0.00 0.00 64.86 65.03 1wbd h ILE 328 Cb 0.83 0.48 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1wbd h ILE 328 CO 0.07 0.27 -0.71 1.23 0.00 0.00 0.00 178.15 179.01 1wbd h GLY 329 N 1.00 0.78 2.00 5.37 0.00 -1.12 -3.19 103.07 107.91 1wbd h GLY 329 Ca 0.21 -1.12 -0.04 0.00 0.00 0.00 0.00 47.33 46.39 1wbd h GLY 329 CO -0.02 1.00 -0.17 0.00 0.00 0.00 0.00 176.54 177.35 1wbd h ALA 330 N 0.51 1.05 -0.00 3.60 0.00 -0.84 -3.15 119.26 120.42 1wbd h ALA 330 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wbd h ALA 330 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wbd h ALA 330 CO 0.15 0.21 -0.69 1.28 0.00 0.00 0.00 179.25 180.20 1wbd n LEU 331 N -3.36 1.06 -0.36 0.00 4.77 -0.65 -4.48 117.00 113.98 1wbd n LEU 331 Ca -0.00 -0.39 0.03 0.00 -0.03 0.00 0.00 56.01 55.62 1wbd n LEU 331 Cb 0.38 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1wbd n LEU 331 CO 0.32 0.23 0.63 -0.61 -1.33 0.00 0.00 177.39 176.63 1wbd h GLN 332 N 0.59 -0.01 0.00 3.23 4.15 -1.53 -1.20 115.11 120.34 1wbd h GLN 332 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1wbd h GLN 332 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1wbd h GLN 332 CO 0.00 -0.00 0.00 -0.44 -1.93 0.00 0.00 178.83 176.46 1wbd h ASP 333 N -0.01 0.00 -0.02 -0.69 3.32 -1.85 -3.27 116.42 113.90 1wbd h ASP 333 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1wbd h ASP 333 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1wbd h ASP 333 CO -0.99 0.00 -0.07 0.49 -1.72 0.00 0.00 179.24 176.95 1wbd n PHE 334 N -2.46 0.00 -0.02 4.55 3.01 -0.46 -4.65 117.46 117.43 1wbd n PHE 334 Ca 0.04 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.37 1wbd n PHE 334 Cb 0.39 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.77 1wbd n PHE 334 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1wbd h THR 335 N 4.08 1.33 -0.55 4.37 2.02 -1.59 -1.41 112.91 121.16 1wbd h THR 335 Ca 0.00 -1.03 0.01 0.00 0.77 0.00 0.00 66.41 66.15 1wbd h THR 335 Cb 0.90 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.18 1wbd h THR 335 CO 0.00 0.28 0.36 0.00 0.37 0.00 0.00 175.52 176.53 1wbd h ALA 336 N 0.62 1.61 -0.21 6.16 0.00 -1.85 -2.44 119.26 123.14 1wbd h ALA 336 Ca 0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1wbd h ALA 336 Cb 0.47 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wbd h ALA 336 CO 0.01 0.36 -0.65 0.78 0.00 0.00 0.00 179.25 179.75 1wbd h GLY 337 N 0.74 0.90 1.11 0.00 0.00 -1.81 -3.37 103.07 100.63 1wbd h GLY 337 Ca 0.20 -1.16 -0.27 0.00 0.00 0.00 0.00 47.33 46.10 1wbd h GLY 337 CO -0.04 1.04 -1.13 1.41 0.00 0.00 0.00 176.54 177.81 1wbd h LEU 338 N 0.57 0.79 -0.38 3.11 4.07 -1.01 -3.39 115.31 119.08 1wbd h LEU 338 Ca -0.02 -0.84 -0.03 0.00 0.08 0.00 0.00 57.88 57.07 1wbd h LEU 338 Cb 1.27 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 1wbd h LEU 338 CO 0.14 1.55 0.10 1.56 -1.08 0.00 0.00 178.44 180.71 1wbd h GLN 339 N 0.14 0.60 -0.40 1.13 4.20 -1.61 -1.09 115.11 118.09 1wbd h GLN 339 Ca -0.18 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1wbd h GLN 339 Cb 1.83 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.51 1wbd h GLN 339 CO 0.22 0.63 0.25 -1.35 -0.67 0.00 0.00 178.83 177.91 1wbd h PRO 340 N 0.46 0.52 -0.08 1.46 0.11 -1.77 -0.67 132.00 132.03 1wbd h PRO 340 Ca 0.12 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1wbd h PRO 340 Cb 0.29 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1wbd h PRO 340 CO -0.00 0.36 -0.07 0.28 -0.21 0.00 0.00 178.00 178.35 1wbd h VAL 341 N 0.54 1.36 -0.37 3.15 2.07 -1.68 -3.26 116.25 118.06 1wbd h VAL 341 Ca 0.14 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1wbd h VAL 341 Cb -0.05 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1wbd h VAL 341 CO -0.03 0.34 0.03 -0.07 0.02 0.00 0.00 177.57 177.86 1wbd h LEU 342 N -0.23 0.53 -1.18 2.57 3.38 -0.88 -2.48 115.31 117.02 1wbd h LEU 342 Ca 0.01 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1wbd h LEU 342 Cb 0.57 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1wbd h LEU 342 CO 0.02 0.58 0.56 -0.09 0.09 0.00 0.00 178.44 179.60 1wbd h ARG 343 N 0.54 1.02 0.00 1.13 2.43 -1.20 -1.06 114.38 117.25 1wbd h ARG 343 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1wbd h ARG 343 Cb 0.31 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1wbd h ARG 343 CO 0.01 0.67 0.00 1.96 -1.51 0.00 0.00 179.97 181.10 1wbd h GLN 344 N 1.05 0.00 -0.10 0.20 1.08 -1.48 -2.87 115.11 112.99 1wbd h GLN 344 Ca 0.35 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.44 1wbd h GLN 344 Cb 0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1wbd h GLN 344 CO -0.11 0.00 -0.42 0.28 -0.95 0.00 0.00 178.83 177.64 1wbd h VAL 345 N 0.00 1.31 -0.75 -0.54 2.07 -1.20 -3.38 116.25 113.76 1wbd h VAL 345 Ca 0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1wbd h VAL 345 Cb 0.28 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1wbd h VAL 345 CO 0.00 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.65 1wbd n GLY 346 N -0.19 0.29 2.69 2.17 0.00 -1.09 -4.04 105.19 105.03 1wbd n GLY 346 Ca -0.02 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1wbd n GLY 346 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wbd n ASP 347 N -2.21 6.06 0.23 1.61 -0.08 -1.26 -4.71 116.55 116.18 1wbd n ASP 347 Ca 0.00 -3.04 0.11 0.00 -1.51 0.00 0.00 54.79 50.35 1wbd n ASP 347 Cb 0.00 -1.47 0.70 0.00 2.34 0.00 0.00 41.12 42.69 1wbd n ASP 347 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1wbd h LEU 348 N 7.42 0.00 -0.09 -2.67 5.85 -1.94 -2.69 115.31 121.18 1wbd h LEU 348 Ca 0.54 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.28 1wbd h LEU 348 Cb 0.51 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1wbd h LEU 348 CO 1.63 0.00 -0.03 -0.08 -0.34 0.00 0.00 178.44 179.62 1wbd h GLU 349 N 0.00 -0.02 0.00 1.25 4.81 -1.87 -0.94 114.58 117.82 1wbd h GLU 349 Ca 0.04 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 1wbd h GLU 349 Cb 0.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1wbd h GLU 349 CO -0.00 -0.01 -0.71 0.00 -0.73 0.00 0.00 179.01 177.56 1wbd h ARG 350 N -0.02 0.00 -0.52 1.92 3.08 -1.78 -2.63 114.38 114.44 1wbd h ARG 350 Ca 0.05 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 1wbd h ARG 350 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1wbd h ARG 350 CO -0.10 0.71 -0.15 0.82 -1.07 0.00 0.00 179.97 180.17 1wbd h ILE 351 N 0.00 1.27 -0.28 2.04 2.04 -1.41 -2.97 117.51 118.20 1wbd h ILE 351 Ca -0.01 -1.32 -0.06 0.00 1.00 0.00 0.00 64.86 64.48 1wbd h ILE 351 Cb 1.44 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1wbd h ILE 351 CO 0.09 0.46 -0.07 -0.07 0.00 0.00 0.00 178.15 178.56 1wbd h LEU 352 N 0.89 0.42 -0.69 1.44 4.07 -0.98 -2.18 115.31 118.27 1wbd h LEU 352 Ca 0.13 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1wbd h LEU 352 Cb 0.73 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 1wbd h LEU 352 CO 0.06 0.54 0.39 0.00 -1.08 0.00 0.00 178.44 178.35 1wbd h ALA 353 N 1.51 0.88 0.00 1.53 0.00 -1.32 -1.29 119.26 120.58 1wbd h ALA 353 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wbd h ALA 353 Cb 0.39 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wbd h ALA 353 CO 0.02 0.38 -0.08 0.00 0.00 0.00 0.00 179.25 179.58 1wbd h ARG 354 N 0.95 0.00 -0.11 0.00 3.08 -1.34 -0.95 114.38 116.01 1wbd h ARG 354 Ca 0.25 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 1wbd h ARG 354 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1wbd h ARG 354 CO -0.04 0.08 -0.33 1.25 -1.07 0.00 0.00 179.97 179.86 1wbd h LEU 355 N 0.00 0.47 -0.78 3.04 5.85 -0.97 0.18 115.31 123.10 1wbd h LEU 355 Ca -0.00 -0.60 0.07 0.00 0.84 0.00 0.00 57.88 58.19 1wbd h LEU 355 Cb 0.62 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1wbd h LEU 355 CO 0.01 0.99 0.45 0.00 -0.34 0.00 0.00 178.44 179.56 1wbd h ALA 356 N 0.49 1.07 -0.00 1.25 0.00 -0.61 -2.36 119.26 119.11 1wbd h ALA 356 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wbd h ALA 356 Cb 0.95 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wbd h ALA 356 CO 0.07 0.13 -0.18 1.28 0.00 0.00 0.00 179.25 180.56 1wbd n LEU 357 N -4.72 0.37 -2.29 0.00 4.32 -0.42 -4.72 117.00 109.54 1wbd n LEU 357 Ca 0.11 0.12 -0.19 0.00 -0.02 0.00 0.00 56.01 56.04 1wbd n LEU 357 Cb 0.21 -0.28 0.01 0.00 -1.62 0.00 0.00 43.42 41.74 1wbd n LEU 357 CO 0.29 0.08 -0.14 0.54 -1.22 0.00 0.00 177.39 176.94 1wbd n ARG 358 N -1.21 -2.58 -0.14 3.23 1.74 -0.88 -4.90 116.66 111.92 1wbd n ARG 358 Ca 0.10 0.84 0.05 0.00 -0.77 0.00 0.00 57.85 58.08 1wbd n ARG 358 Cb 0.31 -5.39 0.13 0.00 -1.02 0.00 0.00 32.46 26.49 1wbd n ARG 358 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wbd n THR 359 N -4.15 0.84 -1.96 0.55 -2.24 -0.14 -5.02 114.28 102.15 1wbd n THR 359 Ca -0.17 -0.92 -0.42 0.00 -2.27 0.00 0.00 64.05 60.28 1wbd n THR 359 Cb 0.64 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1wbd n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wbd s ALA 360 N -0.98 3.67 0.32 6.98 0.00 -0.14 -4.96 121.76 126.65 1wbd s ALA 360 Ca 0.21 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.60 1wbd s ALA 360 Cb 0.11 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1wbd s ALA 360 CO 0.15 -0.79 0.44 1.03 0.00 0.00 0.00 175.76 176.59 1wbd s ARG 361 N -0.11 3.13 0.32 0.00 0.52 -1.26 -4.93 118.95 116.62 1wbd s ARG 361 Ca 0.62 -1.00 0.09 0.00 -0.52 0.00 0.00 55.73 54.92 1wbd s ARG 361 Cb -0.43 -2.80 0.86 0.00 0.52 0.00 0.00 34.95 33.10 1wbd s ARG 361 CO 0.42 0.12 1.74 -1.35 0.02 0.00 0.00 175.30 176.25 1wbd h PRO 362 N 0.97 0.60 0.00 3.54 0.11 -1.80 0.43 132.00 135.85 1wbd h PRO 362 Ca -0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1wbd h PRO 362 Cb 1.25 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1wbd h PRO 362 CO 0.54 0.40 -0.15 0.00 -0.21 0.00 0.00 178.00 178.58 1wbd h ARG 363 N 0.62 0.00 -0.61 1.05 3.08 -1.80 -0.92 114.38 115.79 1wbd h ARG 363 Ca 0.63 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.62 1wbd h ARG 363 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1wbd h ARG 363 CO -0.46 0.15 0.13 -0.44 -1.07 0.00 0.00 179.97 178.28 1wbd h ASP 364 N 0.00 0.95 -0.07 7.04 3.32 -1.29 -1.08 116.42 125.29 1wbd h ASP 364 Ca -0.00 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.68 1wbd h ASP 364 Cb 0.70 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1wbd h ASP 364 CO 0.02 0.95 -0.36 -0.07 -1.72 0.00 0.00 179.24 178.06 1wbd h LEU 365 N 0.91 0.60 -0.94 1.55 3.38 -1.21 -2.37 115.31 117.23 1wbd h LEU 365 Ca 0.19 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1wbd h LEU 365 Cb 0.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1wbd h LEU 365 CO 0.01 0.91 -0.35 0.00 0.09 0.00 0.00 178.44 179.09 1wbd h ALA 366 N 1.12 1.10 0.06 1.53 0.00 -1.03 -0.69 119.26 121.36 1wbd h ALA 366 Ca 0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 54.34 1wbd h ALA 366 Cb 0.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1wbd h ALA 366 CO 0.07 0.57 -1.08 0.00 0.00 0.00 0.00 179.25 178.81 1wbd h ARG 367 N 0.28 0.19 -0.46 0.00 3.08 -1.22 -1.99 114.38 114.27 1wbd h ARG 367 Ca 0.03 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1wbd h ARG 367 Cb 0.76 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 1wbd h ARG 367 CO 0.06 1.10 0.26 1.98 -1.07 0.00 0.00 179.97 182.30 1wbd h MET 368 N 0.07 0.64 -0.42 0.04 4.05 -1.32 -1.07 114.93 116.93 1wbd h MET 368 Ca -0.08 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1wbd h MET 368 Cb 1.79 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.44 1wbd h MET 368 CO 0.17 0.50 0.26 -0.09 0.23 0.00 0.00 176.91 177.98 1wbd h ARG 369 N 0.61 0.52 -0.20 0.39 2.43 -1.10 -1.22 114.38 115.81 1wbd h ARG 369 Ca 0.16 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1wbd h ARG 369 Cb 0.04 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1wbd h ARG 369 CO -0.03 0.34 0.10 1.25 -1.51 0.00 0.00 179.97 180.13 1wbd h HIS 370 N 0.53 0.25 0.07 2.20 2.76 -1.09 -1.68 115.15 118.21 1wbd h HIS 370 Ca 0.16 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.07 1wbd h HIS 370 Cb -0.02 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 28.87 1wbd h HIS 370 CO -0.06 0.19 -1.12 0.00 -1.30 0.00 0.00 177.93 175.64 1wbd h ALA 371 N 1.84 0.17 -0.47 5.26 0.00 -0.78 -3.19 119.26 122.09 1wbd h ALA 371 Ca 0.07 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1wbd h ALA 371 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wbd h ALA 371 CO -0.01 0.80 0.22 0.74 0.00 0.00 0.00 179.25 181.00 1wbd h PHE 372 N 0.22 0.65 0.00 0.00 0.04 -0.64 -2.31 116.94 114.89 1wbd h PHE 372 Ca -0.13 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1wbd h PHE 372 Cb 1.79 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.73 1wbd h PHE 372 CO 0.08 0.48 0.00 1.04 -0.60 0.00 0.00 178.31 179.32 1wbd n GLN 373 N -4.38 0.35 -0.01 1.51 6.02 -0.69 -2.71 117.38 117.47 1wbd n GLN 373 Ca 0.04 0.08 0.09 0.00 -0.01 0.00 0.00 57.00 57.19 1wbd n GLN 373 Cb 0.13 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.76 1wbd n GLN 373 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1wbd n GLN 374 N -1.18 0.78 -0.01 -1.09 1.13 -0.87 -4.68 117.38 111.47 1wbd n GLN 374 Ca 0.10 -0.11 -0.12 0.00 -1.94 0.00 0.00 57.00 54.93 1wbd n GLN 374 Cb 0.10 -1.39 -0.07 0.00 0.11 0.00 0.00 30.24 29.00 1wbd n GLN 374 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1wbd h LEU 375 N 0.00 0.11 -0.84 1.08 3.38 -1.55 -1.37 115.31 116.13 1wbd h LEU 375 Ca 0.00 -0.17 0.21 0.00 0.09 0.00 0.00 57.88 58.01 1wbd h LEU 375 Cb 0.68 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.27 1wbd h LEU 375 CO 0.00 0.25 0.21 -0.65 0.09 0.00 0.00 178.44 178.34 1wbd h PRO 376 N -0.03 0.22 -0.21 1.13 0.11 -1.83 0.20 132.00 131.58 1wbd h PRO 376 Ca 0.03 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 1wbd h PRO 376 Cb 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1wbd h PRO 376 CO -0.00 0.14 -0.42 1.49 -0.21 0.00 0.00 178.00 179.00 1wbd h GLU 377 N 0.22 0.66 -0.55 1.05 4.57 -1.78 -1.62 114.58 117.13 1wbd h GLU 377 Ca 0.51 -0.42 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1wbd h GLU 377 Cb 0.99 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 1wbd h GLU 377 CO -0.62 1.04 0.16 -0.07 -1.18 0.00 0.00 179.01 178.34 1wbd h LEU 378 N 0.36 0.77 -0.79 1.64 3.38 -0.83 -1.59 115.31 118.25 1wbd h LEU 378 Ca 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1wbd h LEU 378 Cb 1.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1wbd h LEU 378 CO 0.09 0.73 0.37 0.03 0.09 0.00 0.00 178.44 179.76 1wbd h ARG 379 N 0.81 1.14 -0.13 1.13 3.08 -0.44 -1.96 114.38 118.02 1wbd h ARG 379 Ca 0.18 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1wbd h ARG 379 Cb 0.25 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1wbd h ARG 379 CO -0.01 0.89 -0.11 0.00 -1.07 0.00 0.00 179.97 179.67 1wbd h ALA 380 N 1.19 0.19 -0.56 0.04 0.00 -0.95 -2.40 119.26 116.77 1wbd h ALA 380 Ca 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1wbd h ALA 380 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1wbd h ALA 380 CO -0.03 0.03 0.30 1.96 0.00 0.00 0.00 179.25 181.50 1wbd h GLN 381 N -0.08 0.77 0.00 0.00 4.20 -1.25 -3.09 115.11 115.67 1wbd h GLN 381 Ca 0.02 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1wbd h GLN 381 Cb 0.62 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wbd h GLN 381 CO 0.03 0.57 -0.55 -0.07 -0.67 0.00 0.00 178.83 178.14 1wbd h LEU 382 N 0.78 0.00 -1.02 1.46 3.38 -1.33 -3.37 115.31 115.21 1wbd h LEU 382 Ca 0.20 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.17 1wbd h LEU 382 Cb 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 1wbd h LEU 382 CO -0.03 0.06 0.63 -0.08 0.09 0.00 0.00 178.44 179.11 1wbd h GLU 383 N 0.00 0.93 -0.00 1.13 4.81 -1.34 -2.19 114.58 117.93 1wbd h GLU 383 Ca 0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1wbd h GLU 383 Cb 0.82 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1wbd h GLU 383 CO 0.00 0.62 -0.60 1.15 -0.73 0.00 0.00 179.01 179.45 1wbd h THR 384 N 0.96 1.43 -2.41 0.32 2.02 -1.76 -3.46 112.91 110.01 1wbd h THR 384 Ca 0.50 -2.05 -0.54 0.00 0.77 0.00 0.00 66.41 65.09 1wbd h THR 384 Cb 0.54 2.10 0.04 0.00 -1.74 0.00 0.00 68.15 69.09 1wbd h THR 384 CO -0.27 0.59 1.09 0.52 0.37 0.00 0.00 175.52 177.81 1wbd n VAL 385 N -3.83 0.38 -2.69 3.16 0.31 -0.83 -4.89 118.33 109.94 1wbd n VAL 385 Ca -0.01 -0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 63.82 1wbd n VAL 385 Cb 0.60 -2.05 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 1wbd n VAL 385 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wbd s ASP 386 N 2.79 6.71 -0.30 4.52 2.15 -1.26 -4.78 116.67 126.49 1wbd s ASP 386 Ca 0.83 -2.08 -0.11 0.00 0.43 0.00 0.00 52.55 51.62 1wbd s ASP 386 Cb -0.52 -2.52 0.17 0.00 -0.30 0.00 0.00 42.92 39.75 1wbd s ASP 386 CO 0.39 -1.22 0.93 -0.55 -0.17 0.00 0.00 175.17 174.56 1wbd s SER 387 N 4.20 -0.70 0.24 -0.34 0.15 -1.26 -4.88 113.70 111.12 1wbd s SER 387 Ca 0.46 0.60 -0.06 0.00 0.70 0.00 0.00 55.95 57.65 1wbd s SER 387 Cb -0.00 1.65 0.35 0.00 -1.71 0.00 0.00 66.02 66.31 1wbd s SER 387 CO -0.03 -0.13 1.82 0.00 1.20 0.00 0.00 173.24 176.10 1wbd h ALA 388 N 7.84 1.11 -0.24 5.45 0.00 -1.99 -1.46 119.26 129.96 1wbd h ALA 388 Ca -0.16 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1wbd h ALA 388 Cb 1.