#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbd s ALA 3 N 0.00 3.44 -0.46 7.33 0.00 -1.26 -4.95 121.76 125.87 1wbd s ALA 3 Ca 0.00 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 1wbd s ALA 3 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1wbd s ALA 3 CO 0.00 -0.35 1.68 0.42 0.00 0.00 0.00 175.76 177.51 1wbd s ILE 4 N -1.02 3.58 -0.24 0.00 1.01 -1.26 -4.88 121.20 118.39 1wbd s ILE 4 Ca 0.47 0.53 -0.02 0.00 0.00 0.00 0.00 60.65 61.63 1wbd s ILE 4 Cb -0.35 -3.96 0.08 0.00 0.01 0.00 0.00 42.46 38.25 1wbd s ILE 4 CO 0.44 -0.73 2.35 -0.62 0.00 0.00 0.00 174.94 176.38 1wbd n GLU 5 N 8.59 1.78 -0.74 2.79 -0.58 -1.26 -4.87 120.64 126.34 1wbd n GLU 5 Ca 0.19 -1.32 -0.32 0.00 -0.42 0.00 0.00 57.16 55.29 1wbd n GLU 5 Cb 0.49 -1.63 0.14 0.00 -0.57 0.00 0.00 31.44 29.86 1wbd n GLU 5 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1wbd n ASN 6 N 0.94 -1.07 -0.13 1.62 6.94 -1.26 -4.91 115.26 117.38 1wbd n ASN 6 Ca 0.29 0.37 -0.04 0.00 -0.02 0.00 0.00 54.58 55.17 1wbd n ASN 6 Cb 0.60 -1.32 0.02 0.00 -2.36 0.00 0.00 39.78 36.72 1wbd n ASN 6 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1wbd h PHE 7 N -1.71 -0.25 0.00 -2.53 3.57 -1.97 -2.55 116.94 111.50 1wbd h PHE 7 Ca -0.43 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1wbd h PHE 7 Cb 1.28 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 40.19 1wbd h PHE 7 CO 0.44 -0.20 -0.13 -0.44 -2.23 0.00 0.00 178.31 175.75 1wbd h ASP 8 N -0.01 0.00 0.23 0.41 3.32 -1.99 -2.55 116.42 115.83 1wbd h ASP 8 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1wbd h ASP 8 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1wbd h ASP 8 CO -0.45 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.19 1wbd n ALA 9 N -2.42 2.10 -2.85 3.45 0.00 -0.96 -4.79 120.51 115.04 1wbd n ALA 9 Ca -0.02 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 1wbd n ALA 9 Cb 0.21 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 1wbd n ALA 9 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1wbd s HIS 10 N -2.36 3.58 0.72 0.00 3.76 -0.96 -4.96 115.29 115.07 1wbd s HIS 10 Ca 0.23 0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 55.47 1wbd s HIS 10 Cb 0.13 -1.91 0.03 0.00 1.11 0.00 0.00 32.58 31.94 1wbd s HIS 10 CO 0.27 0.67 1.20 0.95 -0.85 0.00 0.00 174.74 176.98 1wbd s THR 11 N -1.22 2.36 0.48 1.30 -4.23 -1.26 -4.76 115.64 108.31 1wbd s THR 11 Ca 0.23 0.18 0.25 0.00 -1.18 0.00 0.00 61.69 61.17 1wbd s THR 11 Cb -0.13 -2.76 0.43 0.00 1.34 0.00 0.00 72.50 71.38 1wbd s THR 11 CO 0.13 -0.09 1.88 -0.65 -0.54 0.00 0.00 174.62 175.34 1wbd h PRO 12 N -0.22 0.18 -0.00 3.99 0.11 -1.98 -1.11 132.00 132.97 1wbd h PRO 12 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wbd h PRO 12 Cb 1.29 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wbd h PRO 12 CO 0.50 0.12 0.00 1.98 -0.21 0.00 0.00 178.00 180.39 1wbd h MET 13 N 0.18 0.00 0.00 1.05 1.85 -2.00 -2.76 114.93 113.25 1wbd h MET 13 Ca 0.44 -0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 59.39 1wbd h MET 13 Cb 1.45 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.46 1wbd h MET 13 CO -0.09 0.14 -0.69 0.52 -0.40 0.00 0.00 176.91 176.40 1wbd h MET 14 N -0.14 0.00 0.13 0.39 2.86 -1.82 -1.15 114.93 115.19 1wbd h MET 14 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1wbd h MET 14 Cb 0.14 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1wbd h MET 14 CO -0.00 0.69 -0.37 1.96 1.06 0.00 0.00 176.91 180.25 1wbd h GLN 15 N 0.00 -0.54 -0.43 1.72 4.20 -1.18 0.11 115.11 119.00 1wbd h GLN 15 Ca -0.01 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.82 1wbd h GLN 15 Cb 1.47 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 29.30 1wbd h GLN 15 CO 0.09 -0.36 -0.03 0.37 -0.67 0.00 0.00 178.83 178.24 1wbd h GLN 16 N -0.56 0.08 -0.56 1.46 4.15 -1.45 -1.81 115.11 116.42 1wbd h GLN 16 Ca -0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1wbd h GLN 16 Cb 0.54 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1wbd h GLN 16 CO -0.17 0.05 0.32 -0.92 -1.93 0.00 0.00 178.83 176.18 1wbd h TYR 17 N 0.08 0.75 -0.19 3.99 3.20 -1.08 -2.48 116.97 121.23 1wbd h TYR 17 Ca 0.21 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 