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1wbd h ALA 388 CO 0.04 0.13 -0.30 -1.35 0.00 0.00 0.00 179.25 177.77 1wbd h PRO 389 N 0.81 0.50 -0.40 0.00 0.11 -1.96 -1.08 132.00 129.98 1wbd h PRO 389 Ca 0.37 -0.21 -0.15 0.00 0.11 0.00 0.00 66.00 66.12 1wbd h PRO 389 Cb 0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1wbd h PRO 389 CO -0.21 0.74 -0.34 0.28 -0.21 0.00 0.00 178.00 178.26 1wbd h VAL 390 N 0.43 1.27 -0.07 3.15 2.07 -1.86 -1.46 116.25 119.79 1wbd h VAL 390 Ca 0.06 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 1wbd h VAL 390 Cb 0.74 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1wbd h VAL 390 CO 0.06 0.51 -0.24 1.56 0.02 0.00 0.00 177.57 179.48 1wbd h GLN 391 N 0.77 0.12 -0.36 1.57 1.08 -1.07 -1.08 115.11 116.13 1wbd h GLN 391 Ca 0.07 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.09 1wbd h GLN 391 Cb 0.92 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1wbd h GLN 391 CO 0.09 0.36 -0.38 0.00 -0.95 0.00 0.00 178.83 177.94 1wbd h ALA 392 N 1.65 0.53 0.00 3.87 0.00 -0.94 -1.83 119.26 122.55 1wbd h ALA 392 Ca 0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1wbd h ALA 392 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wbd h ALA 392 CO 0.03 0.63 -0.21 -0.07 0.00 0.00 0.00 179.25 179.63 1wbd h LEU 393 N 0.70 0.00 0.10 0.00 3.38 -0.88 -1.82 115.31 116.79 1wbd h LEU 393 Ca 0.06 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 1wbd h LEU 393 Cb 0.97 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.74 1wbd h LEU 393 CO 0.09 0.21 -1.04 -0.09 0.09 0.00 0.00 178.44 177.71 1wbd h ARG 394 N 0.00 0.53 0.85 1.13 2.43 -0.97 -2.17 114.38 116.19 1wbd h ARG 394 Ca -0.00 -0.70 -0.04 0.00 -0.81 0.00 0.00 59.98 58.42 1wbd h ARG 394 Cb 0.47 0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1wbd h ARG 394 CO 0.03 1.30 -0.41 1.49 -1.51 0.00 0.00 179.97 180.87 1wbd h GLU 395 N 0.10 -1.11 -0.52 0.20 4.57 -1.20 -3.19 114.58 113.43 1wbd h GLU 395 Ca -0.16 0.08 0.15 0.00 -1.18 0.00 0.00 59.36 58.25 1wbd h GLU 395 Cb 1.75 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 30.57 1wbd h GLU 395 CO 0.20 -0.73 0.42 -0.22 -1.18 0.00 0.00 179.01 177.50 1wbd h LYS 396 N -1.22 0.00 -0.50 1.92 3.64 -1.43 -0.92 116.57 118.06 1wbd h LYS 396 Ca -0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1wbd h LYS 396 Cb 0.89 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1wbd h LYS 396 CO 0.19 0.00 0.28 1.98 -2.27 0.00 0.00 179.45 179.63 1wbd h MET 397 N 0.00 0.69 0.00 1.90 4.05 -1.37 -3.17 114.93 117.03 1wbd h MET 397 Ca 0.25 -0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.68 1wbd h MET 397 Cb 1.09 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 1wbd h MET 397 CO -0.00 0.50 -0.09 0.41 0.23 0.00 0.00 176.91 177.96 1wbd n GLY 398 N -1.31 -2.11 1.19 1.39 0.00 -0.35 -4.58 105.19 99.42 1wbd n GLY 398 Ca 0.04 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1wbd n GLY 398 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wbd n GLU 399 N -1.45 0.00 -3.84 1.61 4.71 -1.26 -4.86 120.64 115.55 1wbd n GLU 399 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 1wbd n GLU 399 Cb 0.12 -0.41 0.02 0.00 -1.01 0.00 0.00 31.44 30.15 1wbd n GLU 399 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1wbd n PHE 400 N -3.05 -1.74 -0.22 -0.32 3.01 -1.26 -4.87 117.46 109.00 1wbd n PHE 400 Ca 0.00 0.52 -0.08 0.00 1.01 0.00 0.00 57.45 58.90 1wbd n PHE 400 Cb 0.31 -3.47 0.03 0.00 -0.01 0.00 0.00 39.48 36.34 1wbd n PHE 400 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wbd h ALA 401 N 0.92 0.83 -0.14 4.37 0.00 -1.97 -1.41 119.26 121.86 1wbd h ALA 401 Ca -0.66 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 53.91 1wbd h ALA 401 Cb 1.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1wbd h ALA 401 CO 0.54 0.54 -0.38 0.93 0.00 0.00 0.00 179.25 180.88 1wbd h GLU 402 N 0.92 0.30 0.05 0.00 5.08 -2.00 -2.08 114.58 116.85 1wbd h GLU 402 Ca 0.20 -0.14 -0.25 0.00 -1.00 0.00 0.00 59.36 58.17 1wbd h GLU 402 Cb 0.35 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1wbd h GLU 402 CO 0.00 0.64 -1.06 -0.07 -1.00 0.00 0.00 179.01 177.52 1wbd h LEU 403 N 0.25 0.59 -0.51 1.33 3.38 -1.92 -2.06 115.31 116.37 1wbd h LEU 403 Ca 0.03 -0.51 0.10 0.00 0.09 0.00 0.00 57.88 57.58 1wbd h LEU 403 Cb 0.79 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1wbd h LEU 403 CO 0.06 1.33 0.03 -0.09 0.09 0.00 0.00 178.44 179.87 1wbd h ARG 404 N 0.21 0.15 -0.07 1.13 2.43 -1.01 -2.24 114.38 114.98 1wbd h ARG 404 Ca -0.11 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.81 1wbd h ARG 404 Cb 1.73 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 31.25 1wbd h ARG 404 CO 0.19 0.10 -0.89 0.22 -1.51 0.00 0.00 179.97 178.08 1wbd h ASP 405 N 0.15 0.83 -0.32 -3.80 3.58 -1.38 -2.14 116.42 113.34 1wbd h ASP 405 Ca 0.26 -0.60 0.07 0.00 0.42 0.00 0.00 57.03 57.18 1wbd h ASP 405 Cb 0.39 -0.25 -0.08 0.00 1.72 0.00 0.00 39.33 41.11 1wbd h ASP 405 CO -0.40 1.39 -0.28 0.25 -2.88 0.00 0.00 179.24 177.32 1wbd h LEU 406 N 0.42 -0.91 -0.21 2.28 5.85 -1.13 -1.37 115.31 120.24 1wbd h LEU 406 Ca -0.08 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1wbd h LEU 406 Cb 1.52 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1wbd h LEU 406 CO 0.17 -0.30 0.00 -0.07 -0.34 0.00 0.00 178.44 177.90 1wbd h LEU 407 N -0.25 0.00 -0.12 2.25 3.38 -1.33 0.94 115.31 120.18 1wbd h LEU 407 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1wbd h LEU 407 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1wbd h LEU 407 CO -0.46 0.00 -0.32 -0.33 0.09 0.00 0.00 178.44 177.42 1wbd h GLU 408 N 0.00 0.43 0.00 1.13 5.08 -0.91 -3.04 114.58 117.27 1wbd h GLU 408 Ca 0.00 -0.30 -0.18 0.00 -1.00 0.00 0.00 59.36 57.88 1wbd h GLU 408 Cb 0.67 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1wbd h GLU 408 CO 0.00 0.92 -0.86 0.00 -1.00 0.00 0.00 179.01 178.07 1wbd h ARG 409 N 0.01 0.00 0.21 2.33 3.08 -1.08 -3.39 114.38 115.54 1wbd h ARG 409 Ca -0.01 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.71 1wbd h ARG 409 Cb 0.94 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.01 1wbd h ARG 409 CO 0.07 0.86 -1.57 0.00 -1.07 0.00 0.00 179.97 178.26 1wbd h ALA 410 N 1.14 0.00 -3.97 0.04 0.00 -0.89 -3.39 119.26 112.19 1wbd h ALA 410 Ca -0.01 -0.99 -0.66 0.00 0.00 0.00 0.00 54.91 53.25 1wbd h ALA 410 Cb 1.56 0.32 -0.23 0.00 0.00 0.00 0.00 17.79 19.44 1wbd h ALA 410 CO 0.11 0.83 -0.86 0.42 0.00 0.00 0.00 179.25 179.75 1wbd s ILE 411 N -2.57 2.11 1.02 0.00 1.01 -1.15 -1.25 121.20 120.36 1wbd s ILE 411 Ca -0.13 -1.61 -0.15 0.00 0.00 0.00 0.00 60.65 58.76 1wbd s ILE 411 Cb 0.04 -1.86 0.20 0.00 0.01 0.00 0.00 42.46 40.86 1wbd s ILE 411 CO 0.89 0.13 1.15 0.27 0.00 0.00 0.00 174.94 177.39 1wbd s ILE 412 N -1.00 1.88 0.09 2.92 -4.36 -0.71 -4.59 121.20 115.43 1wbd s ILE 412 Ca 0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 60.65 60.18 1wbd s ILE 412 Cb -0.10 -2.68 -0.16 0.00 1.25 0.00 0.00 42.46 40.78 1wbd s ILE 412 CO 0.05 0.00 1.60 0.44 0.24 0.00 0.00 174.94 177.26 1wbd h ASP 413 N -1.91 -1.05 -3.48 4.36 3.32 -1.94 -3.36 116.42 112.36 1wbd h ASP 413 Ca -0.48 0.08 -0.62 0.00 0.02 0.00 0.00 57.03 56.02 1wbd h ASP 413 Cb 1.30 0.33 -0.41 0.00 0.22 0.00 0.00 39.33 40.78 1wbd h ASP 413 CO 0.49 -0.58 -0.67 0.42 -1.72 0.00 0.00 179.24 177.18 1wbd s THR 414 N -5.98 2.20 0.70 0.35 -4.23 -1.26 -5.06 115.64 102.36 1wbd s THR 414 Ca -0.18 -3.44 -0.13 0.00 -1.18 0.00 0.00 61.69 56.76 1wbd s THR 414 Cb 0.05 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1wbd s THR 414 CO 0.62 -0.95 1.09 -2.16 -0.54 0.00 0.00 174.62 172.69 1wbd s PRO 415 N -0.55 2.67 0.93 3.99 0.04 -1.26 -5.02 135.00 135.80 1wbd s PRO 415 Ca 0.22 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.37 1wbd s PRO 415 Cb -0.14 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 32.60 1wbd s PRO 415 CO -0.08 -1.33 1.11 -1.25 0.04 0.00 0.00 177.00 175.48 1wbd s PRO 416 N -4.50 0.95 0.18 0.56 0.04 -1.26 -4.70 135.00 126.26 1wbd s PRO 416 Ca 0.63 0.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 1wbd s PRO 416 Cb -0.18 -1.80 0.09 0.00 0.04 0.00 0.00 34.50 32.65 1wbd s PRO 416 CO 0.48 -2.37 1.79 0.28 0.04 0.00 0.00 177.00 177.22 1wbd h VAL 417 N -1.63 1.20 -3.30 -0.36 2.07 -1.98 -3.39 116.25 108.87 1wbd h VAL 417 Ca -0.52 -0.52 -0.64 0.00 0.82 0.00 0.00 66.70 65.84 1wbd h VAL 417 Cb 1.32 0.41 -0.14 0.00 -1.52 0.00 0.00 31.29 31.36 1wbd h VAL 417 CO 0.59 0.22 -0.72 -0.76 0.02 0.00 0.00 177.57 176.93 1wbd s LEU 418 N -9.94 3.10 0.28 2.57 1.43 -1.26 -4.05 118.68 110.81 1wbd s LEU 418 Ca -0.13 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1wbd s LEU 418 Cb 0.13 -1.84 0.40 0.00 0.03 0.00 0.00 46.19 44.90 1wbd s LEU 418 CO 0.78 0.14 1.64 -0.37 0.23 0.00 0.00 176.35 178.77 1wbd h VAL 419 N 2.97 1.41 -0.44 -1.59 -1.51 -1.91 -3.40 116.25 111.78 1wbd h VAL 419 Ca -0.48 -1.97 0.08 0.00 -1.23 0.00 0.00 66.70 63.10 1wbd h VAL 419 Cb 1.18 2.05 -0.08 0.00 -2.13 0.00 0.00 31.29 32.31 1wbd h VAL 419 CO 0.54 0.57 -0.13 -1.14 -1.23 0.00 0.00 177.57 176.18 1wbd n ARG 420 N -3.86 -0.06 -0.69 5.19 0.63 -1.26 -0.70 116.66 115.91 1wbd n ARG 420 Ca -0.01 0.69 0.08 0.00 -0.92 0.00 0.00 57.85 57.68 1wbd n ARG 420 Cb 0.58 -1.02 0.35 0.00 0.45 0.00 0.00 32.46 32.82 1wbd n ARG 420 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1wbd n ASP 421 N -4.70 4.93 0.00 6.15 8.00 -1.26 -5.08 116.55 124.59 1wbd n ASP 421 Ca 0.06 -2.86 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1wbd n ASP 421 Cb 0.21 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1wbd n ASP 421 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wbd n GLY 422 N 0.33 0.49 2.37 0.44 0.00 0.12 -4.95 105.19 104.00 1wbd n GLY 422 Ca 0.25 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1wbd n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbd n GLY 423 N 0.00 0.91 0.13 -0.02 0.00 -1.26 -4.85 105.19 100.09 1wbd n GLY 423 Ca 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 1wbd n GLY 423 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wbd n VAL 424 N -3.07 1.32 -2.63 1.61 0.24 -1.26 -4.53 118.33 110.00 1wbd n VAL 424 Ca -0.15 -0.48 -0.41 0.00 -2.04 0.00 0.00 64.34 61.25 1wbd n VAL 424 Cb 0.53 -1.38 -0.04 0.00 -1.47 0.00 0.00 33.84 31.48 1wbd n VAL 424 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1wbd s ILE 425 N -2.46 4.35 0.63 1.34 -1.09 -1.26 -1.73 121.20 120.98 1wbd s ILE 425 Ca -0.31 1.88 -0.15 0.00 -2.23 0.00 0.00 60.65 59.84 1wbd s ILE 425 Cb 0.09 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1wbd s ILE 425 CO 0.51 0.26 1.09 0.00 -1.23 0.00 0.00 174.94 175.57 1wbd s ALA 426 N 0.24 2.58 0.08 9.38 0.00 -0.38 -4.74 121.76 128.92 1wbd s ALA 426 Ca 0.50 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 1wbd s ALA 426 Cb -0.25 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1wbd s ALA 426 CO 0.31 -1.09 0.95 -1.54 0.00 0.00 0.00 175.76 174.38 1wbd s SER 427 N -2.68 7.44 0.00 0.00 1.04 -1.26 -3.21 113.70 115.02 1wbd s SER 427 Ca 0.65 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.82 1wbd s SER 427 Cb -0.19 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1wbd s SER 427 CO 0.40 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1wbd n GLY 428 N 2.40 0.56 0.16 7.32 0.00 -1.26 -4.96 105.19 109.40 1wbd n GLY 428 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1wbd n GLY 428 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wbd h TYR 429 N 0.00 0.96 -3.44 1.61 3.20 -1.75 -3.46 116.97 114.10 1wbd h TYR 429 Ca 0.00 -0.66 -0.36 0.00 3.14 0.00 0.00 58.73 60.85 1wbd h TYR 429 Cb 0.00 -0.06 -0.35 0.00 1.54 0.00 0.00 36.73 37.86 1wbd h TYR 429 CO 0.00 1.50 -0.75 1.21 -1.64 0.00 0.00 178.16 178.49 1wbd s ASN 430 N -7.49 0.65 0.09 -2.11 3.84 -1.26 -5.06 114.94 103.61 1wbd s ASN 430 Ca -0.09 -0.02 -0.16 0.00 0.21 0.00 0.00 52.86 52.81 1wbd s ASN 430 Cb 0.05 -0.23 -0.09 0.00 -0.55 0.00 0.00 41.25 40.43 1wbd s ASN 430 CO 0.94 -0.13 1.43 -0.08 -2.79 0.00 0.00 177.10 176.47 1wbd h GLU 431 N 7.54 0.64 -0.70 0.43 4.81 -2.00 -2.68 114.58 122.63 1wbd h GLU 431 Ca -0.36 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 58.61 1wbd h GLU 431 Cb 1.13 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1wbd h GLU 431 CO 0.40 0.91 0.41 1.49 -0.73 0.00 0.00 179.01 181.50 1wbd h GLU 432 N 0.37 0.76 -0.54 1.92 4.81 -2.00 -2.53 114.58 117.37 1wbd h GLU 432 Ca 0.05 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1wbd h GLU 432 Cb 0.76 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1wbd h GLU 432 CO 0.06 0.50 0.11 1.25 -0.73 0.00 0.00 179.01 180.19 1wbd h LEU 433 N 0.78 0.78 -1.10 1.64 5.85 -1.95 -2.60 115.31 118.73 1wbd h LEU 433 Ca 0.30 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1wbd h LEU 433 Cb 0.12 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1wbd h LEU 433 CO -0.15 0.79 -0.25 0.44 -0.34 0.00 0.00 178.44 178.92 1wbd h ASP 434 N 0.80 0.33 -0.12 1.25 3.32 -1.12 -2.19 116.42 118.70 1wbd h ASP 434 Ca 0.17 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1wbd h ASP 434 Cb 0.33 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1wbd h ASP 434 CO 0.00 0.58 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.45 1wbd h GLU 435 N 0.29 0.42 -0.69 3.56 5.08 -1.19 -1.78 114.58 120.28 1wbd h GLU 435 Ca 0.05 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1wbd h GLU 435 Cb 0.61 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1wbd h GLU 435 CO 0.04 0.92 0.37 -1.49 -1.00 0.00 0.00 179.01 177.85 1wbd h TRP 436 N 0.00 0.93 -0.36 4.33 -0.00 -1.39 0.19 115.95 119.66 1wbd h TRP 436 Ca -0.01 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.89 58.76 1wbd h TRP 436 Cb 0.94 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.16 29.79 1wbd h TRP 436 CO 0.11 0.66 -0.20 0.00 -0.00 0.00 0.00 178.44 179.01 1wbd h ARG 437 N 0.96 0.67 -0.09 0.49 3.08 -1.37 -0.90 114.38 117.22 1wbd h ARG 437 Ca 0.24 -0.25 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1wbd h ARG 437 Cb 0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1wbd h ARG 437 CO -0.04 0.82 -0.74 0.00 -1.07 0.00 0.00 179.97 178.94 1wbd h ALA 438 N 1.19 0.55 -0.20 0.04 0.00 -0.81 -0.80 119.26 119.22 1wbd h ALA 438 Ca 0.09 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1wbd h ALA 438 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1wbd h ALA 438 CO 0.05 0.75 -0.34 -0.07 0.00 0.00 0.00 179.25 179.64 1wbd h LEU 439 N 0.32 0.44 -0.12 0.00 3.38 -0.77 -1.23 115.31 117.32 1wbd h LEU 439 Ca -0.04 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1wbd h LEU 439 Cb 1.33 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wbd h LEU 439 CO 0.13 0.75 -0.18 0.00 0.09 0.00 0.00 178.44 179.23 1wbd h ALA 440 N 1.28 0.19 0.00 1.53 0.00 -1.06 -2.72 119.26 118.48 1wbd h ALA 440 Ca 0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1wbd h ALA 440 Cb 0.77 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wbd h ALA 440 CO 0.06 0.11 -0.16 -0.44 0.00 0.00 0.00 179.25 178.82 1wbd h ASP 441 N -0.07 0.00 0.60 0.00 3.32 -1.05 0.28 116.42 119.50 1wbd h ASP 441 Ca 0.01 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.79 1wbd h ASP 441 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1wbd h ASP 441 CO 0.04 0.16 -1.21 1.23 -1.72 0.00 0.00 179.24 177.74 1wbd h GLY 442 N 0.82 0.33 1.72 2.75 0.00 -1.19 0.27 103.07 107.77 1wbd h GLY 442 Ca -0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 47.33 46.37 1wbd h GLY 442 CO 0.02 0.71 -0.64 0.00 0.00 0.00 0.00 176.54 176.62 1wbd h ALA 443 N 0.59 0.77 -0.21 3.60 0.00 -1.17 -1.53 119.26 121.31 1wbd h ALA 443 Ca -0.13 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 1wbd h ALA 443 Cb 1.93 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1wbd h ALA 443 CO 0.20 0.75 -0.54 1.15 0.00 0.00 0.00 179.25 180.81 1wbd h THR 444 N 0.20 1.31 -0.48 0.00 2.02 -0.91 -2.59 112.91 112.46 1wbd h THR 444 Ca -0.01 -1.77 -0.10 0.00 0.77 0.00 0.00 66.41 65.29 1wbd h THR 444 Cb 1.17 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1wbd h THR 444 CO 0.10 0.56 -0.12 0.44 0.37 0.00 0.00 175.52 176.87 1wbd h ASP 445 N 0.49 0.89 -0.55 4.18 5.19 -0.93 -2.75 116.42 122.94 1wbd h ASP 445 Ca 0.01 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 1wbd h ASP 445 Cb 1.10 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 1wbd h ASP 445 CO 0.11 1.02 0.32 0.22 -3.12 0.00 0.00 179.24 177.78 1wbd h TYR 446 N 0.80 0.73 0.00 4.55 5.03 -1.09 -2.65 116.97 124.34 1wbd h TYR 446 Ca 0.13 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.32 1wbd h TYR 446 Cb 0.64 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 1wbd h TYR 446 CO 0.04 0.52 -0.51 -0.07 -1.32 0.00 0.00 178.16 176.82 1wbd h LEU 447 N 0.73 0.00 -0.67 2.82 3.38 -1.32 0.80 115.31 121.05 1wbd h LEU 447 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1wbd h LEU 447 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1wbd h LEU 447 CO -0.03 0.51 -0.09 -0.33 0.09 0.00 0.00 178.44 178.59 1wbd h GLU 448 N 0.00 0.94 0.00 1.13 5.08 -1.31 -1.70 114.58 118.72 1wbd h GLU 448 Ca -0.01 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 1wbd h GLU 448 Cb 0.96 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1wbd h GLU 448 CO 0.07 0.98 -0.57 0.00 -1.00 0.00 0.00 179.01 178.49 1wbd h ARG 449 N 0.85 0.00 -0.43 2.33 3.08 -1.09 -2.82 114.38 116.31 1wbd h ARG 449 Ca 0.14 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1wbd h ARG 449 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1wbd h ARG 449 CO 0.04 0.57 -0.11 1.25 -1.07 0.00 0.00 179.97 180.65 1wbd h LEU 450 N 0.00 0.76 -0.05 3.04 6.46 -0.75 -1.27 115.31 123.50 1wbd h LEU 450 Ca -0.01 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 1wbd h LEU 450 Cb 1.24 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1wbd h LEU 450 CO 0.07 0.90 0.01 -0.08 -0.62 0.00 0.00 178.44 178.73 1wbd h GLU 451 N 0.70 0.09 0.00 1.25 4.81 -1.13 -0.30 114.58 120.00 1wbd h GLU 451 Ca 0.12 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1wbd h GLU 451 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1wbd h GLU 451 CO 0.04 0.30 -0.27 0.28 -0.73 0.00 0.00 179.01 178.63 1wbd h VAL 452 N -0.13 1.10 -0.02 0.32 2.07 -1.49 -1.49 116.25 116.60 1wbd h VAL 452 Ca 0.02 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 1wbd h VAL 452 Cb 0.25 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1wbd h VAL 452 CO 0.00 0.26 -0.27 -0.09 0.02 0.00 0.00 177.57 177.50 1wbd h ARG 453 N 0.00 0.22 -0.23 1.57 2.43 -0.99 -2.13 114.38 115.25 1wbd h ARG 453 Ca -0.00 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 58.87 1wbd h ARG 453 Cb 0.50 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1wbd h ARG 453 CO 0.03 0.90 -0.25 0.93 -1.51 0.00 0.00 179.97 180.08 1wbd h GLU 454 N -0.39 0.43 -0.17 0.20 4.39 -1.01 -2.24 114.58 115.78 1wbd h GLU 454 Ca -0.03 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 1wbd h GLU 454 Cb 0.98 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1wbd h GLU 454 CO 0.05 0.65 -0.37 -0.09 -1.16 0.00 0.00 179.01 178.10 1wbd h ARG 455 N 0.38 0.37 0.06 2.33 2.43 -1.29 -2.54 114.38 116.12 1wbd h ARG 455 Ca 0.06 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1wbd h ARG 455 Cb 0.64 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1wbd h ARG 455 CO 0.05 0.69 -0.03 1.49 -1.51 0.00 0.00 179.97 180.65 1wbd h GLU 456 N 0.31 -0.08 0.16 0.20 4.22 -1.12 -2.89 114.58 115.39 1wbd h GLU 456 Ca 0.03 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.49 1wbd h GLU 456 Cb 0.79 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1wbd h GLU 456 CO 0.06 0.49 -0.46 0.00 -2.18 0.00 0.00 179.01 176.92 1wbd h ARG 457 N -0.74 -0.70 0.00 1.92 3.08 -1.43 -3.00 114.38 113.52 1wbd h ARG 457 Ca -0.01 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1wbd h ARG 457 Cb 0.61 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1wbd h ARG 457 CO 0.01 -0.47 -0.12 1.79 -1.07 0.00 0.00 179.97 180.12 1wbd h THR 458 N -0.73 0.30 -1.04 2.04 1.35 -1.60 -3.47 112.91 109.76 1wbd h THR 458 Ca 0.00 -0.82 -0.19 0.00 -0.55 0.00 0.00 66.41 64.86 1wbd h THR 458 Cb 0.73 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.76 1wbd h THR 458 CO -0.24 0.11 -0.22 0.61 -0.25 0.00 0.00 175.52 175.54 1wbd n GLY 459 N 0.08 0.33 3.17 5.82 0.00 -1.09 -5.01 105.19 108.49 1wbd n GLY 459 Ca 0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 1wbd n GLY 459 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wbd s LEU 460 N -2.48 5.28 0.20 0.99 1.43 -1.21 -4.98 118.68 117.92 1wbd s LEU 460 Ca 0.00 -1.89 0.19 0.00 -1.03 0.00 0.00 54.13 51.40 1wbd s LEU 460 Cb 0.00 -1.89 0.86 0.00 0.03 0.00 0.00 46.19 45.19 1wbd s LEU 460 CO 0.00 -0.57 1.57 -0.90 0.23 0.00 0.00 176.35 176.68 1wbd n ASP 461 N 4.72 0.45 -0.67 2.29 5.75 -1.26 -2.02 116.55 125.80 1wbd n ASP 461 Ca -0.05 0.65 0.13 0.00 -0.01 0.00 0.00 54.79 55.50 1wbd n ASP 461 Cb 0.41 -0.73 0.31 0.00 -1.03 0.00 0.00 41.12 40.08 1wbd n ASP 461 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1wbd n THR 462 N -2.04 0.00 -2.28 2.12 -2.24 -1.26 -4.95 114.28 103.64 1wbd n THR 462 Ca 0.01 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 1wbd n THR 462 Cb 0.14 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1wbd n THR 462 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1wbd s LEU 463 N -2.05 4.45 0.18 3.22 0.20 -0.86 -4.50 118.68 119.31 1wbd s LEU 463 Ca 0.32 2.40 -0.20 0.00 0.69 0.00 0.00 54.13 57.34 1wbd s LEU 463 Cb 0.20 -3.62 0.04 0.00 -0.43 0.00 0.00 46.19 42.39 1wbd s LEU 463 CO 0.34 -0.42 0.54 -1.59 -0.29 0.00 0.00 176.35 174.94 1wbd s LYS 464 N -0.74 1.32 -0.17 1.98 -2.85 -0.78 -4.92 119.74 113.58 1wbd s LYS 464 Ca 0.52 -0.70 -0.05 0.00 -1.00 0.00 0.00 55.97 54.74 1wbd s LYS 464 Cb -0.35 0.54 -0.03 0.00 -2.06 0.00 0.00 37.83 35.93 1wbd s LYS 464 CO 0.41 -0.56 -0.01 0.08 0.10 0.00 0.00 175.35 175.37 1wbd s VAL 465 N -3.82 4.01 0.39 1.79 1.01 -1.26 -0.18 120.40 122.34 1wbd s VAL 465 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1wbd s VAL 465 Cb -0.01 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1wbd s VAL 465 CO -0.08 0.47 0.01 0.61 0.00 0.00 0.00 175.10 176.11 1wbd n GLY 466 N 3.76 3.69 3.05 4.51 0.00 -0.60 -4.97 105.19 114.64 1wbd n GLY 466 Ca -0.17 -2.31 -0.13 0.00 0.00 0.00 0.00 46.02 43.41 1wbd n GLY 466 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wbd s PHE 467 N -2.44 -0.22 0.25 1.61 2.19 -1.26 -1.81 117.98 116.29 1wbd s PHE 467 Ca 0.01 0.55 -0.15 0.00 0.33 0.00 0.00 56.93 57.68 1wbd s PHE 467 Cb 0.00 0.05 0.00 0.00 -1.31 0.00 0.00 43.02 41.76 1wbd s PHE 467 CO 0.01 -0.13 0.53 0.54 1.83 0.00 0.00 175.22 177.99 1wbd s ASN 468 N 0.42 -0.14 0.38 6.13 4.22 -0.47 -5.00 114.94 120.49 1wbd s ASN 468 Ca -0.03 -0.82 0.10 0.00 -2.14 0.00 0.00 52.86 49.97 1wbd s ASN 468 Cb -0.04 0.61 0.75 0.00 1.28 0.00 0.00 41.25 43.85 1wbd s ASN 468 CO -0.02 -1.17 1.88 0.00 -2.04 0.00 0.00 177.10 175.75 1wbd h ALA 469 N 2.21 1.45 0.04 3.54 0.00 -2.03 0.70 119.26 125.17 1wbd h ALA 469 Ca -0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wbd h ALA 469 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wbd h ALA 469 CO 0.33 0.39 -0.02 0.28 0.00 0.00 0.00 179.25 180.23 1wbd h VAL 470 N 0.15 1.29 -0.30 0.00 2.07 -2.04 -3.36 116.25 114.07 1wbd h VAL 470 Ca 0.03 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1wbd h VAL 470 Cb 0.49 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1wbd h VAL 470 CO 0.03 0.30 0.00 1.41 0.02 0.00 0.00 177.57 179.33 1wbd n HIS 471 N -4.87 0.39 0.00 1.57 8.25 -1.17 -5.07 115.22 114.32 1wbd n HIS 471 Ca -0.09 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 1wbd n HIS 471 Cb 0.27 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1wbd n HIS 471 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wbd n GLY 472 N 0.85 3.11 3.80 -1.41 0.00 0.23 -4.53 105.19 107.24 1wbd n GLY 472 Ca 0.13 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1wbd n GLY 472 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wbd s TYR 473 N 0.00 3.77 0.08 1.61 1.51 -1.26 -1.37 117.35 121.70 1wbd s TYR 473 Ca 0.00 1.44 -0.06 0.00 -1.01 0.00 0.00 57.07 57.44 1wbd s TYR 473 Cb 0.00 -2.64 -0.01 0.00 -0.11 0.00 0.00 41.96 39.20 1wbd s TYR 473 CO 0.00 0.46 0.13 1.52 -1.11 0.00 0.00 175.55 176.54 1wbd s TYR 474 N -1.30 0.31 -0.25 2.71 -0.85 -0.75 -4.86 117.35 112.34 1wbd s TYR 474 Ca 0.37 -0.76 -0.09 0.00 -0.52 0.00 0.00 57.07 56.07 1wbd s TYR 474 Cb -0.19 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.93 1wbd s TYR 474 CO 0.22 -0.51 0.11 0.42 -1.52 0.00 0.00 175.55 174.28 1wbd s ILE 475 N -3.89 4.73 -0.01 -3.49 1.01 0.13 -1.55 121.20 118.13 1wbd s ILE 475 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 1wbd s ILE 475 Cb 0.06 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1wbd s ILE 475 CO -0.09 0.32 0.16 -1.58 0.00 0.00 0.00 174.94 173.75 1wbd s GLN 476 N 1.53 3.36 -0.03 2.79 0.74 0.75 -0.71 119.66 128.10 1wbd s GLN 476 Ca 0.06 -0.35 -0.03 0.00 0.05 0.00 0.00 55.36 55.09 1wbd s GLN 476 Cb -0.15 -3.05 0.01 0.00 1.10 0.00 0.00 33.01 30.91 1wbd s GLN 476 CO 0.06 0.67 0.09 0.42 -0.55 0.00 0.00 175.29 175.98 1wbd s ILE 477 N -1.29 0.01 0.87 -2.34 1.01 -0.75 -1.87 121.20 116.85 1wbd s ILE 477 Ca 0.26 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 1wbd s ILE 477 Cb -0.12 -0.16 0.12 0.00 0.01 0.00 0.00 42.46 42.30 1wbd s ILE 477 CO 0.17 -0.06 1.11 -0.94 0.00 0.00 0.00 174.94 175.22 1wbd s SER 478 N -0.15 3.50 0.30 3.58 1.04 -1.26 -1.03 113.70 119.69 1wbd s SER 478 Ca -0.02 1.86 -0.01 0.00 0.48 0.00 0.00 55.95 58.26 1wbd s SER 478 Cb -0.02 -2.45 0.46 0.00 0.10 0.00 0.00 66.02 64.11 1wbd s SER 478 CO 0.00 -2.68 1.95 -0.09 0.98 0.00 0.00 173.24 173.40 1wbd h ARG 479 N -1.57 1.00 0.00 4.02 2.43 -1.69 0.30 114.38 118.87 1wbd h ARG 479 Ca -0.46 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 58.54 1wbd h ARG 479 Cb 1.26 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1wbd h ARG 479 CO 0.49 0.70 -0.40 0.78 -1.51 0.00 0.00 179.97 180.03 1wbd h GLY 480 N 1.05 0.00 0.00 2.80 0.00 -1.92 -3.14 103.07 101.86 1wbd h GLY 480 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1wbd h GLY 480 CO -0.05 0.00 -1.19 -1.06 0.00 0.00 0.00 176.54 174.24 1wbd n GLN 481 N -3.93 0.57 0.29 4.80 6.02 -1.05 -4.61 117.38 119.48 1wbd n GLN 481 Ca -0.02 -0.05 0.18 0.00 -0.01 0.00 0.00 57.00 57.10 1wbd n GLN 481 Cb 0.45 -1.44 0.89 0.00 1.02 0.00 0.00 30.24 31.17 1wbd n GLN 481 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wbd h SER 482 N 0.00 0.00 0.24 1.08 4.64 -0.89 -1.36 113.55 117.27 1wbd h SER 482 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wbd h SER 482 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1wbd h SER 482 CO 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1wbd n HIS 483 N -3.30 0.00 -1.15 4.77 1.44 -1.26 -1.98 115.22 113.74 1wbd n HIS 483 Ca -0.02 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.75 1wbd n HIS 483 Cb 0.19 -0.24 0.22 0.00 0.12 0.00 0.00 29.99 30.29 1wbd n HIS 483 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1wbd n LEU 484 N -1.24 3.68 -4.73 2.39 4.77 -0.51 -5.01 117.00 116.34 1wbd n LEU 484 Ca 0.08 -3.27 -0.41 0.00 -0.03 0.00 0.00 56.01 52.38 1wbd n LEU 484 Cb 0.11 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 1wbd n LEU 484 CO 0.11 0.86 0.97 0.00 -1.33 0.00 0.00 177.39 178.00 1wbd s ALA 485 N -2.97 3.50 0.59 -1.18 0.00 -0.84 -4.98 121.76 115.88 1wbd s ALA 485 Ca 0.41 1.05 -0.19 0.00 0.00 0.00 0.00 51.96 53.23 1wbd s ALA 485 Cb 0.35 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 1wbd s ALA 485 CO 0.05 -0.50 0.99 -2.30 0.00 0.00 0.00 175.76 173.99 1wbd n PRO 486 N 2.91 0.96 0.24 0.00 -0.02 -1.26 -4.88 135.00 132.95 1wbd n PRO 486 Ca 0.07 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1wbd n PRO 486 Cb 0.43 -2.18 0.56 0.00 -0.02 0.00 0.00 33.50 32.29 1wbd n PRO 486 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1wbd h ILE 487 N 0.60 0.44 0.00 4.25 2.04 -2.02 -1.70 117.51 121.12 1wbd h ILE 487 Ca -0.48 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1wbd h ILE 487 Cb 1.36 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1wbd h ILE 487 CO 0.51 0.16 0.00 -0.55 0.00 0.00 0.00 178.15 178.27 1wbd h ASN 488 N 0.00 0.00 -2.81 1.72 -1.07 -1.98 -3.44 115.58 108.00 1wbd h ASN 488 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 56.30 55.83 1wbd h ASN 488 Cb 0.63 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.87 1wbd h ASN 488 CO 0.02 0.00 0.91 -0.31 0.07 0.00 0.00 177.43 178.12 1wbd s TYR 489 N -3.29 2.62 -0.39 4.14 1.51 -0.64 -4.78 117.35 116.52 1wbd s TYR 489 Ca 0.06 0.62 -0.15 0.00 -1.01 0.00 0.00 57.07 56.59 1wbd s TYR 489 Cb 0.10 -3.76 0.01 0.00 -0.11 0.00 0.00 41.96 38.20 1wbd s TYR 489 CO 0.46 -2.93 0.30 -1.64 -1.11 0.00 0.00 175.55 170.62 1wbd s MET 490 N 2.76 3.11 0.35 -0.62 -1.94 -0.55 -4.94 119.30 117.48 1wbd s MET 490 Ca 0.67 -0.90 -0.28 0.00 -1.71 0.00 0.00 55.69 53.48 1wbd s MET 490 Cb -0.33 -3.94 -0.12 0.00 2.01 0.00 0.00 34.83 32.45 1wbd s MET 490 CO 0.28 -0.69 1.26 -2.13 -0.01 0.00 0.00 175.02 173.73 1wbd n ARG 491 N 5.19 2.04 0.00 2.03 0.63 -1.26 -1.62 116.66 123.68 1wbd n ARG 491 Ca -0.11 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 1wbd n ARG 491 Cb 0.48 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 31.09 1wbd n ARG 491 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wbd n ARG 492 N 0.51 0.78 -3.66 -0.14 5.12 -0.43 -4.89 116.66 113.95 1wbd n ARG 492 Ca 0.05 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.91 1wbd n ARG 492 Cb 0.36 -0.61 -0.08 0.00 -1.16 0.00 0.00 32.46 30.98 1wbd n ARG 492 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1wbd s GLN 493 N -1.22 0.49 -0.22 5.56 0.74 -1.14 -5.00 119.66 118.88 1wbd s GLN 493 Ca 0.00 1.16 -0.17 0.00 0.05 0.00 0.00 55.36 56.39 1wbd s GLN 493 Cb 0.00 0.39 -0.03 0.00 1.10 0.00 0.00 33.01 34.47 1wbd s GLN 493 CO 0.00 -0.20 0.48 0.99 -0.55 0.00 0.00 175.29 176.01 1wbd s THR 494 N 2.27 5.12 0.51 -0.34 2.01 -1.26 -0.90 115.64 123.06 1wbd s THR 494 Ca -0.06 0.86 0.08 0.00 0.31 0.00 0.00 61.69 62.88 1wbd s THR 494 Cb -0.10 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.66 1wbd s THR 494 CO -0.16 0.17 0.70 -0.76 -0.69 0.00 0.00 174.62 173.89 1wbd s LEU 495 N 1.73 3.35 0.41 4.42 1.43 0.60 -5.01 118.68 125.60 1wbd s LEU 495 Ca 0.22 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1wbd s LEU 495 Cb -0.15 -2.15 0.84 0.00 0.03 0.00 0.00 46.19 44.76 1wbd s LEU 495 CO 0.09 -1.10 2.05 0.50 0.23 0.00 0.00 176.35 178.11 1wbd h LYS 496 N 0.34 0.53 -0.16 1.70 3.64 -2.03 -3.22 116.57 117.37 1wbd h LYS 496 Ca -0.35 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 58.79 1wbd h LYS 496 Cb 1.28 -0.12 -0.35 0.00 -0.41 0.00 0.00 32.23 32.63 1wbd h LYS 496 CO 0.43 0.37 -1.00 -1.71 -2.27 0.00 0.00 179.45 175.27 1wbd n ASN 497 N -4.46 1.44 -3.54 4.20 5.15 -1.26 -4.97 115.26 111.81 1wbd n ASN 497 Ca 0.03 -2.29 -0.07 0.00 -0.60 0.00 0.00 54.58 51.64 1wbd n ASN 497 Cb 0.07 -0.38 -0.02 0.00 -0.53 0.00 0.00 39.78 38.93 1wbd n ASN 497 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wbd s ALA 498 N -1.59 -1.84 -0.03 5.20 0.00 -1.22 -1.94 121.76 120.34 1wbd s ALA 498 Ca 0.33 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.32 1wbd s ALA 498 Cb 0.37 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 1wbd s ALA 498 CO -0.11 -0.72 -0.14 -1.21 0.00 0.00 0.00 175.76 173.58 1wbd s GLU 499 N -3.05 1.40 -0.07 0.00 0.41 -0.19 -0.29 118.70 116.90 1wbd s GLU 499 Ca 0.06 -0.50 0.02 0.00 -0.41 0.00 0.00 54.97 54.14 1wbd s GLU 499 Cb -0.01 -1.26 -0.03 0.00 -1.78 0.00 0.00 34.13 31.05 1wbd s GLU 499 CO -0.07 0.22 -0.11 1.03 -0.49 0.00 0.00 175.26 175.84 1wbd s ARG 500 N -0.01 2.73 0.22 1.61 0.52 -0.08 -1.81 118.95 122.13 1wbd s ARG 500 Ca -0.01 -0.63 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 1wbd s ARG 500 Cb -0.09 -2.