1wbd h TYR 17 Cb 0.31 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1wbd h TYR 17 CO -0.30 0.53 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.36 1wbd h LEU 18 N 0.75 0.40 -0.91 2.82 3.38 -0.53 -0.19 115.31 121.03 1wbd h LEU 18 Ca 0.20 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1wbd h LEU 18 Cb 0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1wbd h LEU 18 CO -0.03 0.71 0.58 0.03 0.09 0.00 0.00 178.44 179.81 1wbd h ARG 19 N 0.34 1.04 0.13 1.13 3.08 -1.03 -1.21 114.38 117.85 1wbd h ARG 19 Ca 0.04 -0.06 -0.30 0.00 0.07 0.00 0.00 59.98 59.73 1wbd h ARG 19 Cb 0.74 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1wbd h ARG 19 CO 0.06 0.69 -1.49 -0.07 -1.07 0.00 0.00 179.97 178.08 1wbd h LEU 20 N 1.07 0.43 -1.50 3.04 3.38 -1.07 -3.03 115.31 117.62 1wbd h LEU 20 Ca 0.38 -0.56 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1wbd h LEU 20 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1wbd h LEU 20 CO -0.16 1.46 -0.26 0.50 0.09 0.00 0.00 178.44 180.08 1wbd h LYS 21 N 0.07 0.00 0.00 1.13 1.63 -1.02 -2.78 116.57 115.60 1wbd h LYS 21 Ca -0.23 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.53 1wbd h LYS 21 Cb 2.02 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.64 1wbd h LYS 21 CO 0.17 0.26 -0.20 0.00 -3.45 0.00 0.00 179.45 176.23 1wbd h ALA 22 N 1.74 1.60 -0.01 5.00 0.00 -1.09 -0.44 119.26 126.07 1wbd h ALA 22 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1wbd h ALA 22 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1wbd h ALA 22 CO 0.03 0.25 -0.04 1.04 0.00 0.00 0.00 179.25 180.54 1wbd n GLN 23 N -4.21 1.05 -2.73 0.00 6.02 -1.05 -4.05 117.38 112.40 1wbd n GLN 23 Ca -0.02 -0.33 -0.09 0.00 -0.01 0.00 0.00 57.00 56.54 1wbd n GLN 23 Cb 0.27 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.09 1wbd n GLN 23 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1wbd n HIS 24 N -0.69 -0.26 0.25 1.08 8.25 -0.23 -5.01 115.22 118.61 1wbd n HIS 24 Ca 0.19 -2.61 0.11 0.00 -0.26 0.00 0.00 57.72 55.15 1wbd n HIS 24 Cb 0.24 0.32 0.62 0.00 1.12 0.00 0.00 29.99 32.29 1wbd n HIS 24 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wbd h PRO 25 N 2.71 0.00 -0.01 -0.41 0.13 -1.56 -3.11 132.00 129.74 1wbd h PRO 25 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1wbd h PRO 25 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wbd h PRO 25 CO 0.31 0.17 -0.32 0.39 -0.23 0.00 0.00 178.00 178.33 1wbd n GLU 26 N -3.58 1.66 -4.41 0.86 1.02 -1.26 -5.00 120.64 109.93 1wbd n GLU 26 Ca -0.01 -0.85 -0.27 0.00 -0.02 0.00 0.00 57.16 56.01 1wbd n GLU 26 Cb 0.31 -1.28 -0.12 0.00 -0.02 0.00 0.00 31.44 30.33 1wbd n GLU 26 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1wbd s ILE 27 N -1.87 2.39 0.28 -3.67 -4.36 -1.18 -5.07 121.20 107.72 1wbd s ILE 27 Ca 0.14 -1.99 -0.30 0.00 -0.26 0.00 0.00 60.65 58.24 1wbd s ILE 27 Cb 0.13 -2.14 -0.12 0.00 1.25 0.00 0.00 42.46 41.58 1wbd s ILE 27 CO 0.39 -0.10 1.59 0.18 0.24 0.00 0.00 174.94 177.25 1wbd n LEU 28 N 0.32 4.19 -4.13 0.37 4.77 -1.24 -4.84 117.00 116.44 1wbd n LEU 28 Ca -0.13 1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 56.66 1wbd n LEU 28 Cb 0.56 -1.57 -0.15 0.00 -2.33 0.00 0.00 43.42 39.92 1wbd n LEU 28 CO 0.29 0.09 -0.45 -0.22 -1.33 0.00 0.00 177.39 175.77 1wbd s LEU 29 N -0.24 3.16 -0.34 2.23 2.96 -1.26 -0.78 118.68 124.40 1wbd s LEU 29 Ca 0.66 -1.08 -0.26 0.00 -0.22 0.00 0.00 54.13 53.23 1wbd s LEU 29 Cb -0.51 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1wbd s LEU 29 CO 0.47 -0.14 0.91 -0.36 -1.32 0.00 0.00 176.35 175.90 1wbd s PHE 30 N 1.22 3.12 -0.28 5.38 0.40 -0.08 -4.48 117.98 123.26 1wbd s PHE 30 Ca -0.03 0.84 -0.03 0.00 -0.60 0.00 0.00 56.93 57.11 1wbd s PHE 30 Cb -0.18 -3.53 0.04 0.00 0.51 0.00 0.00 43.02 39.86 1wbd s PHE 30 CO -0.06 -0.74 -0.01 -0.47 0.70 0.00 0.00 175.22 174.64 1wbd s TYR 31 N 3.34 3.17 -0.20 0.36 5.04 -0.05 -1.05 117.35 127.97 1wbd s TYR 31 Ca 0.37 -1.62 -0.29 0.00 -2.44 0.00 0.00 57.07 53.09 1wbd s TYR 31 Cb -0.13 -2.11 -0.02 0.00 0.35 0.00 0.00 41.96 40.05 1wbd s TYR 31 CO 0.16 -0.74 1.45 0.50 -1.34 0.00 0.00 175.55 175.58 1wbd s ARG 32 N 1.32 4.00 -0.25 4.97 6.06 -0.87 -0.26 118.95 133.92 1wbd s ARG 32 Ca -0.02 1.64 -0.01 0.00 -2.50 0.00 0.00 55.73 54.84 1wbd s ARG 32 Cb -0.18 -3.92 0.07 0.00 0.06 0.00 0.00 34.95 30.98 1wbd s ARG 32 CO -0.02 -1.03 0.02 -1.64 -2.50 0.00 0.00 175.30 170.14 1wbd s MET 33 N 4.14 1.04 7.71 5.12 -1.94 0.27 -4.68 119.30 130.97 1wbd s MET 33 Ca 0.64 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1wbd s MET 33 Cb -0.23 -2.30 0.00 0.00 2.01 0.00 0.00 34.83 34.31 1wbd s MET 33 CO 0.24 -0.74 0.00 0.41 -0.01 0.00 0.00 175.02 174.92 1wbd n GLY 34 N 4.82 3.63 0.17 -0.03 0.00 -1.26 -2.15 105.19 110.37 1wbd n GLY 34 Ca -0.07 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 5.08 0.52 -4.27 1.61 9.92 -1.26 -4.84 116.55 123.31 1wbd n ASP 35 Ca 0.00 -1.63 -0.27 0.00 -0.53 0.00 0.00 54.79 52.36 1wbd n ASP 35 Cb 0.00 -0.04 -0.15 0.00 -0.64 0.00 0.00 41.12 40.29 1wbd n ASP 35 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1wbd s PHE 36 N -1.92 1.95 -0.15 1.24 0.40 -0.92 0.30 117.98 118.88 1wbd s PHE 36 Ca 0.24 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.98 1wbd s PHE 36 Cb 0.12 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.43 1wbd s PHE 36 CO 0.18 0.07 0.60 0.71 0.70 0.00 0.00 175.22 177.48 1wbd s TYR 37 N -0.74 3.45 0.18 0.36 2.02 -0.23 -0.56 117.35 121.83 1wbd s TYR 37 Ca 0.09 0.97 0.09 0.00 -0.37 0.00 0.00 57.07 57.84 1wbd s TYR 37 Cb -0.09 -2.73 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 1wbd s TYR 37 CO 0.01 -0.03 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.22 1wbd s GLN 38 N 1.35 2.07 0.08 -0.62 -1.52 0.64 -1.60 119.66 120.06 1wbd s GLN 38 Ca 0.29 -1.26 0.04 0.00 -1.95 0.00 0.00 55.36 52.48 1wbd s GLN 38 Cb -0.16 -2.16 -0.03 0.00 -0.22 0.00 0.00 33.01 30.44 1wbd s GLN 38 CO 0.12 0.44 -0.12 -0.51 -0.25 0.00 0.00 175.29 174.97 1wbd s LEU 39 N -2.83 2.32 0.12 2.90 1.02 0.45 -0.87 118.68 121.79 1wbd s LEU 39 Ca 0.25 -0.68 0.04 0.00 0.02 0.00 0.00 54.13 53.76 1wbd s LEU 39 Cb -0.09 -0.38 -0.04 0.00 0.02 0.00 0.00 46.19 45.70 1wbd s LEU 39 CO 0.15 -0.16 -0.10 -0.36 0.02 0.00 0.00 176.35 175.90 1wbd s PHE 40 N -1.71 1.15 0.00 0.29 0.08 -1.26 -2.40 117.98 114.13 1wbd s PHE 40 Ca -0.01 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.34 1wbd s PHE 40 Cb -0.07 -0.61 0.00 0.00 -0.57 0.00 0.00 43.02 41.76 1wbd s PHE 40 CO 0.01 0.03 0.00 0.66 -0.10 0.00 0.00 175.22 175.82 1wbd n TYR 41 N 0.26 0.00 0.17 0.36 4.01 -0.67 -2.33 117.16 118.96 1wbd n TYR 41 Ca -0.14 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.62 1wbd n TYR 41 Cb 0.59 0.02 0.36 0.00 -0.31 0.00 0.00 39.34 40.00 1wbd n TYR 41 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1wbd h ASP 42 N 3.92 0.07 -0.69 7.72 3.32 -1.98 -1.89 116.42 126.89 1wbd h ASP 42 Ca 0.00 -0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.16 1wbd h ASP 42 Cb 0.00 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.44 1wbd h ASP 42 CO 0.00 0.39 0.23 0.44 -1.72 0.00 0.00 179.24 178.57 1wbd h ASP 43 N 0.06 0.16 -0.53 6.45 5.19 -1.85 0.81 116.42 126.70 1wbd h ASP 43 Ca 0.01 0.11 -0.09 0.00 -0.62 0.00 0.00 57.03 56.44 1wbd h ASP 43 Cb 0.60 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 1wbd h ASP 43 CO 0.04 0.06 -0.02 0.00 -3.12 0.00 0.00 179.24 176.21 1wbd h ALA 44 N 1.52 0.72 -0.42 3.45 0.00 -1.31 0.17 119.26 123.39 1wbd h ALA 44 Ca 0.37 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1wbd h ALA 44 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1wbd h ALA 44 CO -0.41 0.55 -0.25 0.87 0.00 0.00 0.00 179.25 180.01 1wbd h LYS 45 N 0.82 0.91 -0.07 0.00 1.57 -1.14 0.27 116.57 118.94 1wbd h LYS 45 Ca 0.15 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1wbd h LYS 45 Cb 0.55 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1wbd h LYS 45 CO 0.03 1.07 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.81 1wbd h ARG 46 N 0.74 0.17 -0.62 3.15 2.43 -0.79 -2.15 114.38 117.31 1wbd h ARG 46 Ca 0.09 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1wbd h ARG 46 Cb 0.82 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 1wbd h ARG 46 CO 0.07 0.64 0.35 0.00 -1.51 0.00 0.00 179.97 179.52 1wbd h ALA 47 N 0.53 0.81 -0.39 2.80 0.00 -0.57 -0.55 119.26 