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.82 1wbd s ARG 500 CO 0.01 0.59 -0.09 0.71 0.02 0.00 0.00 175.30 176.53 1wbd s TYR 501 N -0.62 1.68 0.20 -0.53 1.51 0.11 -1.32 117.35 118.39 1wbd s TYR 501 Ca 0.09 -0.69 0.10 0.00 -1.01 0.00 0.00 57.07 55.56 1wbd s TYR 501 Cb -0.11 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1wbd s TYR 501 CO 0.01 0.23 -0.20 0.96 -1.11 0.00 0.00 175.55 175.45 1wbd s ILE 502 N -3.11 2.08 0.20 2.71 -4.36 -0.64 -0.69 121.20 117.39 1wbd s ILE 502 Ca 0.24 -2.09 0.06 0.00 -0.26 0.00 0.00 60.65 58.60 1wbd s ILE 502 Cb 0.02 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 1wbd s ILE 502 CO 0.07 -0.32 -0.10 0.27 0.24 0.00 0.00 174.94 175.10 1wbd s ILE 503 N -2.18 1.42 0.23 8.37 -4.36 -1.26 -1.48 121.20 121.94 1wbd s ILE 503 Ca 0.21 -2.12 -0.07 0.00 -0.26 0.00 0.00 60.65 58.40 1wbd s ILE 503 Cb -0.05 -2.06 0.19 0.00 1.25 0.00 0.00 42.46 41.78 1wbd s ILE 503 CO 0.09 -0.58 1.86 1.55 0.24 0.00 0.00 174.94 178.10 1wbd h PRO 504 N 2.59 0.93 -0.98 0.37 0.13 -2.00 -2.42 132.00 130.62 1wbd h PRO 504 Ca -0.38 -0.06 0.17 0.00 -0.87 0.00 0.00 66.00 64.87 1wbd h PRO 504 Cb 1.21 -0.21 -0.09 0.00 0.13 0.00 0.00 31.00 32.04 1wbd h PRO 504 CO 0.63 0.62 0.61 1.49 -0.23 0.00 0.00 178.00 181.12 1wbd h GLU 505 N 0.96 0.74 -0.24 0.86 4.81 -2.00 -1.04 114.58 118.67 1wbd h GLU 505 Ca 0.34 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 1wbd h GLU 505 Cb 0.09 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1wbd h GLU 505 CO -0.14 0.49 -0.22 1.25 -0.73 0.00 0.00 179.01 179.66 1wbd h LEU 506 N 0.76 0.62 -1.20 1.64 5.85 -1.85 -3.01 115.31 118.12 1wbd h LEU 506 Ca 0.53 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1wbd h LEU 506 Cb 0.82 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1wbd h LEU 506 CO -0.30 0.95 -0.39 0.11 -0.34 0.00 0.00 178.44 178.48 1wbd h LYS 507 N 0.29 0.00 0.33 1.25 6.56 -1.24 -2.19 116.57 121.57 1wbd h LYS 507 Ca 0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1wbd h LYS 507 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1wbd h LYS 507 CO 0.06 0.39 -0.16 1.49 -2.06 0.00 0.00 179.45 179.16 1wbd h GLU 508 N 0.00 -0.42 0.00 3.15 4.81 -1.12 -2.81 114.58 118.19 1wbd h GLU 508 Ca -0.00 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1wbd h GLU 508 Cb 0.73 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1wbd h GLU 508 CO 0.05 -0.18 -0.32 1.88 -0.73 0.00 0.00 179.01 179.71 1wbd h TYR 509 N -0.61 0.00 -0.73 0.92 -1.99 -1.49 -2.56 116.97 110.52 1wbd h TYR 509 Ca -0.04 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.74 1wbd h TYR 509 Cb 0.44 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.11 1wbd h TYR 509 CO -0.01 0.32 0.43 1.49 -0.00 0.00 0.00 178.16 180.38 1wbd h GLU 510 N 0.00 0.76 -0.64 4.88 4.81 -1.35 -1.61 114.58 121.42 1wbd h GLU 510 Ca -0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1wbd h GLU 510 Cb 1.01 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1wbd h GLU 510 CO 0.04 0.50 0.27 0.22 -0.73 0.00 0.00 179.01 179.31 1wbd h ASP 511 N 0.78 0.85 -0.16 1.04 1.82 -1.19 -0.74 116.42 118.83 1wbd h ASP 511 Ca 0.32 -0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.82 1wbd h ASP 511 Cb 0.18 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 1wbd h ASP 511 CO -0.18 0.75 -0.03 0.11 -1.61 0.00 0.00 179.24 178.28 1wbd h LYS 512 N 0.92 0.30 -0.34 0.28 1.57 -1.36 -2.26 116.57 115.67 1wbd h LYS 512 Ca 0.22 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1wbd h LYS 512 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1wbd h LYS 512 CO -0.02 0.56 0.22 0.28 -0.57 0.00 0.00 179.45 179.93 1wbd h VAL 513 N 0.01 1.08 0.02 0.50 2.07 -1.02 -2.29 116.25 116.62 1wbd h VAL 513 Ca 0.04 -0.16 -0.27 0.00 0.82 0.00 0.00 66.70 67.13 1wbd h VAL 513 Cb 0.45 0.58 0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1wbd h VAL 513 CO 0.01 0.08 -1.06 -0.07 0.02 0.00 0.00 177.57 176.55 1wbd h LEU 514 N 0.46 0.90 -0.19 2.57 4.07 -1.18 -2.06 115.31 119.87 1wbd h LEU 514 Ca 0.13 -0.75 -0.15 0.00 0.08 0.00 0.00 57.88 57.18 1wbd h LEU 514 Cb -0.05 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.42 1wbd h LEU 514 CO -0.03 1.54 -0.48 0.71 -1.08 0.00 0.00 178.44 179.10 1wbd h THR 515 N 0.36 1.32 0.29 0.22 1.35 -1.43 -2.06 112.91 112.97 1wbd h THR 515 Ca -0.14 -1.72 -0.01 0.00 -0.55 0.00 0.00 66.41 64.00 1wbd h THR 515 Cb 1.72 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 70.02 1wbd h THR 515 CO 0.21 0.54 -0.36 0.28 -0.25 0.00 0.00 175.52 175.94 1wbd h SER 516 N 0.35 -1.00 -1.08 5.36 0.02 -1.47 -1.69 113.55 114.04 1wbd h SER 516 Ca -0.01 0.09 0.29 0.00 -0.84 0.00 0.00 61.79 61.32 1wbd h SER 516 Cb 1.10 0.34 -0.09 0.00 0.14 0.00 0.00 62.40 63.89 1wbd h SER 516 CO 0.10 -0.45 0.71 0.11 -1.14 0.00 0.00 176.83 176.16 1wbd h LYS 517 N -0.67 0.30 -0.28 3.45 1.57 -1.42 -1.22 116.57 118.30 1wbd h LYS 517 Ca -0.04 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 1wbd h LYS 517 Cb 0.59 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1wbd h LYS 517 CO -0.08 0.20 -0.55 0.78 -0.57 0.00 0.00 179.45 179.23 1wbd h GLY 518 N 0.31 0.93 1.97 3.86 0.00 -1.05 -0.91 103.07 108.17 1wbd h GLY 518 Ca 0.60 -1.08 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 1wbd h GLY 518 CO -0.26 0.97 -0.61 0.50 0.00 0.00 0.00 176.54 177.14 1wbd h LYS 519 N 0.65 0.03 0.04 4.80 1.57 -0.32 -2.22 116.57 121.12 1wbd h LYS 519 Ca 0.01 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 1wbd h LYS 519 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1wbd h LYS 519 CO 0.12 0.63 -1.10 0.00 -0.57 0.00 0.00 179.45 178.53 1wbd h ALA 520 N 1.36 0.28 -0.21 3.86 0.00 -1.23 -2.35 119.26 120.98 1wbd h ALA 520 Ca -0.01 -0.92 -0.10 0.00 0.00 0.00 0.00 54.91 53.88 1wbd h ALA 520 Cb 1.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1wbd h ALA 520 CO 0.08 1.18 -0.25 1.25 0.00 0.00 0.00 179.25 181.51 1wbd h LEU 521 N 0.02 0.59 -1.54 0.00 5.85 -1.12 -1.00 115.31 118.12 1wbd h LEU 521 Ca -0.06 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.12 1wbd h LEU 521 Cb 1.84 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 1wbd h LEU 521 CO 0.15 0.96 -0.24 0.00 -0.34 0.00 0.00 178.44 178.98 1wbd h ALA 522 N 0.64 1.53 0.04 1.25 0.00 -1.46 -2.66 119.26 118.60 1wbd h ALA 522 Ca 0.03 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 1wbd h ALA 522 Cb 0.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1wbd h ALA 522 CO 0.06 0.30 -1.03 1.25 0.00 0.00 0.00 179.25 179.83 1wbd h LEU 523 N 0.00 0.25 -0.60 0.00 5.85 -1.27 -2.54 115.31 117.00 1wbd h LEU 523 Ca -0.00 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1wbd h LEU 523 Cb 0.44 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1wbd h LEU 523 CO 0.03 1.12 0.08 -0.33 -0.34 0.00 0.00 178.44 179.00 1wbd h GLU 524 N 0.07 1.00 -0.32 1.25 5.08 -0.94 -1.35 114.58 119.37 1wbd h GLU 524 Ca -0.06 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 57.87 1wbd h GLU 524 Cb 1.72 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1wbd h GLU 524 CO 0.16 0.95 -0.39 0.87 -1.00 0.00 0.00 179.01 179.59 1wbd h LYS 525 N 0.90 0.75 -0.12 2.33 1.57 -1.50 -0.45 116.57 120.05 1wbd h LYS 525 Ca 0.18 -0.39 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 1wbd h LYS 525 Cb 0.44 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1wbd h LYS 525 CO 0.01 1.01 -0.65 1.96 -0.57 0.00 0.00 179.45 181.22 1wbd h GLN 526 N 0.62 0.44 -0.13 3.15 1.08 -1.30 -1.90 115.11 117.07 1wbd h GLN 526 Ca 0.05 -0.32 -0.10 0.00 -1.45 0.00 0.00 58.65 56.83 1wbd h GLN 526 Cb 0.94 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 1wbd h GLN 526 CO 0.09 0.94 -0.38 -0.07 -0.95 0.00 0.00 178.83 178.46 1wbd h LEU 527 N 0.32 0.28 -0.21 1.46 3.38 -1.11 -2.56 115.31 116.87 1wbd h LEU 527 Ca -0.01 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 1wbd h LEU 527 Cb 1.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1wbd h LEU 527 CO 0.11 0.64 -0.41 0.22 0.09 0.00 0.00 178.44 179.10 1wbd h TYR 528 N 0.23 0.82 0.00 1.13 3.20 -0.87 -2.77 116.97 118.72 1wbd h TYR 528 Ca 0.02 -0.29 -0.03 0.00 3.14 0.00 0.00 58.73 61.57 1wbd h TYR 528 Cb 0.78 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1wbd h TYR 528 CO 0.02 1.06 -0.15 0.93 -1.64 0.00 0.00 178.16 178.38 1wbd h GLU 529 N 0.35 0.00 -0.05 1.82 4.39 -1.31 -2.26 114.58 117.52 1wbd h GLU 529 Ca 0.01 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.53 1wbd h GLU 529 Cb 1.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1wbd h GLU 529 CO 0.09 0.15 -0.75 1.49 -1.16 0.00 0.00 179.01 178.83 1wbd h GLU 530 N 0.00 0.33 -0.99 2.33 4.81 -1.26 -3.04 114.58 116.75 1wbd h GLU 530 Ca -0.00 -0.28 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1wbd h GLU 530 Cb 0.45 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1wbd h GLU 530 CO 0.02 0.93 0.64 -0.07 -0.73 0.00 0.00 179.01 179.80 1wbd h LEU 531 N 0.22 1.04 -0.60 1.64 3.38 -1.13 -1.67 115.31 118.20 1wbd h LEU 531 Ca -0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1wbd h LEU 531 Cb 1.32 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1wbd h LEU 531 CO 0.12 0.67 0.39 -0.26 0.09 0.00 0.00 178.44 179.46 1wbd h PHE 532 N 1.18 0.75 -0.65 1.13 -1.00 -1.53 -0.83 116.94 115.99 1wbd h PHE 532 Ca 0.42 0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.26 1wbd h PHE 532 Cb 0.12 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.39 1wbd h PHE 532 CO -0.00 0.48 0.43 -0.44 -1.61 0.00 0.00 178.31 177.16 1wbd h ASP 533 N 0.81 0.64 1.11 2.17 3.32 -1.25 -1.59 116.42 121.64 1wbd h ASP 533 Ca 0.22 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 1wbd h ASP 533 Cb -0.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1wbd h ASP 533 CO -0.05 0.44 -0.93 -0.07 -1.72 0.00 0.00 179.24 176.92 1wbd h LEU 534 N 0.75 0.00 0.12 1.55 3.38 -0.94 -3.38 115.31 116.78 1wbd h LEU 534 Ca 0.27 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.92 1wbd h LEU 534 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1wbd h LEU 534 CO -0.08 0.27 -1.64 -0.07 0.09 0.00 0.00 178.44 177.02 1wbd h LEU 535 N 0.00 0.40 -2.05 1.67 4.07 -0.94 -3.40 115.31 115.06 1wbd h LEU 535 Ca -0.05 -0.87 -0.01 0.00 0.08 0.00 0.00 57.88 57.03 1wbd h LEU 535 Cb 1.25 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 1wbd h LEU 535 CO 0.03 1.71 -0.03 -0.07 -1.08 0.00 0.00 178.44 179.00 1wbd h LEU 536 N -0.19 0.00 -2.16 1.67 3.38 -1.47 -2.14 115.31 114.40 1wbd h LEU 536 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1wbd h LEU 536 Cb 1.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1wbd h LEU 536 CO 0.06 0.03 -0.04 -0.65 0.09 0.00 0.00 178.44 177.93 1wbd h PRO 537 N 0.00 0.00 -0.63 1.13 0.11 -1.78 -2.09 132.00 128.74 1wbd h PRO 537 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wbd h PRO 537 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1wbd h PRO 537 CO 0.00 0.04 0.00 0.72 -0.21 0.00 0.00 178.00 178.55 1wbd n HIS 538 N -3.27 1.01 -0.19 0.65 8.25 -0.80 -4.64 115.22 116.22 1wbd n HIS 538 Ca -0.01 -0.45 -0.00 0.00 -0.26 0.00 0.00 57.72 56.99 1wbd n HIS 538 Cb 0.20 -0.08 0.10 0.00 1.12 0.00 0.00 29.99 31.32 1wbd n HIS 538 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1wbd h LEU 539 N 3.60 0.12 -0.36 2.41 5.85 -1.46 -1.62 115.31 123.85 1wbd h LEU 539 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1wbd h LEU 539 Cb 1.01 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1wbd h LEU 539 CO 0.08 0.08 0.20 -0.08 -0.34 0.00 0.00 178.44 178.38 1wbd h GLU 540 N 0.33 0.40 -0.02 1.25 4.81 -1.84 -1.06 114.58 118.45 1wbd h GLU 540 Ca 0.30 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1wbd h GLU 540 Cb 0.40 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1wbd h GLU 540 CO -0.34 0.27 -0.45 0.00 -0.73 0.00 0.00 179.01 177.76 1wbd h ALA 541 N 1.16 1.21 -0.15 2.92 0.00 -1.82 -2.56 119.26 120.03 1wbd h ALA 541 Ca 0.14 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1wbd h ALA 541 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wbd h ALA 541 CO -0.07 0.58 -0.54 -0.07 0.00 0.00 0.00 179.25 179.14 1wbd h LEU 542 N 0.04 0.48 -0.60 0.00 3.38 -0.91 -1.33 115.31 116.37 1wbd h LEU 542 Ca -0.00 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 1wbd h LEU 542 Cb 0.82 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1wbd h LEU 542 CO 0.06 0.93 -0.57 1.56 0.09 0.00 0.00 178.44 180.51 1wbd h GLN 543 N 0.33 0.38 -0.51 1.13 4.20 -0.92 -1.72 115.11 118.01 1wbd h GLN 543 Ca 0.01 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1wbd h GLN 543 Cb 1.06 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 1wbd h GLN 543 CO 0.10 0.85 0.28 1.96 -0.67 0.00 0.00 178.83 181.35 1wbd h GLN 544 N 0.29 0.71 -0.00 1.46 4.20 -1.39 -2.22 115.11 118.16 1wbd h GLN 544 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1wbd h GLN 544 Cb 1.09 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 1wbd h GLN 544 CO 0.10 0.55 -0.01 1.03 -0.67 0.00 0.00 178.83 179.83 1wbd h SER 545 N 0.68 -0.04 -0.21 1.46 0.87 -0.92 -1.42 113.55 113.97 1wbd h SER 545 Ca 0.18 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1wbd h SER 545 Cb 0.05 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1wbd h SER 545 CO -0.03 -0.02 0.08 0.00 -0.53 0.00 0.00 176.83 176.33 1wbd h ALA 546 N 0.98 1.62 -0.09 6.23 0.00 -1.30 0.66 119.26 127.35 1wbd h ALA 546 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1wbd h ALA 546 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1wbd h ALA 546 CO -0.02 0.30 -0.30 1.03 0.00 0.00 0.00 179.25 180.26 1wbd h SER 547 N 0.40 0.41 -0.49 0.00 0.87 -1.21 -1.05 113.55 112.47 1wbd h SER 547 Ca 0.10 -0.62 0.03 0.00 -1.23 0.00 0.00 61.79 60.07 1wbd h SER 547 Cb 0.14 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1wbd h SER 547 CO -0.01 0.96 0.27 0.00 -0.53 0.00 0.00 176.83 177.53 1wbd h ALA 548 N 0.47 0.63 -0.31 6.23 0.00 -0.92 0.84 119.26 126.20 1wbd h ALA 548 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wbd h ALA 548 Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1wbd h ALA 548 CO 0.06 -0.05 0.09 -0.07 0.00 0.00 0.00 179.25 179.29 1wbd h LEU 549 N 0.54 0.40 -0.08 0.00 3.38 -0.84 -0.56 115.31 118.15 1wbd h LEU 549 Ca 0.21 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1wbd h LEU 549 Cb 0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1wbd h LEU 549 CO -0.12 0.39 -0.09 0.00 0.09 0.00 0.00 178.44 178.71 1wbd h ALA 550 N 1.67 0.12 -0.93 1.53 0.00 -0.40 -1.93 119.26 119.32 1wbd h ALA 550 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1wbd h ALA 550 Cb 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1wbd h ALA 550 CO -0.01 -0.05 0.62 1.49 0.00 0.00 0.00 179.25 181.30 1wbd h GLU 551 N -0.24 1.22 -0.47 0.00 4.81 -0.39 -1.74 114.58 117.76 1wbd h GLU 551 Ca 0.01 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1wbd h GLU 551 Cb 0.62 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1wbd h GLU 551 CO 0.02 0.80 -0.07 1.25 -0.73 0.00 0.00 179.01 180.28 1wbd h LEU 552 N 1.25 0.88 -1.14 1.64 5.85 -1.09 -0.46 115.31 122.25 1wbd h LEU 552 Ca 0.34 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1wbd h LEU 552 Cb -0.13 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.60 1wbd h LEU 552 CO -0.08 1.02 0.59 -0.78 -0.34 0.00 0.00 178.44 178.85 1wbd h ASP 553 N 0.73 0.92 -0.11 1.25 3.58 -0.94 0.19 116.42 122.04 1wbd h ASP 553 Ca 0.12 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1wbd h ASP 553 Cb 0.61 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1wbd h ASP 553 CO 0.04 0.60 -0.01 0.58 -2.88 0.00 0.00 179.24 177.57 1wbd h VAL 554 N 1.05 1.27 0.01 2.25 2.07 -0.37 -2.37 116.25 120.17 1wbd h VAL 554 Ca 0.38 -0.87 -0.21 0.00 0.82 0.00 0.00 66.70 66.82 1wbd h VAL 554 Cb 0.16 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1wbd h VAL 554 CO -0.14 0.25 -0.93 -0.07 0.02 0.00 0.00 177.57 176.70 1wbd h LEU 555 N -0.10 0.36 -0.59 2.57 3.38 -0.87 -0.67 115.31 119.39 1wbd h LEU 555 Ca 0.03 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1wbd h LEU 555 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1wbd h LEU 555 CO 0.01 1.11 -0.22 0.58 0.09 0.00 0.00 178.44 180.01 1wbd h VAL 556 N 0.15 1.27 -0.28 1.22 2.07 -0.68 -0.52 116.25 119.47 1wbd h VAL 556 Ca -0.06 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1wbd h VAL 556 Cb 1.57 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1wbd h VAL 556 CO 0.15 0.46 0.18 -1.13 0.02 0.00 0.00 177.57 177.25 1wbd h ASN 557 N 0.77 0.34 0.14 0.57 -1.24 -1.24 -1.89 115.58 113.02 1wbd h ASN 557 Ca 0.10 -0.04 -0.11 0.00 0.71 0.00 0.00 56.30 56.96 1wbd h ASN 557 Cb 0.77 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 1wbd h ASN 557 CO 0.06 0.28 -0.38 -0.07 -1.29 0.00 0.00 177.43 176.03 1wbd h LEU 558 N 0.37 0.35 -0.59 0.34 3.38 -0.67 0.31 115.31 118.79 1wbd h LEU 558 Ca 0.10 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1wbd h LEU 558 Cb -0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1wbd h LEU 558 CO -0.02 0.70 0.08 0.00 0.09 0.00 0.00 178.44 179.29 1wbd h ALA 559 N 1.32 0.79 -0.49 1.53 0.00 -1.03 0.14 119.26 121.53 1wbd h ALA 559 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1wbd h ALA 559 Cb 0.80 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1wbd h ALA 559 CO 0.06 0.56 -0.10 1.49 0.00 0.00 0.00 179.25 181.27 1wbd h GLU 560 N 0.89 0.93 -0.22 0.00 4.22 -0.64 -2.28 114.58 117.48 1wbd h GLU 560 Ca 0.18 -0.35 -0.01 0.00 0.08 0.00 0.00 59.36 59.27 1wbd h GLU 560 Cb 0.45 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1wbd h GLU 560 CO 0.02 1.00 0.11 0.00 -2.18 0.00 0.00 179.01 177.96 1wbd h ARG 561 N 0.78 0.31 -0.29 1.92 2.47 -0.82 0.16 114.38 118.91 1wbd h ARG 561 Ca 0.13 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.86 1wbd h ARG 561 Cb 0.65 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.86 1wbd h ARG 561 CO 0.04 0.31 -0.03 0.00 0.56 0.00 0.00 179.97 180.85 1wbd h ALA 562 N 0.99 0.23 -0.15 0.04 0.00 -0.65 -1.26 119.26 118.45 1wbd h ALA 562 Ca 0.08 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1wbd h ALA 562 Cb 0.10 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wbd h ALA 562 CO -0.01 -0.44 -0.22 -0.92 0.00 0.00 0.00 179.25 177.66 1wbd h TYR 563 N 0.04 0.51 -0.64 0.00 3.20 -1.33 -1.82 116.97 116.93 1wbd h TYR 563 Ca 0.14 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1wbd h TYR 563 Cb 0.20 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1wbd h TYR 563 CO -0.25 0.84 0.33 1.15 -1.64 0.00 0.00 178.16 178.60 1wbd h THR 564 N 0.04 1.21 -0.61 1.81 2.02 -0.61 -3.29 112.91 113.47 1wbd h THR 564 Ca 0.02 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1wbd h THR 564 Cb 0.78 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1wbd h THR 564 CO 0.05 0.23 0.00 0.18 0.37 0.00 0.00 175.52 176.36 1wbd n LEU 565 N -4.52 4.59 -3.52 2.58 4.77 -0.48 -4.95 117.00 115.46 1wbd n LEU 565 Ca 0.05 -2.44 -0.18 0.00 -0.03 0.00 0.00 56.01 53.40 1wbd n LEU 565 Cb 0.10 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1wbd n LEU 565 CO 0.38 0.81 0.05 0.59 -1.33 0.00 0.00 177.39 177.89 1wbd n ASN 566 N 1.01 -1.78 -4.96 -1.43 3.02 -1.09 -4.96 115.26 105.07 1wbd n ASN 566 Ca 0.25 -0.69 -0.22 0.00 -0.03 0.00 0.00 54.58 53.89 1wbd n ASN 566 Cb 0.86 -4.78 0.03 0.00 -0.61 0.00 0.00 39.78 35.27 1wbd n ASN 566 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1wbd s TYR 567 N -3.46 2.98 0.10 3.10 1.51 -0.70 -4.35 117.35 116.52 1wbd s TYR 567 Ca 0.00 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 1wbd s TYR 567 Cb -0.00 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 1wbd s TYR 567 CO 0.76 -0.73 -0.02 -0.08 -1.11 0.00 0.00 175.55 174.36 1wbd s THR 568 N -2.72 0.46 -0.27 -0.71 -1.32 -0.33 -4.81 115.64 105.94 1wbd s THR 568 Ca 0.55 -1.90 -0.22 0.00 -1.21 0.00 0.00 61.69 58.91 1wbd s THR 568 Cb -0.10 -1.76 -0.01 0.00 -1.51 0.00 0.00 72.50 69.11 1wbd s THR 568 CO 0.39 -0.78 0.69 0.00 -2.21 0.00 0.00 174.62 172.71 1wbd s PRO 570 N 2.65 3.96 0.29 0.00 0.04 -1.26 -4.71 135.00 135.97 1wbd s PRO 570 Ca 0.29 1.51 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1wbd s PRO 570 Cb -0.15 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1wbd s PRO 570 CO 0.09 -0.32 0.23 0.95 0.04 0.00 0.00 177.00 177.99 1wbd s THR 571 N -1.75 4.05 -0.07 1.26 -4.23 -0.65 -5.02 115.64 109.22 1wbd s THR 571 Ca 0.62 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 1wbd s THR 571 Cb -0.21 -3.30 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1wbd s THR 571 CO 0.26 -0.28 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.58 1wbd s PHE 572 N -2.21 2.76 0.32 3.99 0.08 -1.26 -1.48 117.98 120.18 1wbd s PHE 572 Ca 0.36 -0.27 0.09 0.00 0.12 0.00 0.00 56.93 57.23 1wbd s PHE 572 Cb -0.07 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.63 1wbd s PHE 572 CO 0.26 0.09 0.05 0.96 -0.10 0.00 0.00 175.22 176.48 1wbd s ILE 573 N -0.43 2.95 0.11 0.64 -4.36 -0.83 -4.87 121.20 114.40 1wbd s ILE 573 Ca 0.05 -1.87 0.08 0.00 -0.26 0.00 0.00 60.65 58.66 1wbd s ILE 573 Cb -0.12 -2.86 -0.16 0.00 1.25 0.00 0.00 42.46 40.57 1wbd s ILE 573 CO 0.02 -0.24 1.34 0.44 0.24 0.00 0.00 174.94 176.74 1wbd h ASP 574 N 1.74 0.00 -2.36 4.36 3.32 -1.97 -3.36 116.42 118.14 1wbd h ASP 574 Ca -0.43 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.07 1wbd h ASP 574 Cb 1.25 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 1wbd h ASP 574 CO 0.64 0.90 -0.59 -0.54 -1.72 0.00 0.00 179.24 177.92 1wbd s LYS 575 N -2.85 2.62 0.42 3.56 1.02 -1.26 -4.67 119.74 118.57 1wbd s LYS 575 Ca 0.01 -1.17 -0.27 0.00 0.02 0.00 0.00 55.97 54.56 1wbd s LYS 575 Cb 0.10 -2.40 -0.09 0.00 -0.52 0.00 0.00 37.83 34.92 1wbd s LYS 575 CO 0.80 0.41 1.44 -2.14 -0.92 0.00 0.00 175.35 174.94 1wbd s PRO 576 N -3.56 3.89 0.00 -1.68 0.02 -1.26 -4.17 135.00 128.23 1wbd s PRO 576 Ca 0.31 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1wbd s PRO 576 Cb -0.08 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.65 1wbd s PRO 576 CO 0.22 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1wbd n GLY 577 N 0.54 1.84 2.75 0.52 0.00 -1.26 -4.06 105.19 105.51 1wbd n GLY 577 Ca 0.03 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1wbd n GLY 577 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wbd s ILE 578 N -2.00 0.21 -0.22 -0.61 1.01 -0.02 -0.67 121.20 118.91 1wbd s ILE 578 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1wbd s ILE 578 Cb 0.00 -0.40 0.05 0.00 0.01 0.00 0.00 42.46 42.13 1wbd s ILE 578 CO 0.00 0.23 -0.08 -0.13 0.00 0.00 0.00 174.94 174.95 1wbd s ARG 579 N 1.95 1.91 -0.06 2.79 0.52 -0.44 -0.77 118.95 124.84 1wbd s ARG 579 Ca 0.04 -0.99 0.05 0.00 -0.52 0.00 0.00 55.73 54.31 1wbd s ARG 579 Cb -0.12 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 1wbd s ARG 579 CO -0.04 -0.52 -0.23 0.42 0.02 0.00 0.00 175.30 174.95 1wbd s ILE 580 N 1.34 2.21 -0.12 1.52 1.01 0.35 -1.08 121.20 126.43 1wbd s ILE 580 Ca -0.04 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1wbd s ILE 580 Cb -0.18 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1wbd s ILE 580 CO -0.07 0.57 -0.18 -0.89 0.00 0.00 0.00 174.94 174.37 1wbd s THR 581 N -0.16 2.62 -1.61 2.92 2.01 -0.22 -1.55 115.64 119.65 1wbd s THR 581 Ca -0.03 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 1wbd s THR 581 Cb -0.14 -2.07 0.07 0.00 0.01 0.00 0.00 72.50 70.38 1wbd s THR 581 CO 0.04 0.54 0.35 -0.62 -0.69 0.00 0.00 174.62 174.23 1wbd n GLU 582 N 3.55 -1.80 -1.94 4.92 -0.58 -1.24 -1.14 120.64 122.41 1wbd n GLU 582 Ca -0.19 0.22 -0.36 0.00 -0.42 0.00 0.00 57.16 56.41 1wbd n GLU 582 Cb 0.53 -4.28 0.04 0.00 -0.57 0.00 0.00 31.44 27.16 1wbd n GLU 582 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1wbd s GLY 583 N -3.98 2.79 0.10 0.62 0.00 -0.71 -3.80 107.32 102.35 1wbd s GLY 583 Ca 0.29 1.09 0.03 0.00 0.00 0.00 0.00 44.72 46.13 1wbd s GLY 583 CO 0.97 1.50 -0.08 0.50 0.00 0.00 0.00 173.10 175.99 1wbd s ARG 584 N -3.28 0.84 -0.28 2.90 3.00 0.48 -1.93 118.95 120.68 1wbd s ARG 584 Ca 0.78 -1.25 -0.27 0.00 0.00 0.00 0.00 55.73 54.99 1wbd s ARG 584 Cb -0.33 -0.35 0.01 0.00 0.00 0.00 0.00 34.95 34.27 1wbd s ARG 584 CO 0.36 0.03 0.97 -1.58 0.00 0.00 0.00 175.30 175.08 1wbd s HIS 585 N -3.05 3.24 0.45 -0.53 5.65 -1.26 -4.72 115.29 115.08 1wbd s HIS 585 Ca 0.09 1.20 0.24 0.00 0.25 0.00 0.00 55.06 56.84 1wbd s HIS 585 Cb 0.01 -3.38 1.37 0.00 -1.18 0.00 0.00 32.58 29.41 1wbd s HIS 585 CO -0.02 -0.58 2.07 -1.00 -0.65 0.00 0.00 174.74 174.56 1wbd h PRO 586 N 7.83 0.00 0.00 2.88 0.13 -1.94 -1.65 132.00 139.26 1wbd h PRO 586 Ca -0.21 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.71 1wbd h PRO 586 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1wbd h PRO 586 CO 0.96 0.12 -1.17 0.28 -0.23 0.00 0.00 178.00 177.97 1wbd h VAL 587 N 0.00 0.82 -0.85 1.56 2.07 -1.93 -3.38 116.25 114.54 1wbd h VAL 587 Ca -0.00 -2.05 0.07 0.00 0.82 0.00 0.00 66.70 65.54 1wbd h VAL 587 Cb 0.28 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 1wbd h VAL 587 CO 0.02 0.28 0.55 0.58 0.02 0.00 0.00 177.57 179.02 1wbd h VAL 588 N -1.00 1.03 0.00 2.57 2.07 -1.96 -2.24 116.25 116.71 1wbd h VAL 588 Ca -0.31 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1wbd h VAL 588 Cb 1.22 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1wbd h VAL 588 CO -0.19 0.17 0.00 1.05 0.02 0.00 0.00 177.57 178.62 1wbd h GLU 589 N 0.91 0.00 0.00 1.57 4.11 -1.49 -2.73 114.58 116.95 1wbd h GLU 589 Ca 0.37 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.70 1wbd h GLU 589 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1wbd h GLU 589 CO -0.14 0.00 -2.02 1.04 0.07 0.00 0.00 179.01 177.96 1wbd n GLN 590 N -2.32 0.73 -0.08 1.06 1.13 -0.89 -4.76 117.38 112.26 1wbd n GLN 590 Ca 0.02 -0.13 -0.23 0.00 -1.94 0.00 0.00 57.00 54.73 1wbd n GLN 590 Cb 0.24 -1.47 -0.12 0.00 0.11 0.00 0.00 30.24 29.00 1wbd n GLN 590 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1wbd n VAL 591 N -2.34 1.60 -3.22 5.09 0.31 -0.93 -4.91 118.33 113.93 1wbd n VAL 591 Ca -0.12 -0.29 -0.36 0.00 -0.01 0.00 0.00 64.34 63.56 1wbd n VAL 591 Cb 0.70 -1.89 -0.06 0.00 -0.91 0.00 0.00 33.84 31.68 1wbd n VAL 591 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1wbd s LEU 592 N -7.49 4.34 -0.15 7.52 1.43 -1.05 -4.98 118.68 118.29 1wbd s LEU 592 Ca -0.29 1.25 0.07 0.00 -1.03 0.00 0.00 54.13 54.13 1wbd s LEU 592 Cb 0.08 -3.44 0.43 0.00 0.03 0.00 0.00 46.19 43.28 1wbd s LEU 592 CO 0.63 0.06 1.23 0.59 0.23 0.00 0.00 176.35 179.09 1wbd n ASN 593 N 0.75 3.54 -4.54 2.29 3.02 -1.26 -4.84 115.26 114.21 1wbd n ASN 593 Ca -0.04 -2.57 -0.33 0.00 -0.03 0.00 0.00 54.58 51.61 1wbd n ASN 593 Cb 0.51 -0.62 -0.12 0.00 -0.61 0.00 0.00 39.78 38.95 1wbd n ASN 593 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1wbd s GLU 594 N -1.92 2.60 -0.01 3.52 2.56 -1.26 -5.05 118.70 119.14 1wbd s GLU 594 Ca 0.30 -0.64 -0.38 0.00 0.00 0.00 0.00 54.97 54.25 1wbd s GLU 594 Cb 0.23 -2.48 -0.17 0.00 2.00 0.00 0.00 34.13 33.71 1wbd s GLU 594 CO 0.08 0.64 1.37 -0.35 -0.56 0.00 0.00 175.26 176.44 1wbd n PRO 595 N 2.16 0.93 -2.84 4.30 -0.04 -1.26 -4.90 135.00 133.35 1wbd n PRO 595 Ca -0.17 0.34 -0.39 0.00 -0.04 0.00 0.00 63.50 63.23 1wbd n PRO 595 Cb 0.53 -1.96 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 1wbd n PRO 595 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wbd s PHE 596 N 0.99 3.90 -0.32 0.54 5.36 -1.26 -5.03 117.98 122.15 1wbd s PHE 596 Ca 0.88 1.79 -0.11 0.00 -0.96 0.00 0.00 56.93 58.53 1wbd s PHE 596 Cb -1.04 -2.89 -0.01 0.00 -0.34 0.00 0.00 43.02 38.73 1wbd s PHE 596 CO 0.53 0.43 0.19 0.42 -1.46 0.00 0.00 175.22 175.33 1wbd s ILE 597 N -1.26 4.94 0.45 3.12 -1.09 -1.26 -5.08 121.20 121.02 1wbd s ILE 597 Ca 0.41 -0.29 -0.21 0.00 -2.23 0.00 0.00 60.65 58.33 1wbd s ILE 597 Cb -0.23 -3.51 -0.10 0.00 -1.58 0.00 0.00 42.46 37.03 1wbd s ILE 597 CO 0.28 0.05 1.00 0.00 -1.23 0.00 0.00 174.94 175.04 1wbd s ALA 598 N 1.67 2.97 0.02 9.38 0.00 -1.26 -4.93 121.76 129.62 1wbd s ALA 598 Ca 0.05 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1wbd s ALA 598 Cb -0.17 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1wbd s ALA 598 CO 0.08 -0.10 -0.04 -0.80 0.00 0.00 0.00 175.76 174.90 1wbd s ASN 599 N -2.01 0.39 0.82 0.00 0.01 -0.81 -4.87 114.94 108.47 1wbd s ASN 599 Ca 0.64 -0.48 -0.12 0.00 -0.71 0.00 0.00 52.86 52.19 1wbd s ASN 599 Cb -0.14 0.08 0.09 0.00 0.41 0.00 0.00 41.25 41.68 1wbd s ASN 599 CO 0.18 -0.25 1.15 -2.16 -1.51 0.00 0.00 177.10 174.51 1wbd s PRO 600 N -1.39 1.88 -0.24 -0.60 0.04 -1.26 -1.73 135.00 131.69 1wbd s PRO 600 Ca -0.13 0.23 -0.18 0.00 0.04 0.00 0.00 61.00 60.96 1wbd s PRO 600 Cb -0.09 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1wbd s PRO 600 CO -0.01 -1.68 0.61 -1.17 0.04 0.00 0.00 177.00 174.79 1wbd s LEU 601 N -5.68 -0.50 -0.34 -3.56 2.96 -0.60 -4.95 118.68 106.02 1wbd s LEU 601 Ca 0.62 1.27 -0.01 0.00 -0.22 0.00 0.00 54.13 55.79 1wbd s LEU 601 Cb -0.12 2.08 0.12 0.00 0.50 0.00 0.00 46.19 48.77 1wbd s LEU 601 CO 0.51 -0.22 0.17 0.21 -1.32 0.00 0.00 176.35 175.70 1wbd s ASN 602 N 0.91 3.44 -0.10 3.68 2.47 -1.25 -0.50 114.94 123.59 1wbd s ASN 602 Ca -0.05 -1.85 0.01 0.00 0.42 0.00 0.00 52.86 51.39 1wbd s ASN 602 Cb -0.05 -0.55 -0.02 0.00 -1.45 0.00 0.00 41.25 39.17 1wbd s ASN 602 CO -0.08 -0.37 -0.12 -0.76 -3.72 0.00 0.00 177.10 172.06 1wbd s LEU 603 N 1.41 2.83 0.31 3.21 1.43 0.05 -4.90 118.68 123.01 1wbd s LEU 603 Ca 0.14 -0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1wbd s LEU 603 Cb -0.20 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1wbd s LEU 603 CO -0.16 0.25 0.51 -0.94 0.23 0.00 0.00 176.35 176.24 1wbd s SER 604 N -0.16 0.38 0.49 2.29 1.04 -0.12 -0.84 113.70 116.78 1wbd s SER 604 Ca 0.00 -1.22 0.16 0.00 0.48 0.00 0.00 55.95 55.37 1wbd s SER 604 Cb -0.13 0.65 1.18 0.00 0.10 0.00 0.00 66.02 67.81 1wbd s SER 604 CO 0.03 -1.27 2.07 -0.65 0.98 0.00 0.00 173.24 174.40 1wbd h PRO 605 N 2.17 0.17 0.00 4.02 0.11 -1.98 -2.12 132.00 134.37 1wbd h PRO 605 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1wbd h PRO 605 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wbd h PRO 605 CO 0.38 0.11 0.00 1.04 -0.21 0.00 0.00 178.00 179.32 1wbd n GLN 606 N -4.48 0.26 -3.28 1.05 3.00 -1.26 -4.51 117.38 108.15 1wbd n GLN 606 Ca 0.03 0.23 -0.20 0.00 -0.01 0.00 0.00 57.00 57.04 1wbd n GLN 606 Cb 0.23 -1.81 -0.08 0.00 0.00 0.00 0.00 30.24 28.59 1wbd n GLN 606 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1wbd s ARG 607 N -3.11 0.81 0.00 -1.09 3.52 -0.81 -3.72 118.95 114.55 1wbd s ARG 607 Ca 0.10 -1.44 0.08 0.00 -0.13 0.00 0.00 55.73 54.34 1wbd s ARG 607 Cb 0.12 -0.94 -0.02 0.00 -1.56 0.00 0.00 34.95 32.55 1wbd s ARG 607 CO 0.58 -1.30 0.52 2.89 -0.81 0.00 0.00 175.30 177.18 1wbd n ARG 608 N 3.44 2.75 -3.77 5.12 1.85 -0.28 -0.95 116.66 124.82 1wbd n ARG 608 Ca 0.20 -0.41 -0.15 0.00 -1.00 0.00 0.00 57.85 56.50 1wbd n ARG 608 Cb 0.47 -0.99 -0.16 0.00 -1.05 0.00 0.00 32.46 30.73 1wbd n ARG 608 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1wbd s MET 609 N -1.37 -0.01 -0.17 2.89 0.00 -0.98 -0.49 119.30 119.18 1wbd s MET 609 Ca 0.06 0.21 -0.04 0.00 0.00 0.00 0.00 55.69 55.92 1wbd s MET 609 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 34.83 34.65 1wbd s MET 609 CO 0.25 -0.16 -0.02 -0.51 0.00 0.00 0.00 175.02 174.58 1wbd s LEU 610 N 1.02 3.32 -0.39 4.11 1.43 -0.87 -1.84 118.68 125.46 1wbd s LEU 610 Ca -0.08 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 1wbd s LEU 610 Cb -0.12 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1wbd s LEU 610 CO -0.03 0.15 0.67 -0.63 0.23 0.00 0.00 176.35 176.74 1wbd s ILE 611 N 0.48 4.83 -0.45 -0.59 -1.09 -0.39 -0.69 121.20 123.30 1wbd s ILE 611 Ca -0.02 0.47 -0.13 0.00 -2.23 0.00 0.00 60.65 58.74 1wbd s ILE 611 Cb -0.14 -4.15 0.08 0.00 -1.58 0.00 0.00 42.46 36.67 1wbd s ILE 611 CO 0.02 -0.45 0.34 -0.63 -1.23 0.00 0.00 174.94 172.99 1wbd s ILE 612 N 2.85 4.76 0.56 2.92 1.01 -0.41 -1.64 121.20 131.26 1wbd s ILE 612 Ca 0.25 -1.25 0.08 0.00 0.00 0.00 0.00 60.65 59.73 1wbd s ILE 612 Cb -0.14 -3.89 0.08 0.00 0.01 0.00 0.00 42.46 38.52 1wbd s ILE 612 CO 0.17 -0.57 0.78 0.42 0.00 0.00 0.00 174.94 175.74 1wbd s THR 613 N 1.54 2.31 0.00 2.92 -4.23 -0.80 -1.29 115.64 116.10 1wbd s THR 613 Ca 0.04 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1wbd s THR 613 Cb -0.24 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1wbd s THR 613 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1wbd n GLY 614 N -2.25 1.25 3.70 3.99 0.00 -1.26 -1.94 105.19 108.69 1wbd n GLY 614 Ca 0.14 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 1wbd n GLY 614 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wbd n PRO 615 N 0.22 2.22 0.00 1.61 -0.04 -1.26 -4.89 135.00 132.86 1wbd n PRO 615 Ca 0.00 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1wbd n PRO 615 Cb 0.00 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1wbd n PRO 615 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wbd n ASN 616 N 1.21 0.00 -1.86 3.54 2.85 -1.26 -4.62 115.26 115.12 1wbd n ASN 616 Ca 0.06 0.01 -0.17 0.00 -0.11 0.00 0.00 54.58 54.38 1wbd n ASN 616 Cb 0.35 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.33 1wbd n ASN 616 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1wbd n MET 617 N -0.48 -1.60 0.00 1.20 2.81 -1.26 -1.62 117.12 116.18 1wbd n MET 617 Ca 0.00 0.91 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 1wbd n MET 617 Cb 0.00 -5.35 0.00 0.00 -0.71 0.00 0.00 33.22 27.16 1wbd n MET 617 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wbd n GLY 618 N -0.55 3.09 0.26 3.03 0.00 -1.26 -4.95 105.19 104.81 1wbd n GLY 618 Ca -0.18 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.89 1wbd n GLY 618 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wbd h GLY 619 N 0.00 1.01 0.90 -0.02 0.00 -1.64 0.10 103.07 103.43 1wbd h GLY 619 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1wbd h GLY 619 CO 0.00 0.16 -0.20 0.50 0.00 0.00 0.00 176.54 177.00 1wbd h LYS 620 N 0.71 0.60 -0.82 4.80 1.57 -1.82 -2.43 116.57 119.19 1wbd h LYS 620 Ca 0.31 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1wbd h LYS 620 Cb 0.19 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1wbd h LYS 620 CO -0.18 0.88 0.36 0.77 -0.57 0.00 0.00 179.45 180.71 1wbd h SER 621 N 0.33 1.09 -0.22 0.86 0.02 -1.81 -1.21 113.55 112.62 1wbd h SER 621 Ca 0.05 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 1wbd h SER 621 Cb 0.74 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1wbd h SER 621 CO 0.05 0.95 -0.23 0.74 -1.14 0.00 0.00 176.83 177.20 1wbd h THR 622 N 1.17 1.32 -0.71 -2.27 2.02 -0.85 -0.54 112.91 113.06 1wbd h THR 622 Ca 0.28 -1.40 0.05 0.00 0.77 0.00 0.00 66.41 66.11 1wbd h THR 622 Cb 0.17 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1wbd h THR 622 CO -0.03 0.43 0.47 0.22 0.37 0.00 0.00 175.52 176.98 1wbd h TYR 623 N 0.22 0.78 0.13 3.16 3.20 -1.21 -0.24 116.97 123.02 1wbd h TYR 623 Ca 0.03 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.70 1wbd h TYR 623 Cb 0.78 -0.26 0.02 0.00 1.54 0.00 0.00 36.73 38.82 1wbd h TYR 623 CO 0.08 0.43 -0.94 0.52 -1.64 0.00 0.00 178.16 176.61 1wbd h MET 624 N 0.79 0.40 0.00 1.82 2.86 -0.99 -3.11 114.93 116.69 1wbd h MET 624 Ca 0.30 -0.61 -0.09 0.00 -2.06 0.00 0.00 59.70 57.24 1wbd h MET 624 Cb 0.18 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1wbd h MET 624 CO -0.09 1.27 -0.43 0.00 1.06 0.00 0.00 176.91 178.72 1wbd h ARG 625 N -0.16 0.00 -0.01 1.72 3.08 -0.89 -2.57 114.38 115.55 1wbd h ARG 625 Ca -0.15 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.74 1wbd h ARG 625 Cb 1.70 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.74 1wbd h ARG 625 CO 0.18 0.43 -0.72 -0.56 -1.07 0.00 0.00 179.97 178.22 1wbd h GLN 626 N 0.00 0.05 -0.11 0.04 3.07 -1.10 -0.41 115.11 116.65 1wbd h GLN 626 Ca -0.00 -0.05 0.02 0.00 0.09 0.00 0.00 58.65 58.70 1wbd h GLN 626 Cb 0.88 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.44 1wbd h GLN 626 CO 0.06 0.75 0.01 1.15 0.09 0.00 0.00 178.83 180.88 1wbd h THR 627 N 0.03 0.94 -0.50 1.86 2.02 -1.40 -0.07 112.91 115.80 1wbd h THR 627 Ca -0.01 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1wbd h THR 627 Cb 1.27 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1wbd h THR 627 CO 0.10 0.01 -0.05 0.00 0.37 0.00 0.00 175.52 175.95 1wbd h ALA 628 N 1.09 0.97 -0.06 6.16 0.00 -1.17 -1.66 119.26 124.59 1wbd h ALA 628 Ca 0.05 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1wbd h ALA 628 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wbd h ALA 628 CO -0.08 0.62 -0.58 -0.07 0.00 0.00 0.00 179.25 179.15 1wbd h LEU 629 N 0.80 0.20 0.12 0.00 3.38 -0.82 -0.21 115.31 118.78 1wbd h LEU 629 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1wbd h LEU 629 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1wbd h LEU 629 CO 0.03 0.73 -0.06 0.40 0.09 0.00 0.00 178.44 179.63 1wbd h ILE 630 N 0.13 1.05 -0.49 1.22 2.04 -0.79 -2.16 117.51 118.52 1wbd h ILE 630 Ca -0.00 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.16 1wbd h ILE 630 Cb 1.05 1.54 -0.08 0.00 -0.74 0.00 0.00 36.82 38.59 1wbd h ILE 630 CO 0.09 0.19 -0.03 0.00 0.00 0.00 0.00 178.15 178.39 1wbd h ALA 631 N 0.27 0.43 -0.97 1.87 0.00 -1.25 0.12 119.26 119.73 1wbd h ALA 631 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1wbd h ALA 631 Cb 0.43 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1wbd h ALA 631 CO 0.03 -0.40 0.65 1.25 0.00 0.00 0.00 179.25 180.77 1wbd h LEU 632 N 0.09 1.12 -0.06 0.00 5.85 -1.04 -0.79 115.31 120.47 1wbd h LEU 632 Ca 0.24 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1wbd h LEU 632 Cb 0.37 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1wbd h LEU 632 CO -0.43 0.81 -0.22 0.24 -0.34 0.00 0.00 178.44 178.50 1wbd h MET 633 N 1.32 0.25 -0.88 1.25 2.86 -0.69 -1.17 114.93 117.88 1wbd h MET 633 Ca 0.36 -0.19 0.23 0.00 -2.06 0.00 0.00 59.70 58.03 1wbd h MET 633 Cb -0.15 0.04 -0.14 0.00 0.06 0.00 0.00 31.60 31.41 1wbd h MET 633 CO -0.08 0.83 0.28 0.00 1.06 0.00 0.00 176.91 179.00 1wbd h ALA 634 N 0.42 1.32 -0.28 6.32 0.00 -0.59 -0.45 119.26 126.01 1wbd h ALA 634 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wbd h ALA 634 Cb 0.86 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wbd h ALA 634 CO 0.05 -0.44 0.00 0.66 0.00 0.00 0.00 179.25 179.52 1wbd n TYR 635 N -5.17 0.44 0.56 0.00 4.01 -0.32 -2.18 117.16 114.50 1wbd n TYR 635 Ca 0.21 -0.20 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 1wbd n TYR 635 Cb 0.67 -0.03 -0.14 0.00 -0.31 0.00 0.00 39.34 39.53 1wbd n TYR 635 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 1wbd n ILE 636 N 0.33 0.00 -0.18 -0.72 3.06 -0.20 -1.27 119.36 120.38 1wbd n ILE 636 Ca 0.10 -0.21 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 1wbd n ILE 636 Cb 0.29 0.59 0.00 0.00 0.54 0.00 0.00 39.64 41.06 1wbd n ILE 636 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1wbd n GLY 637 N 1.40 0.82 3.90 4.50 0.00 -0.93 -4.97 105.19 109.92 1wbd n GLY 637 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1wbd n GLY 637 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wbd s SER 638 N -2.28 5.75 0.82 1.61 0.15 -1.07 -3.47 113.70 115.23 1wbd s SER 638 Ca 0.00 0.91 -0.12 0.00 0.70 0.00 0.00 55.95 57.45 1wbd s SER 638 Cb 0.00 -1.93 0.09 0.00 -1.71 0.00 0.00 66.02 62.46 1wbd s SER 638 CO 0.00 -1.01 1.10 -0.31 1.20 0.00 0.00 173.24 174.22 1wbd s TYR 639 N -3.04 2.71 0.03 3.44 1.51 -1.26 -4.35 117.35 116.38 1wbd s TYR 639 Ca 0.54 1.15 0.01 0.00 -1.01 0.00 0.00 57.07 57.76 1wbd s TYR 639 Cb -0.11 -3.15 -0.02 0.00 -0.11 0.00 0.00 41.96 38.57 1wbd s TYR 639 CO 0.47 -1.94 -0.06 0.14 -1.11 0.00 0.00 175.55 173.06 1wbd s VAL 640 N -3.12 0.37 -1.17 0.71 -7.23 -0.64 -4.81 120.40 104.51 1wbd s VAL 640 Ca 0.61 -0.96 -0.23 0.00 -1.81 0.00 0.00 61.98 59.60 1wbd s VAL 640 Cb -0.15 -0.46 -0.09 0.00 0.56 0.00 0.00 36.38 36.24 1wbd s VAL 640 CO 0.55 -0.40 1.94 -2.16 -0.31 0.00 0.00 175.10 174.72 1wbd s PRO 641 N -1.45 2.48 0.08 4.82 0.04 -1.26 -1.19 135.00 138.53 1wbd s PRO 641 Ca -0.11 -1.13 -0.26 0.00 0.04 0.00 0.00 61.00 59.53 1wbd s PRO 641 Cb -0.09 -5.23 0.08 0.00 0.04 0.00 0.00 34.50 29.29 1wbd s PRO 641 CO -0.00 -3.98 0.83 0.00 0.04 0.00 0.00 177.00 173.88 1wbd s ALA 642 N 11.05 -1.70 0.04 8.56 0.00 -1.26 -0.39 121.76 138.07 1wbd s ALA 642 Ca 0.69 0.63 0.10 0.00 0.00 0.00 0.00 51.96 53.37 1wbd s ALA 642 Cb -0.01 0.60 -0.09 0.00 0.00 0.00 0.00 23.12 23.62 1wbd s ALA 642 CO 0.13 -0.80 1.35 1.96 0.00 0.00 0.00 175.76 178.40 1wbd h GLN 643 N 2.00 0.00 -1.87 0.00 1.08 -1.23 -3.35 115.11 111.74 1wbd h GLN 643 Ca -0.25 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1wbd h GLN 643 Cb 1.26 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.46 1wbd h GLN 643 CO 0.31 0.82 0.19 0.21 -0.95 0.00 0.00 178.83 179.41 1wbd s LYS 644 N -2.84 0.69 -0.04 1.46 2.20 -1.16 -4.94 119.74 115.11 1wbd s LYS 644 Ca 0.02 0.95 -0.01 0.00 -0.36 0.00 0.00 55.97 56.56 1wbd s LYS 644 Cb 0.09 0.27 0.03 0.00 -1.51 0.00 0.00 37.83 36.72 1wbd s LYS 644 CO 0.79 -0.10 0.04 0.08 -0.36 0.00 0.00 175.35 175.80 1wbd s VAL 645 N 0.77 0.02 -0.08 4.02 1.01 -1.26 -1.06 120.40 123.83 1wbd s VAL 645 Ca -0.03 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1wbd s VAL 645 Cb -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1wbd s VAL 645 CO -0.08 0.18 -0.05 -1.61 0.00 0.00 0.00 175.10 173.54 1wbd s GLU 646 N 1.82 2.86 -0.18 2.72 2.02 -0.24 -1.63 118.70 126.06 1wbd s GLU 646 Ca 0.01 -0.52 -0.13 0.00 0.02 0.00 0.00 54.97 54.35 1wbd s GLU 646 Cb -0.12 -2.65 0.06 0.00 0.10 0.00 0.00 34.13 31.51 1wbd s GLU 646 CO -0.03 0.64 0.46 -1.50 0.02 0.00 0.00 175.26 174.84 1wbd s ILE 647 N -0.73 -0.01 0.36 -1.63 2.07 -0.55 -1.33 121.20 119.38 1wbd s ILE 647 Ca 0.11 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.37 1wbd s ILE 647 Cb -0.11 -0.66 0.08 0.00 0.13 0.00 0.00 42.46 41.89 1wbd s ILE 647 CO 0.02 0.02 0.49 0.61 -1.91 0.00 0.00 174.94 174.17 1wbd n GLY 648 N 3.73 -0.03 3.78 1.50 0.00 0.16 -1.97 105.19 112.35 1wbd n GLY 648 Ca -0.19 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 1wbd n GLY 648 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wbd s PRO 649 N -3.84 4.06 -0.06 1.61 0.04 -1.26 -4.73 135.00 130.83 1wbd s PRO 649 Ca 0.31 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.99 1wbd s PRO 649 Cb -0.01 -2.55 0.03 0.00 0.04 0.00 0.00 34.50 32.00 1wbd s PRO 649 CO 0.21 -0.26 -0.01 0.42 0.04 0.00 0.00 177.00 177.39 1wbd s ILE 650 N -1.57 0.40 -0.05 0.56 1.01 -1.26 -4.71 121.20 115.57 1wbd s ILE 650 Ca 0.59 0.05 0.13 0.00 0.00 0.00 0.00 60.65 61.41 1wbd s ILE 650 Cb -0.25 -0.51 -0.22 0.00 0.01 0.00 0.00 42.46 41.49 1wbd s ILE 650 CO 0.32 0.23 0.66 -0.90 0.00 0.00 0.00 174.94 175.25 1wbd n ASP 651 N 4.69 0.85 -3.66 3.58 5.75 -0.94 -4.65 116.55 122.16 1wbd n ASP 651 Ca -0.15 0.40 -0.15 0.00 -0.01 0.00 0.00 54.79 54.88 1wbd n ASP 651 Cb 0.50 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.50 1wbd n ASP 651 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1wbd s ARG 652 N -2.62 0.80 -0.09 0.11 0.52 -1.26 -1.44 118.95 114.96 1wbd s ARG 652 Ca -0.05 0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.34 1wbd s ARG 652 Cb 0.08 0.37 0.01 0.00 0.52 0.00 0.00 34.95 35.93 1wbd s ARG 652 CO 0.82 -0.22 -0.20 0.42 0.02 0.00 0.00 175.30 176.15 1wbd s ILE 653 N -0.97 1.74 -0.18 1.52 1.01 -0.88 -1.99 121.20 121.44 1wbd s ILE 653 Ca -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1wbd s ILE 653 Cb -0.03 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1wbd s ILE 653 CO 0.06 0.49 -0.13 -0.36 0.00 0.00 0.00 174.94 175.00 1wbd s PHE 654 N 0.54 2.39 -0.20 3.97 0.08 -0.45 -4.58 117.98 119.74 1wbd s PHE 654 Ca -0.15 -1.49 -0.01 0.00 0.12 0.00 0.00 56.93 55.39 1wbd s PHE 654 Cb -0.17 -1.66 0.05 0.00 -0.57 0.00 0.00 43.02 40.67 1wbd s PHE 654 CO 0.05 -0.73 -0.03 0.95 -0.10 0.00 0.00 175.22 175.37 1wbd s THR 655 N 1.41 1.09 -1.01 0.64 -4.23 -1.26 -0.85 115.64 111.42 1wbd s THR 655 Ca 0.01 -0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1wbd s THR 655 Cb -0.15 -1.40 0.31 0.00 1.34 0.00 0.00 72.50 72.61 1wbd s THR 655 CO -0.09 -0.06 1.52 -1.14 -0.54 0.00 0.00 174.62 174.31 1wbd n ARG 656 N 4.85 4.61 -5.01 3.99 3.00 -0.41 -4.35 116.66 123.35 1wbd n ARG 656 Ca -0.11 -4.62 -0.32 0.00 -0.00 0.00 0.00 57.85 52.80 1wbd n ARG 656 Cb 0.46 -2.47 -0.16 0.00 0.00 0.00 0.00 32.46 30.30 1wbd n ARG 656 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wbd s VAL 657 N -3.38 2.44 0.00 5.15 1.01 -1.26 -2.49 120.40 121.87 1wbd s VAL 657 Ca 0.35 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1wbd s VAL 657 Cb 0.11 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1wbd s VAL 657 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1wbd n GLY 658 N 3.56 0.54 0.26 4.51 0.00 -1.26 -4.96 105.19 107.84 1wbd n GLY 658 Ca -0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 1wbd n GLY 658 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wbd n THR 669 N -0.55 0.00 -0.32 2.61 -2.24 -1.26 -5.09 114.28 107.43 1wbd n THR 669 Ca 0.00 -0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 1wbd n THR 669 Cb 0.23 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 68.73 1wbd n THR 669 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1wbd h PHE 670 N -0.06 0.87 -0.70 4.78 3.57 -1.87 -2.83 116.94 120.71 1wbd h PHE 670 Ca -0.04 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1wbd h PHE 670 Cb 0.11 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1wbd h PHE 670 CO 0.02 0.17 0.28 0.52 -2.23 0.00 0.00 178.31 177.07 1wbd h MET 671 N 0.64 1.04 -0.01 1.11 2.86 -1.97 0.10 114.93 118.71 1wbd h MET 671 Ca 0.52 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.84 1wbd h MET 671 Cb 0.82 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1wbd h MET 671 CO -0.40 0.86 -0.65 0.28 1.06 0.00 0.00 176.91 178.06 1wbd h VAL 672 N 1.00 1.46 -0.32 -2.22 2.07 -1.98 -0.24 116.25 116.01 1wbd h VAL 672 Ca 0.23 -2.21 -0.17 0.00 0.82 0.00 0.00 66.70 65.37 1wbd h VAL 672 Cb 0.20 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1wbd h VAL 672 CO -0.02 0.63 -0.48 -0.08 0.02 0.00 0.00 177.57 177.65 1wbd h GLU 673 N 0.02 0.87 -0.02 1.57 4.81 -1.07 -2.46 114.58 118.30 1wbd h GLU 673 Ca -0.01 -0.51 -0.16 0.00 -0.13 0.00 0.00 59.36 58.55 1wbd h GLU 673 Cb 1.15 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1wbd h GLU 673 CO 0.09 1.15 -0.72 0.52 -0.73 0.00 0.00 179.01 179.31 1wbd h MET 674 N 0.69 0.13 -0.26 1.92 2.86 -0.69 -1.81 114.93 117.78 1wbd h MET 674 Ca 0.03 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 1wbd h MET 674 Cb 1.07 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1wbd h MET 674 CO 0.11 0.80 -0.39 1.15 1.06 0.00 0.00 176.91 179.63 1wbd h THR 675 N 0.09 1.30 -0.37 2.22 2.02 -1.08 0.92 112.91 118.02 1wbd h THR 675 Ca -0.02 -1.59 -0.08 0.00 0.77 0.00 0.00 66.41 65.50 1wbd h THR 675 Cb 1.28 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 1wbd h THR 675 CO 0.10 0.51 -0.10 -0.33 0.37 0.00 0.00 175.52 176.08 1wbd h GLU 676 N 0.46 0.63 -0.43 6.66 5.08 -1.40 -2.32 114.58 123.25 1wbd h GLU 676 Ca 0.02 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1wbd h GLU 676 Cb 0.99 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1wbd h GLU 676 CO 0.09 0.72 -0.07 1.15 -1.00 0.00 0.00 179.01 179.90 1wbd h THR 677 N 0.58 1.27 -0.75 1.13 2.02 -1.12 -2.80 112.91 113.24 1wbd h THR 677 Ca 0.11 -1.16 0.12 0.00 0.77 0.00 0.00 66.41 66.24 1wbd h THR 677 Cb 0.51 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 1wbd h THR 677 CO 0.03 0.40 0.35 0.00 0.37 0.00 0.00 175.52 176.67 1wbd h ALA 678 N 0.87 1.06 -0.66 6.16 0.00 -0.63 -1.83 119.26 124.24 1wbd h ALA 678 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1wbd h ALA 678 Cb 0.60 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1wbd h ALA 678 CO 0.04 -0.11 0.36 -0.97 0.00 0.00 0.00 179.25 178.57 1wbd h ASN 679 N 0.55 0.82 -0.21 0.00 -1.24 -1.22 -1.61 115.58 112.67 1wbd h ASN 679 Ca 0.39 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.31 1wbd h ASN 679 Cb 0.51 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 1wbd h ASN 679 CO -0.33 0.67 0.12 0.40 -1.29 0.00 0.00 177.43 177.00 1wbd h ILE 680 N 0.90 1.09 0.00 2.57 2.04 -1.14 -2.46 117.51 120.51 1wbd h ILE 680 Ca 0.23 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 1wbd h ILE 680 Cb 0.03 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1wbd h ILE 680 CO -0.04 0.09 -0.47 -0.07 0.00 0.00 0.00 178.15 177.66 1wbd h LEU 681 N 0.25 0.00 -0.03 1.44 3.38 -1.07 0.07 115.31 119.35 1wbd h LEU 681 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1wbd h LEU 681 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wbd h LEU 681 CO -0.01 0.47 -0.60 0.45 0.09 0.00 0.00 178.44 178.84 1wbd h HIS 682 N 0.00 0.00 0.00 1.13 3.86 -1.26 -3.40 115.15 115.47 1wbd h HIS 682 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wbd h HIS 682 Cb 0.