121.90 1wbd h ALA 47 Ca 0.01 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1wbd h ALA 47 Cb 0.61 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1wbd h ALA 47 CO 0.02 0.04 0.05 1.03 0.00 0.00 0.00 179.25 180.39 1wbd h SER 48 N 0.66 -0.06 -0.26 0.00 0.87 -0.39 0.32 113.55 114.69 1wbd h SER 48 Ca 0.27 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 1wbd h SER 48 Cb 0.13 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1wbd h SER 48 CO -0.15 0.01 0.01 1.56 -0.53 0.00 0.00 176.83 177.73 1wbd h GLN 49 N 0.16 0.45 -0.08 2.24 4.20 -0.80 -2.48 115.11 118.81 1wbd h GLN 49 Ca 0.19 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1wbd h GLN 49 Cb 0.24 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wbd h GLN 49 CO -0.27 0.60 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.39 1wbd h LEU 50 N 0.25 0.17 0.00 1.46 3.38 -0.96 -3.35 115.31 116.26 1wbd h LEU 50 Ca 0.08 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1wbd h LEU 50 Cb 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wbd h LEU 50 CO 0.01 0.54 -0.81 0.18 0.09 0.00 0.00 178.44 178.45 1wbd n LEU 51 N -4.76 0.65 -2.50 1.67 4.77 0.09 -4.98 117.00 111.93 1wbd n LEU 51 Ca -0.07 -0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 1wbd n LEU 51 Cb 0.26 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1wbd n LEU 51 CO 0.36 0.10 0.03 -0.67 -1.33 0.00 0.00 177.39 175.88 1wbd n ASP 52 N -1.72 -4.22 -4.39 -1.43 2.03 -0.94 -5.04 116.55 100.84 1wbd n ASP 52 Ca 0.04 -0.40 -0.19 0.00 0.52 0.00 0.00 54.79 54.75 1wbd n ASP 52 Cb 0.38 -3.24 -0.10 0.00 -0.72 0.00 0.00 41.12 37.43 1wbd n ASP 52 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wbd s ILE 53 N -3.22 0.94 0.23 5.18 -4.36 -1.17 -5.09 121.20 113.71 1wbd s ILE 53 Ca 0.22 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.31 1wbd s ILE 53 Cb -0.03 -2.68 -0.09 0.00 1.25 0.00 0.00 42.46 40.91 1wbd s ILE 53 CO 0.43 -0.04 1.18 -0.55 0.24 0.00 0.00 174.94 176.20 1wbd s SER 54 N -3.40 7.11 -0.37 4.36 0.15 -1.26 -4.60 113.70 115.68 1wbd s SER 54 Ca 0.36 2.28 -0.16 0.00 0.70 0.00 0.00 55.95 59.14 1wbd s SER 54 Cb 0.08 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1wbd s SER 54 CO 0.14 -0.32 0.37 -0.22 1.20 0.00 0.00 173.24 174.41 1wbd s LEU 55 N -0.74 4.64 0.00 3.45 2.96 -1.26 -4.53 118.68 123.20 1wbd s LEU 55 Ca 0.50 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 1wbd s LEU 55 Cb -0.33 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 1wbd s LEU 55 CO 0.39 -0.41 0.01 1.07 -1.32 0.00 0.00 176.35 176.09 1wbd n THR 56 N 5.28 0.00 -4.53 3.68 5.66 0.90 -4.94 114.28 120.33 1wbd n THR 56 Ca -0.09 -0.48 -0.23 0.00 -3.05 0.00 0.00 64.05 60.21 1wbd n THR 56 Cb 0.49 0.12 -0.16 0.00 -1.55 0.00 0.00 70.33 69.23 1wbd n THR 56 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1wbd s LYS 57 N -2.35 1.32 -0.40 1.09 1.02 -1.26 -0.53 119.74 118.63 1wbd s LYS 57 Ca 0.01 -0.39 -0.17 0.00 0.02 0.00 0.00 55.97 55.44 1wbd s LYS 57 Cb 0.00 -1.17 0.01 0.00 -0.52 0.00 0.00 37.83 36.16 1wbd s LYS 57 CO 0.01 0.11 0.46 0.50 -0.92 0.00 0.00 175.35 175.51 1wbd s ARG 58 N 0.31 3.27 0.58 1.68 3.52 -0.50 -4.93 118.95 122.88 1wbd s ARG 58 Ca -0.07 -0.57 -0.19 0.00 -0.13 0.00 0.00 55.73 54.78 1wbd s ARG 58 Cb -0.11 -3.92 -0.07 0.00 -1.56 0.00 0.00 34.95 29.30 1wbd s ARG 58 CO 0.02 -0.79 0.82 0.41 -0.81 0.00 0.00 175.30 174.95 1wbd n GLY 59 N 5.03 -0.71 2.96 8.12 0.00 -1.26 -2.66 105.19 116.67 1wbd n GLY 59 Ca -0.07 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1wbd n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbd s ALA 60 N -1.56 0.51 -0.14 4.61 0.00 -1.26 -4.89 121.76 119.03 1wbd s ALA 60 Ca 0.72 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.25 1wbd s ALA 60 Cb -0.44 -0.16 -0.18 0.00 0.00 0.00 0.00 23.12 22.33 1wbd s ALA 60 CO 0.50 0.10 0.50 1.03 0.00 0.00 0.00 175.76 177.90 1wbd h SER 61 N 6.15 0.00 -3.35 0.00 0.87 -1.95 -3.41 113.55 111.86 1wbd h SER 61 Ca -0.30 -0.68 -0.72 0.00 -1.23 0.00 0.00 61.79 58.86 1wbd h SER 61 Cb 1.18 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.84 1wbd h SER 61 CO 0.50 0.93 -0.43 0.00 -0.53 0.00 0.00 176.83 177.30 1wbd s ALA 62 N -2.33 3.34 0.00 6.23 0.00 -1.26 -5.03 121.76 122.71 1wbd s ALA 62 Ca -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 49.34 1wbd s ALA 62 Cb -0.01 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1wbd s ALA 62 CO 0.50 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.83 1wbd n GLY 63 N 4.87 0.58 3.87 0.00 0.00 -1.26 -5.02 105.19 108.23 1wbd n GLY 63 Ca -0.08 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.40 1wbd n GLY 63 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wbd s GLU 64 N -0.28 3.83 0.63 1.61 -1.05 -1.26 -4.83 118.70 117.34 1wbd s GLU 64 Ca 0.00 0.50 -0.17 0.00 -0.15 0.00 0.00 54.97 55.15 1wbd s GLU 64 Cb 0.00 -2.41 -0.02 0.00 -0.44 0.00 0.00 34.13 31.26 1wbd s GLU 64 CO 0.00 0.02 1.15 -2.14 0.95 0.00 0.00 175.26 175.25 1wbd s PRO 65 N -3.61 2.87 -0.28 -4.83 0.02 -1.26 -4.73 135.00 123.18 1wbd s PRO 65 Ca 0.52 1.61 -0.11 0.00 0.02 0.00 0.00 61.00 63.04 1wbd s PRO 65 Cb -0.10 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1wbd s PRO 65 CO 0.28 -1.24 0.20 0.42 -0.33 0.00 0.00 177.00 176.33 1wbd s ILE 66 N -1.96 5.31 0.38 2.83 1.01 -1.09 -4.95 121.20 122.73 1wbd s ILE 66 Ca 0.72 0.19 -0.27 0.00 0.00 0.00 0.00 60.65 61.29 1wbd s ILE 66 Cb -0.25 -3.54 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 1wbd s ILE 66 CO 0.36 0.25 1.29 -2.65 0.00 0.00 0.00 174.94 174.19 1wbd n PRO 67 N 5.01 2.07 -3.79 2.79 -0.02 -1.26 -1.41 135.00 138.39 1wbd n PRO 67 Ca -0.14 0.73 -0.13 0.00 -2.02 0.00 0.00 63.50 61.94 1wbd n PRO 67 Cb 0.52 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 1wbd n PRO 67 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1wbd s MET 68 N -2.02 0.30 0.14 -0.52 1.75 0.31 -1.68 119.30 117.58 1wbd s MET 68 Ca 0.58 0.31 -0.13 0.00 -1.25 0.00 0.00 55.69 55.20 1wbd s MET 68 Cb -0.54 0.15 0.02 0.00 2.84 0.00 0.00 34.83 37.29 1wbd s MET 68 CO 0.61 -0.04 0.34 0.00 -0.65 0.00 0.00 175.02 175.28 1wbd s ALA 69 N 0.05 -0.55 0.02 4.11 0.00 -1.01 -0.07 121.76 124.32 1wbd s ALA 69 Ca -0.01 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 1wbd s ALA 69 Cb -0.02 0.71 0.10 0.00 0.00 0.00 0.00 23.12 23.90 1wbd s ALA 69 CO 0.00 -0.64 1.09 0.20 0.00 0.00 0.00 175.76 176.41 1wbd s GLY 70 N -2.87 -0.34 0.02 0.00 0.00 -1.26 -0.41 107.32 102.46 1wbd s GLY 70 Ca 0.08 0.66 -0.00 0.00 0.00 0.00 0.00 44.72 45.45 1wbd s GLY 70 CO -0.08 0.17 -0.02 -0.26 0.00 0.00 0.00 173.10 172.91 1wbd s ILE 71 N -2.86 0.10 0.56 0.90 -4.36 -0.62 -4.93 121.20 109.99 1wbd s ILE 71 Ca 0.11 -0.85 -0.20 0.00 -0.26 0.00 0.00 60.65 59.45 1wbd s ILE 71 Cb 0.01 -0.25 -0.05 0.00 1.25 0.00 0.00 42.46 43.42 1wbd s ILE 71 CO -0.03 -0.47 1.21 -2.84 0.24 0.00 0.00 174.94 173.06 1wbd s PRO 72 N -1.37 3.18 0.30 0.37 0.02 -1.26 -1.06 135.00 135.17 1wbd s PRO 72 Ca -0.15 1.85 -0.02 0.00 0.02 0.00 0.00 61.00 62.70 1wbd s PRO 72 Cb -0.09 -2.06 0.46 0.00 0.02 0.00 0.00 34.50 32.83 1wbd s PRO 72 CO -0.01 -1.05 1.97 0.10 -0.33 0.00 0.00 177.00 177.68 1wbd h TYR 73 N 1.20 1.01 0.00 6.54 -0.00 -0.49 -1.56 116.97 123.67 1wbd h TYR 73 Ca -0.50 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 1wbd h TYR 73 Cb 1.29 -0.34 0.00 0.00 -0.00 0.00 0.00 36.73 37.67 1wbd h TYR 73 CO 0.48 0.64 0.00 1.12 -0.00 0.00 0.00 178.16 180.40 1wbd h HIS 74 N 1.09 0.00 -0.47 0.10 2.07 -1.90 -2.57 115.15 113.47 1wbd h HIS 74 Ca 0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 1wbd h HIS 74 Cb -0.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.86 1wbd h HIS 74 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1wbd n ALA 75 N -1.98 2.43 -0.25 6.11 0.00 -0.59 -4.72 120.51 121.52 1wbd n ALA 75 Ca -0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 1wbd n ALA 75 Cb 0.19 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 18.74 1wbd n ALA 75 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1wbd h VAL 76 N 3.62 1.19 -0.19 0.00 3.04 -1.54 -3.09 116.25 119.27 1wbd h VAL 76 Ca 0.00 -0.39 -0.06 0.00 -1.01 0.00 0.00 66.70 65.23 1wbd h VAL 76 Cb 0.81 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.29 1wbd h VAL 76 CO 0.00 0.19 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.26 1wbd h GLU 77 N 0.94 0.32 -0.72 4.17 4.39 -1.85 