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1wbd h HIS 682 CO 0.00 0.60 0.00 0.09 0.86 0.00 0.00 177.93 179.48 1wbd n ASN 683 N -3.26 0.04 -4.81 2.45 3.02 -0.93 -5.05 115.26 106.72 1wbd n ASN 683 Ca 0.02 -0.48 -0.34 0.00 -0.03 0.00 0.00 54.58 53.74 1wbd n ASN 683 Cb 0.77 0.88 -0.07 0.00 -0.61 0.00 0.00 39.78 40.75 1wbd n ASN 683 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wbd s ALA 684 N -0.88 3.16 0.39 5.41 0.00 -0.03 -5.05 121.76 124.76 1wbd s ALA 684 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1wbd s ALA 684 Cb 0.00 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 1wbd s ALA 684 CO 0.00 0.18 0.03 0.25 0.00 0.00 0.00 175.76 176.22 1wbd n THR 685 N -0.10 0.00 0.78 0.00 -2.24 -1.26 -4.95 114.28 106.51 1wbd n THR 685 Ca 0.04 -1.91 0.10 0.00 -2.27 0.00 0.00 64.05 60.01 1wbd n THR 685 Cb 0.52 0.45 0.45 0.00 -2.10 0.00 0.00 70.33 69.66 1wbd n THR 685 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wbd n GLU 686 N -0.94 0.10 -0.26 -0.78 0.28 -1.16 -1.24 120.64 116.64 1wbd n GLU 686 Ca -0.14 0.14 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1wbd n GLU 686 Cb 0.51 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 32.13 1wbd n GLU 686 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1wbd n TYR 687 N -1.43 0.69 -2.82 -1.84 4.01 -1.26 -4.55 117.16 109.96 1wbd n TYR 687 Ca 0.06 -0.37 -0.31 0.00 -0.16 0.00 0.00 57.90 57.12 1wbd n TYR 687 Cb 0.21 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.20 1wbd n TYR 687 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1wbd s SER 688 N -1.22 6.59 -0.16 7.72 0.01 -0.37 -2.22 113.70 124.06 1wbd s SER 688 Ca 0.41 1.25 -0.02 0.00 1.31 0.00 0.00 55.95 58.90 1wbd s SER 688 Cb 0.23 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 1wbd s SER 688 CO 0.31 -0.40 -0.08 -0.22 0.41 0.00 0.00 173.24 173.26 1wbd s LEU 689 N -3.72 2.94 -0.12 2.44 2.96 -0.84 -1.77 118.68 120.57 1wbd s LEU 689 Ca 0.53 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1wbd s LEU 689 Cb -0.10 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.92 1wbd s LEU 689 CO 0.28 0.13 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.68 1wbd s VAL 690 N 0.56 1.07 -0.18 1.68 1.01 -0.09 -1.34 120.40 123.11 1wbd s VAL 690 Ca -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1wbd s VAL 690 Cb -0.15 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 1wbd s VAL 690 CO 0.03 0.38 -0.11 -0.76 0.00 0.00 0.00 175.10 174.63 1wbd s LEU 691 N 1.69 2.63 -0.04 3.92 1.43 -0.03 -1.21 118.68 127.06 1wbd s LEU 691 Ca 0.05 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1wbd s LEU 691 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1wbd s LEU 691 CO -0.08 0.05 -0.09 -0.04 0.23 0.00 0.00 176.35 176.42 1wbd s MET 692 N 1.04 1.16 -0.67 1.70 -1.94 -0.43 -1.28 119.30 118.88 1wbd s MET 692 Ca -0.01 -0.29 -0.05 0.00 -1.71 0.00 0.00 55.69 53.63 1wbd s MET 692 Cb -0.15 -1.05 0.17 0.00 2.01 0.00 0.00 34.83 35.82 1wbd s MET 692 CO -0.02 0.04 0.51 0.34 -0.01 0.00 0.00 175.02 175.88 1wbd s ASP 693 N 0.52 5.58 -1.20 3.03 2.15 -1.04 -0.10 116.67 125.61 1wbd s ASP 693 Ca -0.09 -2.80 -0.09 0.00 0.43 0.00 0.00 52.55 50.00 1wbd s ASP 693 Cb -0.12 -1.94 -0.02 0.00 -0.30 0.00 0.00 42.92 40.54 1wbd s ASP 693 CO 0.01 -0.42 0.76 -0.62 -0.17 0.00 0.00 175.17 174.74 1wbd n GLU 694 N 3.62 -2.95 -2.03 4.34 1.02 0.20 -4.79 120.64 120.05 1wbd n GLU 694 Ca 0.09 0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 57.49 1wbd n GLU 694 Cb 0.40 -4.87 0.02 0.00 -0.02 0.00 0.00 31.44 26.96 1wbd n GLU 694 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1wbd s ILE 695 N -3.56 3.57 0.00 -3.67 -4.36 -1.26 -3.64 121.20 108.28 1wbd s ILE 695 Ca 0.26 0.78 0.00 0.00 -0.26 0.00 0.00 60.65 61.44 1wbd s ILE 695 Cb -0.07 -3.30 0.00 0.00 1.25 0.00 0.00 42.46 40.34 1wbd s ILE 695 CO 0.82 -0.40 0.00 0.61 0.24 0.00 0.00 174.94 176.21 1wbd n GLY 696 N -0.65 1.87 3.77 6.27 0.00 -1.26 -4.64 105.19 110.55 1wbd n GLY 696 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1wbd n GLY 696 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wbd s ARG 697 N -0.04 4.00 0.00 1.61 0.52 -1.24 -3.23 118.95 120.57 1wbd s ARG 697 Ca 0.00 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 1wbd s ARG 697 Cb 0.00 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.67 1wbd s ARG 697 CO 0.00 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.24 1wbd n GLY 698 N 0.66 0.59 2.00 -3.53 0.00 -1.26 -4.80 105.19 98.84 1wbd n GLY 698 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1wbd n GLY 698 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wbd n THR 699 N -2.00 0.00 -0.87 2.61 5.66 -1.20 -4.79 114.28 113.69 1wbd n THR 699 Ca 0.00 -1.48 -0.31 0.00 -3.05 0.00 0.00 64.05 59.21 1wbd n THR 699 Cb 0.00 0.66 0.15 0.00 -1.55 0.00 0.00 70.33 69.58 1wbd n THR 699 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wbd s SER 700 N -2.47 3.32 0.13 1.09 1.04 -1.26 -4.74 113.70 110.81 1wbd s SER 700 Ca 0.20 2.14 -0.20 0.00 0.48 0.00 0.00 55.95 58.58 1wbd s SER 700 Cb 0.01 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1wbd s SER 700 CO 0.14 -2.84 1.72 0.74 0.98 0.00 0.00 173.24 173.98 1wbd h THR 701 N -1.59 0.85 0.22 2.02 2.02 -1.98 -0.36 112.91 114.09 1wbd h THR 701 Ca -0.44 -0.02 -0.31 0.00 0.77 0.00 0.00 66.41 66.42 1wbd h THR 701 Cb 1.26 0.78 0.04 0.00 -1.74 0.00 0.00 68.15 68.49 1wbd h THR 701 CO 0.44 0.01 -1.33 1.88 0.37 0.00 0.00 175.52 176.89 1wbd h TYR 702 N 0.06 0.91 -0.05 3.16 0.05 -1.98 -0.30 116.97 118.82 1wbd h TYR 702 Ca 0.10 -0.65 0.03 0.00 0.05 0.00 0.00 58.73 58.26 1wbd h TYR 702 Cb 0.13 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.78 1wbd h TYR 702 CO -0.18 1.51 -0.18 -0.44 -1.05 0.00 0.00 178.16 177.81 1wbd h ASP 703 N 0.06 -0.55 -0.47 3.88 3.32 -1.93 -0.38 116.42 120.34 1wbd h ASP 703 Ca -0.23 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 1wbd h ASP 703 Cb 2.04 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 41.82 1wbd h ASP 703 CO 0.25 -0.24 -0.07 1.23 -1.72 0.00 0.00 179.24 178.69 1wbd h GLY 704 N -0.27 1.01 1.46 2.75 0.00 -1.05 -1.46 103.07 105.51 1wbd h GLY 704 Ca 0.07 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 1wbd h GLY 704 CO -0.21 0.70 0.03 -2.00 0.00 0.00 0.00 176.54 175.06 1wbd h LEU 705 N 0.84 0.63 -0.51 3.11 5.85 -1.01 -2.00 115.31 122.22 1wbd h LEU 705 Ca 0.14 -0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 1wbd h LEU 705 Cb 0.60 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1wbd h LEU 705 CO 0.04 0.68 -0.48 0.28 -0.34 0.00 0.00 178.44 178.61 1wbd h SER 706 N 0.64 0.72 0.02 1.25 0.02 -0.57 -1.38 113.55 114.25 1wbd h SER 706 Ca 0.13 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1wbd h SER 706 Cb 0.35 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1wbd h SER 706 CO 0.01 1.08 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.70 1wbd h LEU 707 N 0.52 -0.02 -0.26 5.07 3.38 -1.23 -1.32 115.31 121.46 1wbd h LEU 707 Ca 0.03 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1wbd h LEU 707 Cb 1.03 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1wbd h LEU 707 CO 0.10 0.37 -0.06 0.00 0.09 0.00 0.00 178.44 178.94 1wbd h ALA 708 N 0.55 0.17 -0.31 1.53 0.00 -1.35 0.69 119.26 120.53 1wbd h ALA 708 Ca -0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1wbd h ALA 708 Cb 0.40 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1wbd h ALA 708 CO 0.00 -0.47 0.08 2.35 0.00 0.00 0.00 179.25 181.21 1wbd h TRP 709 N 0.00 0.13 -0.01 0.00 2.91 -1.24 -1.51 115.95 116.24 1wbd h TRP 709 Ca 0.12 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.03 1wbd h TRP 709 Cb 0.19 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 1wbd h TRP 709 CO -0.26 0.04 -0.62 0.00 -1.03 0.00 0.00 178.44 176.58 1wbd h ALA 710 N 1.22 0.96 0.24 2.65 0.00 -0.79 -1.68 119.26 121.87 1wbd h ALA 710 Ca 0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1wbd h ALA 710 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wbd h ALA 710 CO -0.18 0.76 -0.12 0.00 0.00 0.00 0.00 179.25 179.72 1wbd h ALA 712 N -0.08 -0.41 -0.68 0.00 0.00 -1.19 0.46 119.26 117.35 1wbd h ALA 712 Ca -0.03 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1wbd h ALA 712 Cb 0.48 0.78 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1wbd h ALA 712 CO 0.05 -0.84 -0.22 0.93 0.00 0.00 0.00 179.25 179.18 1wbd h GLU 713 N -0.37 -0.04 -0.26 0.00 5.08 -1.37 0.20 114.58 117.82 1wbd h GLU 713 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1wbd h GLU 713 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1wbd h GLU 713 CO -0.49 -0.03 0.10 -0.97 -1.00 0.00 0.00 179.01 176.63 1wbd h ASN 714 N -0.04 0.36 -0.54 1.42 -1.24 -0.41 0.55 115.58 115.68 1wbd h ASN 714 Ca 0.31 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 1wbd h ASN 714 Cb 0.53 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.45 1wbd h ASN 714 CO -0.72 0.43 0.30 -0.07 -1.29 0.00 0.00 177.43 176.08 1wbd h LEU 715 N 0.27 0.70 0.16 0.34 3.38 0.37 -0.57 115.31 119.97 1wbd h LEU 715 Ca 0.09 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 57.69 1wbd h LEU 715 Cb 0.18 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1wbd h LEU 715 CO -0.01 0.58 -1.56 0.00 0.09 0.00 0.00 178.44 177.54 1wbd h ALA 716 N 1.53 0.14 0.04 1.53 0.00 -0.68 0.12 119.26 121.95 1wbd h ALA 716 Ca 0.20 -1.09 -0.33 0.00 0.00 0.00 0.00 54.91 53.69 1wbd h ALA 716 Cb 0.05 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1wbd h ALA 716 CO -0.03 0.90 -1.95 0.09 0.00 0.00 0.00 179.25 178.26 1wbd n ASN 717 N -3.76 1.30 -0.04 0.00 5.03 0.19 -4.21 115.26 113.76 1wbd n ASN 717 Ca -0.24 0.25 -0.05 0.00 0.87 0.00 0.00 54.58 55.41 1wbd n ASN 717 Cb 0.99 -0.25 -0.02 0.00 -1.02 0.00 0.00 39.78 39.49 1wbd n ASN 717 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1wbd n LYS 718 N -3.18 0.29 -0.03 3.52 0.00 -0.72 -4.69 118.16 113.36 1wbd n LYS 718 Ca -0.26 0.12 -0.13 0.00 0.00 0.00 0.00 58.31 58.03 1wbd n LYS 718 Cb 1.06 -0.98 -0.02 0.00 0.00 0.00 0.00 35.03 35.09 1wbd n LYS 718 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1wbd h ILE 719 N -0.55 1.30 -2.19 3.15 2.04 -1.28 -3.47 117.51 116.50 1wbd h ILE 719 Ca 0.00 -1.86 -0.39 0.00 1.00 0.00 0.00 64.86 63.61 1wbd h ILE 719 Cb 0.55 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 1wbd h ILE 719 CO 0.00 0.59 -0.45 0.29 0.00 0.00 0.00 178.15 178.58 1wbd n LYS 720 N -3.95 -1.48 -0.61 2.37 5.02 0.40 -2.99 118.16 116.91 1wbd n LYS 720 Ca -0.05 1.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.94 1wbd n LYS 720 Cb 0.66 -5.50 0.20 0.00 -0.02 0.00 0.00 35.03 30.37 1wbd n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wbd n ALA 721 N -0.94 -1.94 -2.68 7.82 0.00 -1.10 -4.53 120.51 117.14 1wbd n ALA 721 Ca -0.22 -0.83 -0.41 0.00 0.00 0.00 0.00 53.44 51.97 1wbd n ALA 721 Cb 0.66 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 1wbd n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wbd s LEU 722 N -6.04 4.21 -0.01 0.00 1.43 -0.73 -4.73 118.68 112.81 1wbd s LEU 722 Ca 0.66 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1wbd s LEU 722 Cb -0.23 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 42.71 1wbd s LEU 722 CO 0.62 -0.37 -0.01 -0.89 0.23 0.00 0.00 176.35 175.93 1wbd s THR 723 N 1.92 0.14 -0.30 5.49 2.01 0.36 -0.91 115.64 124.34 1wbd s THR 723 Ca 0.41 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.35 1wbd s THR 723 Cb -0.17 -0.18 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 1wbd s THR 723 CO 0.15 0.09 0.11 -0.76 -0.69 0.00 0.00 174.62 173.51 1wbd s LEU 724 N 0.51 3.90 -0.61 4.42 1.43 -0.35 -2.05 118.68 125.92 1wbd s LEU 724 Ca -0.05 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 1wbd s LEU 724 Cb -0.07 -1.93 0.16 0.00 0.03 0.00 0.00 46.19 44.37 1wbd s LEU 724 CO -0.01 -0.17 0.47 0.12 0.23 0.00 0.00 176.35 176.99 1wbd s PHE 725 N 1.56 3.51 0.20 0.29 5.36 0.14 -1.31 117.98 127.72 1wbd s PHE 725 Ca 0.04 -2.27 -0.30 0.00 -0.96 0.00 0.00 56.93 53.44 1wbd s PHE 725 Cb -0.17 -3.44 -0.08 0.00 -0.34 0.00 0.00 43.02 38.99 1wbd s PHE 725 CO 0.04 -0.93 1.07 0.00 -1.46 0.00 0.00 175.22 173.94 1wbd s ALA 726 N 0.49 3.36 0.05 11.12 0.00 0.85 -1.29 121.76 136.35 1wbd s ALA 726 Ca 0.13 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 1wbd s ALA 726 Cb -0.20 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1wbd s ALA 726 CO -0.04 -0.13 0.28 -0.08 0.00 0.00 0.00 175.76 175.80 1wbd s THR 727 N -0.56 0.09 -0.80 0.00 -1.32 -0.41 -0.63 115.64 112.01 1wbd s THR 727 Ca 0.47 -0.75 0.24 0.00 -1.21 0.00 0.00 61.69 60.44 1wbd s THR 727 Cb -0.29 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.69 1wbd s THR 727 CO 0.36 -0.41 1.26 0.00 -2.21 0.00 0.00 174.62 173.61 1wbd n HIS 728 N 0.48 0.22 -2.61 9.09 1.44 -1.26 -4.20 115.22 118.38 1wbd n HIS 728 Ca -0.18 0.07 -0.43 0.00 -2.01 0.00 0.00 57.72 55.16 1wbd n HIS 728 Cb 0.60 -0.40 -0.02 0.00 0.12 0.00 0.00 29.99 30.29 1wbd n HIS 728 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1wbd s TYR 729 N -3.10 2.86 0.58 -1.40 2.02 -1.26 -4.90 117.35 112.16 1wbd s TYR 729 Ca 0.08 0.77 0.28 0.00 -0.37 0.00 0.00 57.07 57.82 1wbd s TYR 729 Cb 0.15 -4.33 1.71 0.00 -0.40 0.00 0.00 41.96 39.10 1wbd s TYR 729 CO 0.74 -1.20 2.21 0.35 -1.57 0.00 0.00 175.55 176.08 1wbd h PHE 730 N 9.07 0.00 0.00 2.71 3.57 -1.98 -2.65 116.94 127.65 1wbd h PHE 730 Ca -0.23 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.22 1wbd h PHE 730 Cb 1.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1wbd h PHE 730 CO 0.96 0.00 -0.24 0.93 -2.23 0.00 0.00 178.31 177.72 1wbd h GLU 731 N 0.00 0.00 0.00 1.11 3.07 -1.94 -2.09 114.58 114.73 1wbd h GLU 731 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1wbd h GLU 731 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1wbd h GLU 731 CO -0.00 0.24 0.00 -0.07 -1.40 0.00 0.00 179.01 177.78 1wbd h LEU 732 N 0.00 0.00 -0.12 1.33 3.38 -1.88 -2.92 115.31 115.09 1wbd h LEU 732 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wbd h LEU 732 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1wbd h LEU 732 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1wbd n THR 733 N -2.34 0.80 1.08 0.22 -2.24 -0.78 -1.69 114.28 109.33 1wbd n THR 733 Ca 0.02 0.19 0.14 0.00 -2.27 0.00 0.00 64.05 62.13 1wbd n THR 733 Cb 0.27 -0.94 0.64 0.00 -2.10 0.00 0.00 70.33 68.21 1wbd n THR 733 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wbd n GLN 734 N -1.66 0.09 -0.13 -0.78 1.13 -1.10 -4.18 117.38 110.74 1wbd n GLN 734 Ca 0.04 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.07 1wbd n GLN 734 Cb 0.22 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.11 1wbd n GLN 734 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1wbd h LEU 735 N 0.00 -0.18 -1.96 1.08 3.38 -1.54 -2.63 115.31 113.47 1wbd h LEU 735 Ca 0.00 0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.30 1wbd h LEU 735 Cb 0.45 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1wbd h LEU 735 CO 0.00 -0.05 0.57 -0.65 0.09 0.00 0.00 178.44 178.40 1wbd h PRO 736 N 0.11 0.03 0.03 1.13 0.11 -1.78 -1.17 132.00 130.47 1wbd h PRO 736 Ca 0.22 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.09 1wbd h PRO 736 Cb 0.