0.24 114.58 122.07 1wbd h GLU 77 Ca 0.25 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 1wbd h GLU 77 Cb -0.06 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1wbd h GLU 77 CO -0.05 0.49 0.29 -0.91 -1.16 0.00 0.00 179.01 177.67 1wbd h ASN 78 N 0.30 0.99 -0.13 1.42 2.35 -1.91 -1.81 115.58 116.78 1wbd h ASN 78 Ca 0.06 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1wbd h ASN 78 Cb 0.48 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1wbd h ASN 78 CO 0.03 0.89 -0.18 1.88 -1.65 0.00 0.00 177.43 178.40 1wbd h TYR 79 N 1.02 0.42 -0.97 1.19 0.05 -1.42 -2.72 116.97 114.55 1wbd h TYR 79 Ca 0.24 -0.14 0.23 0.00 0.05 0.00 0.00 58.73 59.11 1wbd h TYR 79 Cb 0.20 -0.08 -0.08 0.00 1.01 0.00 0.00 36.73 37.78 1wbd h TYR 79 CO 0.02 0.79 0.63 -0.07 -1.05 0.00 0.00 178.16 178.48 1wbd h LEU 80 N -0.06 0.43 -0.21 3.88 3.38 -0.96 -2.12 115.31 119.65 1wbd h LEU 80 Ca 0.01 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1wbd h LEU 80 Cb 0.74 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wbd h LEU 80 CO 0.04 0.14 -0.20 0.00 0.09 0.00 0.00 178.44 178.51 1wbd h ALA 81 N 1.61 0.31 -0.81 1.53 0.00 -1.13 -1.64 119.26 119.13 1wbd h ALA 81 Ca 0.52 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1wbd h ALA 81 Cb 1.31 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1wbd h ALA 81 CO -0.22 0.24 0.53 0.87 0.00 0.00 0.00 179.25 180.67 1wbd h LYS 82 N 0.19 0.77 0.00 0.00 1.57 -1.10 -2.25 116.57 115.76 1wbd h LYS 82 Ca 0.04 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1wbd h LYS 82 Cb 0.74 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1wbd h LYS 82 CO 0.05 0.51 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.10 1wbd h LEU 83 N 0.79 0.22 -1.15 2.94 3.38 -1.28 -3.28 115.31 116.95 1wbd h LEU 83 Ca 0.37 -0.80 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1wbd h LEU 83 Cb 0.38 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1wbd h LEU 83 CO -0.14 0.99 -0.34 1.62 0.09 0.00 0.00 178.44 180.67 1wbd h VAL 84 N -0.52 0.91 0.00 1.22 3.04 -1.21 -1.49 116.25 118.21 1wbd h VAL 84 Ca -0.03 -1.33 -0.03 0.00 -1.01 0.00 0.00 66.70 64.29 1wbd h VAL 84 Cb 1.04 1.80 -0.00 0.00 -2.01 0.00 0.00 31.29 32.11 1wbd h VAL 84 CO 0.05 0.33 -0.15 0.78 -1.01 0.00 0.00 177.57 177.57 1wbd h ASN 85 N 0.00 0.00 -0.49 3.17 4.21 -1.50 -2.10 115.58 118.87 1wbd h ASN 85 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1wbd h ASN 85 Cb 0.77 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 1wbd h ASN 85 CO 0.04 0.15 0.00 0.00 -1.29 0.00 0.00 177.43 176.33 1wbd n GLN 86 N -3.68 2.27 -1.01 0.81 6.02 -0.78 -4.94 117.38 116.07 1wbd n GLN 86 Ca -0.02 -1.96 -0.01 0.00 -0.01 0.00 0.00 57.00 55.00 1wbd n GLN 86 Cb 0.27 -1.45 -0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 1.39 0.46 3.77 1.08 0.00 -0.79 -5.01 105.19 106.08 1wbd n GLY 87 Ca 0.19 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.34 4.41 0.38 1.61 0.41 -0.63 -4.76 118.70 118.78 1wbd s GLU 88 Ca 0.00 0.93 -0.05 0.00 -0.41 0.00 0.00 54.97 55.44 1wbd s GLU 88 Cb 0.00 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 1wbd s GLU 88 CO 0.00 0.41 0.66 -1.12 -0.49 0.00 0.00 175.26 174.73 1wbd s SER 89 N -0.45 6.36 -0.18 -0.19 0.01 -1.26 -3.91 113.70 114.09 1wbd s SER 89 Ca 0.34 0.78 -0.05 0.00 1.31 0.00 0.00 55.95 58.34 1wbd s SER 89 Cb -0.20 -2.18 0.09 0.00 0.21 0.00 0.00 66.02 63.94 1wbd s SER 89 CO 0.21 -0.38 0.30 -0.69 0.41 0.00 0.00 173.24 173.09 1wbd s VAL 90 N -2.40 -0.47 -0.01 3.43 1.01 -0.42 -3.60 120.40 117.95 1wbd s VAL 90 Ca 0.45 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 1wbd s VAL 90 Cb -0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1wbd s VAL 90 CO 0.37 -0.00 1.23 0.00 0.00 0.00 0.00 175.10 176.69 1wbd s ALA 91 N 2.45 3.47 -0.33 5.51 0.00 0.04 -1.41 121.76 131.50 1wbd s ALA 91 Ca 0.04 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 1wbd s ALA 91 Cb -0.13 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1wbd s ALA 91 CO -0.11 -0.67 0.36 0.42 0.00 0.00 0.00 175.76 175.76 1wbd s ILE 92 N 1.84 5.17 -0.20 0.00 -1.09 -0.08 -0.91 121.20 125.93 1wbd s ILE 92 Ca 0.58 0.13 -0.06 0.00 -2.23 0.00 0.00 60.65 59.07 1wbd s ILE 92 Cb -0.27 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1wbd s ILE 92 CO 0.25 -0.05 0.03 0.00 -1.23 0.00 0.00 174.94 173.94 1wbd s GLU 94 N 0.80 2.08 -0.13 0.00 0.41 -0.12 -2.04 118.70 119.70 1wbd s GLU 94 Ca 0.02 -1.83 -0.22 0.00 -0.41 0.00 0.00 54.97 52.54 1wbd s GLU 94 Cb -0.14 -1.89 -0.03 0.00 -1.78 0.00 0.00 34.13 30.29 1wbd s GLU 94 CO 0.02 0.06 0.65 -0.65 -0.49 0.00 0.00 175.26 174.86 1wbd s GLN 95 N -3.75 4.33 -0.22 1.61 -0.21 -1.26 -1.74 119.66 118.42 1wbd s GLN 95 Ca 0.36 0.74 -0.12 0.00 0.02 0.00 0.00 55.36 56.36 1wbd s GLN 95 Cb 0.02 -3.50 -0.18 0.00 1.00 0.00 0.00 33.01 30.35 1wbd s GLN 95 CO 0.20 -0.06 0.01 -0.89 -2.12 0.00 0.00 175.29 172.43 1wbd n ILE 96 N 4.16 1.58 -2.12 1.08 2.08 -0.01 -4.97 119.36 121.16 1wbd n ILE 96 Ca -0.02 -0.37 -0.28 0.00 0.56 0.00 0.00 62.75 62.64 1wbd n ILE 96 Cb 0.51 -1.82 0.18 0.00 -0.75 0.00 0.00 39.64 37.76 1wbd n ILE 96 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1wbd s GLY 97 N -5.50 1.80 -0.27 7.39 0.00 -1.23 -5.00 107.32 104.51 1wbd s GLY 97 Ca -0.31 -1.46 -0.19 0.00 0.00 0.00 0.00 44.72 42.76 1wbd s GLY 97 CO 0.61 -0.69 0.56 -0.35 0.00 0.00 0.00 173.10 173.22 1wbd s ASP 98 N -4.91 6.47 0.40 1.64 2.15 -1.26 -4.85 116.67 116.30 1wbd s ASP 98 Ca 0.74 0.54 0.15 0.00 0.43 0.00 0.00 52.55 54.41 1wbd s ASP 98 Cb -0.03 -2.30 1.00 0.00 -0.30 0.00 0.00 42.92 41.29 1wbd s ASP 98 CO 0.52 -0.33 1.85 -0.65 -0.17 0.00 0.00 175.17 176.38 1wbd h PRO 99 N 8.02 0.48 0.00 4.34 0.11 -1.97 -2.52 132.00 140.45 1wbd h PRO 99 Ca -0.28 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1wbd h PRO 99 Cb 1.13 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1wbd h PRO 99 CO 0.74 0.32 -0.11 0.00 -0.21 0.00 0.00 178.00 178.73 1wbd h ALA 100 N 1.61 1.05 -0.27 -0.75 0.00 -1.99 -3.01 119.26 115.90 1wbd h ALA 100 Ca 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1wbd h ALA 100 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1wbd h ALA 100 CO -0.20 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.44 1wbd n THR 101 N -3.29 0.64 -4.07 0.00 -2.24 -0.97 -4.95 114.28 99.40 1wbd n THR 101 Ca -0.00 -0.82 -0.35 0.00 -2.27 0.00 0.00 64.05 60.61 1wbd n THR 101 Cb 0.34 0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 1wbd n THR 101 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wbd s SER 102 N -1.03 5.37 -0.06 3.42 0.01 -1.07 -5.02 113.70 115.33 1wbd s SER 102 Ca 0.23 -0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.39 1wbd s SER 102 Cb 0.13 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.39 1wbd s SER 102 CO 0.18 0.15 0.40 0.50 0.41 0.00 0.00 173.24 174.88 1wbd h LYS 103 N 6.89 -0.33 0.00 12.44 3.64 -1.92 -3.46 116.57 133.83 1wbd h LYS 103 Ca -0.36 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1wbd h LYS 103 Cb 1.17 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1wbd h LYS 103 CO 0.67 -0.22 0.00 0.41 -2.27 0.00 0.00 179.45 178.04 1wbd n GLY 104 N 0.89 -0.49 3.75 5.01 0.00 -1.26 -5.00 105.19 108.09 1wbd n GLY 104 Ca -0.04 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1wbd n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wbd n PRO 105 N 0.00 2.73 -1.60 1.61 -0.02 -1.26 -4.96 135.00 131.49 1wbd n PRO 105 Ca 0.00 0.97 -0.39 0.00 -2.02 0.00 0.00 63.50 62.06 1wbd n PRO 105 Cb 0.00 -2.75 0.04 0.00 -0.02 0.00 0.00 33.50 30.77 1wbd n PRO 105 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1wbd n VAL 106 N 1.83 3.20 -1.74 -1.45 3.14 -1.26 -4.91 118.33 117.14 1wbd n VAL 106 Ca 0.07 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.53 1wbd n VAL 106 Cb 0.37 -1.13 -0.01 0.00 -1.06 0.00 0.00 33.84 32.01 1wbd n VAL 106 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1wbd n GLU 107 N -0.59 2.56 -4.58 1.45 2.13 -1.26 -4.91 120.64 115.45 1wbd n GLU 107 Ca 0.12 0.91 -0.22 0.00 0.66 0.00 0.00 57.16 58.63 1wbd n GLU 107 Cb 0.45 -2.65 -0.15 0.00 0.27 0.00 0.00 31.44 29.36 1wbd n GLU 107 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1wbd s ARG 108 N -0.86 1.08 0.03 5.31 0.52 -1.26 -0.83 118.95 122.93 1wbd s ARG 108 Ca 0.62 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 1wbd s ARG 108 Cb -0.52 -1.03 -0.02 0.00 