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1wbd h PRO 736 CO -0.36 0.02 -1.01 0.93 -0.21 0.00 0.00 178.00 177.38 1wbd h GLU 737 N 0.03 0.39 0.00 1.05 3.07 -1.75 -3.30 114.58 114.07 1wbd h GLU 737 Ca 0.38 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1wbd h GLU 737 Cb 1.47 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.52 1wbd h GLU 737 CO -0.02 1.14 -0.23 1.63 -1.40 0.00 0.00 179.01 180.13 1wbd n LYS 738 N -3.71 0.15 -3.46 2.33 4.76 -0.66 -4.97 118.16 112.60 1wbd n LYS 738 Ca -0.07 0.09 -0.10 0.00 -2.87 0.00 0.00 58.31 55.35 1wbd n LYS 738 Cb 0.87 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 1wbd n LYS 738 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wbd s MET 739 N -3.07 1.06 0.33 1.97 0.23 -0.53 -5.09 119.30 114.19 1wbd s MET 739 Ca 0.11 -0.38 -0.28 0.00 -1.03 0.00 0.00 55.69 54.11 1wbd s MET 739 Cb 0.15 0.49 -0.09 0.00 -1.53 0.00 0.00 34.83 33.85 1wbd s MET 739 CO 0.62 -0.46 1.13 -2.00 -2.03 0.00 0.00 175.02 172.29 1wbd s GLU 740 N -3.40 4.43 0.00 3.16 -6.30 -1.26 -3.85 118.70 111.48 1wbd s GLU 740 Ca 0.03 1.82 0.00 0.00 -2.50 0.00 0.00 54.97 54.32 1wbd s GLU 740 Cb -0.01 -2.99 0.00 0.00 0.00 0.00 0.00 34.13 31.14 1wbd s GLU 740 CO -0.11 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1wbd n GLY 741 N 0.92 0.50 3.28 -1.50 0.00 -1.24 -4.94 105.19 102.21 1wbd n GLY 741 Ca 0.01 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1wbd n GLY 741 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wbd s VAL 742 N -2.00 2.19 0.21 1.61 1.01 -1.25 -1.12 120.40 121.04 1wbd s VAL 742 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1wbd s VAL 742 Cb 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1wbd s VAL 742 CO 0.00 0.57 0.06 0.00 0.00 0.00 0.00 175.10 175.73 1wbd s ALA 743 N -0.06 1.43 -0.12 5.51 0.00 -0.77 -4.43 121.76 123.33 1wbd s ALA 743 Ca -0.06 -1.71 -0.02 0.00 0.00 0.00 0.00 51.96 50.17 1wbd s ALA 743 Cb -0.15 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1wbd s ALA 743 CO 0.05 -0.43 -0.03 -0.80 0.00 0.00 0.00 175.76 174.55 1wbd s ASN 744 N -3.22 4.91 0.30 0.00 0.01 -1.26 -1.26 114.94 114.42 1wbd s ASN 744 Ca 0.32 -0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.47 1wbd s ASN 744 Cb 0.07 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 40.12 1wbd s ASN 744 CO 0.09 0.27 0.16 0.68 -1.51 0.00 0.00 177.10 176.78 1wbd s VAL 745 N -0.21 0.32 0.03 1.60 -7.23 -0.65 -1.17 120.40 113.09 1wbd s VAL 745 Ca 0.04 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 1wbd s VAL 745 Cb -0.13 -2.52 0.09 0.00 0.56 0.00 0.00 36.38 34.39 1wbd s VAL 745 CO 0.02 0.00 0.80 -1.38 -0.31 0.00 0.00 175.10 174.23 1wbd s HIS 746 N -3.63 -0.42 0.05 2.82 -3.43 -0.20 -1.90 115.29 108.58 1wbd s HIS 746 Ca 0.36 0.31 0.01 0.00 -0.80 0.00 0.00 55.06 54.94 1wbd s HIS 746 Cb 0.05 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.70 1wbd s HIS 746 CO 0.17 -0.63 0.10 -0.51 -2.00 0.00 0.00 174.74 171.88 1wbd s LEU 747 N -2.43 3.94 0.00 5.38 1.02 -0.82 -1.07 118.68 124.71 1wbd s LEU 747 Ca 0.03 0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.29 1wbd s LEU 747 Cb -0.01 -2.50 -0.01 0.00 0.02 0.00 0.00 46.19 43.70 1wbd s LEU 747 CO -0.09 0.21 0.06 -0.90 0.02 0.00 0.00 176.35 175.65 1wbd n ASP 748 N 0.68 2.16 -4.15 2.29 5.68 -1.26 -4.11 116.55 117.84 1wbd n ASP 748 Ca -0.09 -2.74 -0.10 0.00 -0.50 0.00 0.00 54.79 51.36 1wbd n ASP 748 Cb 0.52 0.54 -0.10 0.00 -1.14 0.00 0.00 41.12 40.94 1wbd n ASP 748 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wbd s ALA 749 N -2.78 0.86 -0.12 2.12 0.00 -1.26 -1.87 121.76 118.70 1wbd s ALA 749 Ca 0.08 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1wbd s ALA 749 Cb 0.00 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1wbd s ALA 749 CO 0.06 -0.31 -0.18 -1.17 0.00 0.00 0.00 175.76 174.15 1wbd s LEU 750 N -3.02 1.89 -0.13 0.00 2.96 0.25 -4.89 118.68 115.73 1wbd s LEU 750 Ca 0.13 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.37 1wbd s LEU 750 Cb 0.06 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1wbd s LEU 750 CO -0.05 0.04 0.40 -1.61 -1.32 0.00 0.00 176.35 173.81 1wbd s GLU 751 N 0.93 4.29 0.11 1.98 2.02 -1.26 -0.38 118.70 126.40 1wbd s GLU 751 Ca -0.06 0.30 -0.19 0.00 0.02 0.00 0.00 54.97 55.04 1wbd s GLU 751 Cb -0.15 -3.43 0.04 0.00 0.10 0.00 0.00 34.13 30.70 1wbd s GLU 751 CO -0.02 0.21 0.46 -3.38 0.02 0.00 0.00 175.26 172.55 1wbd s HIS 752 N 0.51 -0.31 0.00 1.61 -3.43 -1.10 -5.02 115.29 107.55 1wbd s HIS 752 Ca 0.22 0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.57 1wbd s HIS 752 Cb -0.14 0.33 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 1wbd s HIS 752 CO 0.08 -0.71 0.00 0.41 -2.00 0.00 0.00 174.74 172.51 1wbd n GLY 753 N -0.10 1.83 0.40 -1.38 0.00 -1.26 -1.27 105.19 103.40 1wbd n GLY 753 Ca -0.17 0.56 0.06 0.00 0.00 0.00 0.00 46.02 46.48 1wbd n GLY 753 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wbd n ASP 754 N 4.85 1.51 -1.07 1.61 8.00 -1.26 -5.07 116.55 125.12 1wbd n ASP 754 Ca 0.00 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.66 1wbd n ASP 754 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1wbd n ASP 754 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wbd n THR 755 N -0.84 0.00 -3.96 -3.53 -2.24 -0.40 -5.02 114.28 98.29 1wbd n THR 755 Ca 0.11 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.73 1wbd n THR 755 Cb 0.71 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.78 1wbd n THR 755 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1wbd s ILE 756 N -1.65 0.20 -0.43 2.28 2.07 -1.26 -2.72 121.20 119.69 1wbd s ILE 756 Ca 0.00 0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.14 1wbd s ILE 756 Cb 0.00 -0.26 0.06 0.00 0.13 0.00 0.00 42.46 42.39 1wbd s ILE 756 CO 0.00 0.13 0.30 0.00 -1.91 0.00 0.00 174.94 173.45 1wbd s ALA 757 N 0.74 3.39 -0.82 1.50 0.00 0.49 -4.95 121.76 122.11 1wbd s ALA 757 Ca -0.07 -2.00 -0.26 0.00 0.00 0.00 0.00 51.96 49.63 1wbd s ALA 757 Cb -0.11 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.24 1wbd s ALA 757 CO -0.01 -1.60 1.42 -0.06 0.00 0.00 0.00 175.76 175.51 1wbd s PHE 758 N 1.55 2.28 0.53 0.00 0.08 -1.26 -0.59 117.98 120.57 1wbd s PHE 758 Ca 0.03 -0.19 -0.22 0.00 0.12 0.00 0.00 56.93 56.67 1wbd s PHE 758 Cb -0.22 -4.57 -0.06 0.00 -0.57 0.00 0.00 43.02 37.60 1wbd s PHE 758 CO 0.05 -2.04 1.38 -1.33 -0.10 0.00 0.00 175.22 173.18 1wbd n MET 759 N 9.18 1.81 -0.73 0.44 2.81 -0.78 -4.92 117.12 124.93 1wbd n MET 759 Ca 0.16 0.66 0.04 0.00 -1.81 0.00 0.00 57.70 56.75 1wbd n MET 759 Cb 0.50 -2.59 0.30 0.00 -0.71 0.00 0.00 33.22 30.72 1wbd n MET 759 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1wbd n HIS 760 N -0.87 1.60 -3.57 2.03 -0.00 -1.26 -4.37 115.22 108.77 1wbd n HIS 760 Ca 0.09 -0.98 -0.39 0.00 -0.00 0.00 0.00 57.72 56.45 1wbd n HIS 760 Cb 0.44 -0.47 -0.11 0.00 -0.00 0.00 0.00 29.99 29.85 1wbd n HIS 760 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1wbd s SER 761 N -1.50 6.04 -0.14 0.41 0.15 -1.26 -4.91 113.70 112.49 1wbd s SER 761 Ca 0.49 -0.11 -0.29 0.00 0.70 0.00 0.00 55.95 56.73 1wbd s SER 761 Cb 0.39 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.57 1wbd s SER 761 CO 0.11 -0.10 0.99 -0.69 1.20 0.00 0.00 173.24 174.75 1wbd s VAL 762 N 1.76 4.77 0.18 4.45 1.01 -1.26 -4.51 120.40 126.80 1wbd s VAL 762 Ca 0.07 1.99 0.11 0.00 0.00 0.00 0.00 61.98 64.15 1wbd s VAL 762 Cb -0.16 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1wbd s VAL 762 CO 0.11 -0.03 -0.21 -1.10 0.00 0.00 0.00 175.10 173.86 1wbd s GLN 763 N 2.30 1.63 0.46 2.72 -0.21 -0.23 -4.90 119.66 121.43 1wbd s GLN 763 Ca 0.46 -1.44 -0.23 0.00 0.02 0.00 0.00 55.36 54.17 1wbd s GLN 763 Cb -0.17 -1.93 -0.07 0.00 1.00 0.00 0.00 33.01 31.84 1wbd s GLN 763 CO 0.15 0.41 1.18 -0.51 -2.12 0.00 0.00 175.29 174.40 1wbd s ASP 764 N -2.63 6.13 0.00 5.90 1.01 -1.26 -1.04 116.67 124.78 1wbd s ASP 764 Ca 0.21 2.35 0.00 0.00 0.71 0.00 0.00 52.55 55.82 1wbd s ASP 764 Cb -0.08 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1wbd s ASP 764 CO 0.11 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 175.15 1wbd n GLY 765 N 0.48 1.27 3.78 0.21 0.00 -0.31 -4.77 105.19 105.85 1wbd n GLY 765 Ca 0.07 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 1wbd n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbd s ALA 766 N -2.17 2.42 0.46 4.61 0.00 -1.26 -3.25 121.76 122.56 1wbd s ALA 766 Ca 0.00 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.03 1wbd s ALA 766 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 1wbd s ALA 766 CO 0.00 -1.50 0.98 0.00 0.00 0.00 0.00 175.76 175.24 1wbd s ALA 767 N -2.83 2.98 -0.04 0.00 0.00 -1.26 -4.90 121.76 115.70 1wbd s ALA 767 Ca 0.61 0.47 0.06 0.00 0.00 0.00 0.00 51.96 53.10 1wbd s ALA 767 Cb -0.17 -3.19 0.09 0.00 0.00 0.00 0.00 23.12 19.86 1wbd s ALA 767 CO 0.52 -0.05 1.01 -1.13 0.00 0.00 0.00 175.76 176.11 1wbd n SER 768 N -0.81 1.90 -3.84 0.00 3.41 -1.26 -4.99 113.62 108.03 1wbd n SER 768 Ca 0.08 -2.27 -0.12 0.00 -0.26 0.00 0.00 58.87 56.30 1wbd n SER 768 Cb 0.53 -0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.22 1wbd n SER 768 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wbd s LYS 769 N -1.48 0.16 0.22 4.33 1.02 -1.26 -5.15 119.74 117.57 1wbd s LYS 769 Ca 0.10 0.09 0.06 0.00 0.02 0.00 0.00 55.97 56.23 1wbd s LYS 769 Cb 0.09 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1wbd s LYS 769 CO 0.01 -0.02 0.22 -1.54 -0.92 0.00 0.00 175.35 173.09 1wbd s SER 770 N -0.09 5.74 0.00 2.83 1.04 -1.26 -4.77 113.70 117.18 1wbd s SER 770 Ca -0.02 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1wbd s SER 770 Cb -0.02 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1wbd s SER 770 CO 0.00 -0.01 0.54 -1.22 0.98 0.00 0.00 173.24 173.53 1wbd n TYR 771 N -0.95 0.00 -0.22 5.02 4.01 -1.26 -4.81 117.16 118.95 1wbd n TYR 771 Ca -0.08 -0.14 0.02 0.00 -0.16 0.00 0.00 57.90 57.53 1wbd n TYR 771 Cb 0.57 -0.01 0.13 0.00 -0.31 0.00 0.00 39.34 39.72 1wbd n TYR 771 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1wbd h GLY 772 N 0.00 0.96 1.48 2.72 0.00 -1.99 -0.93 103.07 105.31 1wbd h GLY 772 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 1wbd h GLY 772 CO 0.00 -0.04 -0.77 1.41 0.00 0.00 0.00 176.54 177.14 1wbd h LEU 773 N 0.44 0.61 -0.85 3.11 3.38 -1.99 -1.32 115.31 118.68 1wbd h LEU 773 Ca 0.34 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1wbd h LEU 773 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1wbd h LEU 773 CO -0.34 1.17 -0.27 0.00 0.09 0.00 0.00 178.44 179.10 1wbd h ALA 774 N 0.81 1.02 -0.15 1.53 0.00 -1.76 -1.44 119.26 119.28 1wbd h ALA 774 Ca -0.04 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1wbd h ALA 774 Cb 1.37 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wbd h ALA 774 CO 0.14 0.59 -0.62 0.28 0.00 0.00 0.00 179.25 179.63 1wbd h VAL 775 N 0.48 1.34 -0.98 0.00 2.07 -1.12 -2.58 116.25 115.46 1wbd h VAL 775 Ca 0.07 -1.92 0.01 0.00 0.82 0.00 0.00 66.70 65.68 1wbd h VAL 775 Cb 0.72 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1wbd h VAL 775 CO 0.05 0.59 0.65 0.00 0.02 0.00 0.00 177.57 178.88 1wbd h ALA 776 N 0.93 1.24 0.03 1.67 0.00 -0.97 -2.13 119.26 120.04 1wbd h ALA 776 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wbd h ALA 776 Cb 1.18 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wbd h ALA 776 CO 0.11 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.97 1wbd h ALA 777 N 1.36 -0.04 -0.91 0.00 0.00 -1.13 -2.35 119.26 116.19 1wbd h ALA 777 Ca 0.36 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1wbd h ALA 777 Cb -0.14 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 1wbd h ALA 777 CO -0.08 -0.41 0.58 -0.07 0.00 0.00 0.00 179.25 179.27 1wbd h LEU 778 N -0.28 0.65 0.00 0.00 3.38 -1.45 -0.79 115.31 116.83 1wbd h LEU 778 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wbd h LEU 778 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1wbd h LEU 778 CO 0.01 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1wbd n ALA 779 N -2.43 2.18 -0.06 1.53 0.00 -0.80 -4.92 120.51 116.00 1wbd n ALA 779 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1wbd n ALA 779 Cb 0.50 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1wbd n ALA 779 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wbd n GLY 780 N 0.91 0.97 3.69 0.00 0.00 -0.30 -5.06 105.19 105.41 1wbd n GLY 780 Ca 0.09 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1wbd n GLY 780 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wbd s VAL 781 N -2.00 2.60 0.45 1.61 1.01 -0.91 -4.89 120.40 118.27 1wbd s VAL 781 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 1wbd s VAL 781 Cb 0.00 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 1wbd s VAL 781 CO 0.00 0.00 1.08 -2.65 0.00 0.00 0.00 175.10 173.53 1wbd n PRO 782 N 5.46 1.44 -0.26 2.72 -0.02 -1.26 -4.67 135.00 138.42 1wbd n PRO 782 Ca 0.17 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.23 1wbd n PRO 782 Cb 0.38 -2.16 0.19 0.00 -0.02 0.00 0.00 33.50 31.90 1wbd n PRO 782 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1wbd h LYS 783 N 1.53 0.24 -0.36 -0.52 1.57 -1.97 -1.71 116.57 115.35 1wbd h LYS 783 Ca -0.46 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 1wbd h LYS 783 Cb 1.33 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1wbd h LYS 783 CO 0.57 0.16 -0.05 1.49 -0.57 0.00 0.00 179.45 181.05 1wbd h GLU 784 N 0.25 0.59 -0.12 3.15 4.57 -2.00 -1.02 114.58 120.00 1wbd h GLU 784 Ca 0.43 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 1wbd h GLU 784 Cb 0.76 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1wbd h GLU 784 CO -0.54 0.65 0.05 0.28 -1.18 0.00 0.00 179.01 178.27 1wbd h VAL 785 N 0.55 1.13 -0.73 0.32 2.07 -1.67 -2.54 116.25 115.39 1wbd h VAL 785 Ca 0.11 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.29 1wbd h VAL 785 Cb 0.43 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1wbd h VAL 785 CO 0.02 0.12 0.44 0.40 0.02 0.00 0.00 177.57 178.57 1wbd h ILE 786 N 0.06 1.06 -0.53 4.57 2.04 -1.08 -0.75 117.51 122.87 1wbd h ILE 786 Ca 0.04 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1wbd h ILE 786 Cb 0.14 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 1wbd h ILE 786 CO -0.00 0.15 0.24 0.50 0.00 0.00 0.00 178.15 179.04 1wbd h LYS 787 N 0.84 0.45 -0.37 2.37 3.64 -1.17 0.98 116.57 123.32 1wbd h LYS 787 Ca 0.30 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.53 1wbd h LYS 787 Cb 0.09 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1wbd h LYS 787 CO -0.14 0.30 -0.30 -0.09 -2.27 0.00 0.00 179.45 176.96 1wbd h ARG 788 N 0.47 0.78 -0.56 1.90 9.65 -1.04 -2.28 114.38 123.30 1wbd h ARG 788 Ca 0.24 -0.35 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 1wbd h ARG 788 Cb 0.20 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 1wbd h ARG 788 CO -0.20 0.98 0.16 0.00 2.80 0.00 0.00 179.97 183.71 1wbd h ALA 789 N 1.00 1.22 -0.35 2.80 0.00 -0.53 -1.72 119.26 121.67 1wbd h ALA 789 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1wbd h ALA 789 Cb 0.83 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wbd h ALA 789 CO 0.07 0.55 0.18 -0.09 0.00 0.00 0.00 179.25 179.96 1wbd h ARG 790 N 0.83 0.50 -0.32 0.00 9.65 -0.53 0.18 114.38 124.69 1wbd h ARG 790 Ca 0.19 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1wbd h ARG 790 Cb 0.27 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1wbd h ARG 790 CO -0.01 0.44 0.20 0.37 2.80 0.00 0.00 179.97 183.77 1wbd h GLN 791 N 0.44 0.40 -0.23 0.20 4.15 -1.24 -2.06 115.11 116.78 1wbd h GLN 791 Ca 0.12 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.40 1wbd h GLN 791 Cb 0.09 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1wbd h GLN 791 CO -0.02 0.27 -0.37 -0.22 -1.93 0.00 0.00 178.83 176.56 1wbd h LYS 792 N 0.42 0.51 -0.11 1.69 1.63 -1.07 -2.06 116.57 117.58 1wbd h LYS 792 Ca 0.12 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1wbd h LYS 792 Cb -0.03 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1wbd h LYS 792 CO -0.04 0.80 0.07 1.25 -3.45 0.00 0.00 179.45 178.08 1wbd h LEU 793 N 0.43 0.13 -0.43 5.20 5.85 -0.42 -0.70 115.31 125.37 1wbd h LEU 793 Ca 0.04 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1wbd h LEU 793 Cb 0.84 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1wbd h LEU 793 CO 0.07 0.09 0.18 -0.09 -0.34 0.00 0.00 178.44 178.35 1wbd h ARG 794 N 0.15 0.64 -0.72 1.25 2.43 -1.20 -1.03 114.38 115.91 1wbd h ARG 794 Ca 0.04 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1wbd h ARG 794 Cb -0.02 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1wbd h ARG 794 CO -0.01 0.59 0.45 1.49 -1.51 0.00 0.00 179.97 180.98 1wbd h GLU 795 N 0.56 0.97 -0.22 0.20 4.81 -1.23 -1.87 114.58 117.80 1wbd h GLU 795 Ca 0.14 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1wbd h GLU 795 Cb 0.18 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1wbd h GLU 795 CO -0.01 0.67 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.77 1wbd h LEU 796 N 0.98 0.46 -0.72 1.64 3.38 -0.77 -3.23 115.31 117.05 1wbd h LEU 796 Ca 0.26 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1wbd h LEU 796 Cb -0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1wbd h LEU 796 CO -0.05 0.77 -0.17 -0.33 0.09 0.00 0.00 178.44 178.75 1wbd h GLU 797 N 0.16 0.00 0.00 1.13 5.08 -1.15 -3.32 114.58 116.47 1wbd h GLU 797 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1wbd h GLU 797 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1wbd h GLU 797 CO 0.03 0.17 -0.03 0.77 -1.00 0.00 0.00 179.01 178.95 1wbd h SER 798 N 0.00 0.00 1.23 1.42 0.02 -1.35 -2.62 113.55 112.25 1wbd h SER 798 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wbd h SER 798 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1wbd h SER 798 CO 0.02 0.03 -0.06 -0.38 -1.14 0.00 0.00 176.83 175.30 1wbd n ILE 799 N -3.13 0.34 0.80 3.27 5.41 -1.25 -5.11 119.36 119.70 1wbd n ILE 799 Ca 0.01 -0.17 0.10 0.00 1.00 0.00 0.00 62.75 63.68 1wbd n ILE 799 Cb 0.34 -0.50 0.08 0.00 -0.71 0.00 0.00 39.64 38.86 1wbd n ILE 799 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31