0.52 0.00 0.00 34.95 33.90 1wbd s ARG 108 CO 0.52 0.26 -0.08 0.15 0.02 0.00 0.00 175.30 176.17 1wbd s LYS 109 N -0.23 0.54 -0.25 3.54 1.02 -0.71 -4.95 119.74 118.71 1wbd s LYS 109 Ca 0.04 -0.66 -0.29 0.00 0.02 0.00 0.00 55.97 55.08 1wbd s LYS 109 Cb -0.06 -0.38 0.01 0.00 -0.52 0.00 0.00 37.83 36.88 1wbd s LYS 109 CO -0.00 0.08 1.09 0.08 -0.92 0.00 0.00 175.35 175.68 1wbd s VAL 110 N -1.10 4.55 -0.17 3.17 1.01 -1.26 -0.94 120.40 125.66 1wbd s VAL 110 Ca -0.07 1.85 0.15 0.00 0.00 0.00 0.00 61.98 63.92 1wbd s VAL 110 Cb -0.08 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 1wbd s VAL 110 CO 0.00 -0.27 0.18 1.33 0.00 0.00 0.00 175.10 176.35 1wbd n VAL 111 N 5.51 1.45 -3.86 2.92 0.24 -0.49 -4.97 118.33 119.14 1wbd n VAL 111 Ca 0.12 -0.82 -0.09 0.00 -2.04 0.00 0.00 64.34 61.51 1wbd n VAL 111 Cb 0.46 -0.67 -0.06 0.00 -1.47 0.00 0.00 33.84 32.10 1wbd n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wbd s ARG 112 N -2.52 1.12 -0.10 7.34 1.70 -1.23 -4.40 118.95 120.87 1wbd s ARG 112 Ca -0.11 -1.02 0.02 0.00 -0.47 0.00 0.00 55.73 54.15 1wbd s ARG 112 Cb 0.07 0.41 0.02 0.00 -0.57 0.00 0.00 34.95 34.87 1wbd s ARG 112 CO 0.81 -0.42 -0.14 0.42 -1.08 0.00 0.00 175.30 174.90 1wbd s ILE 113 N -3.91 1.35 -0.20 4.99 1.01 0.24 -0.90 121.20 123.77 1wbd s ILE 113 Ca 0.11 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 1wbd s ILE 113 Cb 0.03 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1wbd s ILE 113 CO -0.04 0.41 0.52 -0.69 0.00 0.00 0.00 174.94 175.14 1wbd s VAL 114 N 0.98 5.10 0.10 2.92 1.01 -0.50 -4.67 120.40 125.35 1wbd s VAL 114 Ca -0.08 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.86 1wbd s VAL 114 Cb -0.15 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1wbd s VAL 114 CO -0.01 0.17 -0.03 0.42 0.00 0.00 0.00 175.10 175.66 1wbd s THR 115 N 1.66 0.48 0.54 3.92 -4.23 -1.26 -1.30 115.64 115.45 1wbd s THR 115 Ca 0.24 -1.91 0.33 0.00 -1.18 0.00 0.00 61.69 59.17 1wbd s THR 115 Cb -0.15 -1.77 0.36 0.00 1.34 0.00 0.00 72.50 72.28 1wbd s THR 115 CO 0.10 -0.78 2.22 -0.65 -0.54 0.00 0.00 174.62 174.97 1wbd h PRO 116 N 2.95 0.00 -0.17 3.99 0.11 -1.86 -2.52 132.00 134.50 1wbd h PRO 116 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1wbd h PRO 116 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wbd h PRO 116 CO 0.64 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 1wbd n GLY 117 N -1.02 2.01 0.21 -0.55 0.00 -1.26 -4.48 105.19 100.10 1wbd n GLY 117 Ca -0.02 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 0.21 1.33 -2.79 2.61 -2.24 -0.95 -3.72 114.28 108.72 1wbd n THR 118 Ca 0.07 -1.38 -0.34 0.00 -2.27 0.00 0.00 64.05 60.12 1wbd n THR 118 Cb 0.32 0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.61 4.30 0.00 2.28 -4.36 -1.19 -4.82 121.20 115.81 1wbd s ILE 119 Ca 0.15 1.55 0.00 0.00 -0.26 0.00 0.00 60.65 62.09 1wbd s ILE 119 Cb 0.12 -3.69 0.00 0.00 1.25 0.00 0.00 42.46 40.14 1wbd s ILE 119 CO 0.04 -0.20 0.11 -1.54 0.24 0.00 0.00 174.94 173.59 1wbd n SER 120 N -0.37 0.21 -4.79 4.36 3.41 -1.26 -4.65 113.62 110.54 1wbd n SER 120 Ca 0.06 -0.78 -0.38 0.00 -0.26 0.00 0.00 58.87 57.51 1wbd n SER 120 Cb 0.53 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.07 7.31 0.43 4.04 1.01 -1.26 -4.82 116.67 123.31 1wbd s ASP 121 Ca 0.00 1.70 0.11 0.00 0.71 0.00 0.00 52.55 55.07 1wbd s ASP 121 Cb 0.00 -2.52 0.94 0.00 1.01 0.00 0.00 42.92 42.34 1wbd s ASP 121 CO 0.00 0.04 2.01 -0.08 0.21 0.00 0.00 175.17 177.35 1wbd h GLU 122 N 3.58 0.23 0.00 8.23 4.81 -1.98 -2.52 114.58 126.93 1wbd h GLU 122 Ca -0.47 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 1wbd h GLU 122 Cb 1.20 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1wbd h GLU 122 CO 0.66 0.27 -0.35 0.00 -0.73 0.00 0.00 179.01 178.85 1wbd h ALA 123 N 1.77 1.33 -0.01 2.92 0.00 -2.02 -3.24 119.26 120.02 1wbd h ALA 123 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wbd h ALA 123 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wbd h ALA 123 CO 0.00 0.44 -0.42 1.28 0.00 0.00 0.00 179.25 180.55 1wbd n LEU 124 N -3.99 1.40 -4.68 0.00 4.77 -0.95 -4.96 117.00 108.58 1wbd n LEU 124 Ca -0.02 -0.46 -0.23 0.00 -0.03 0.00 0.00 56.01 55.27 1wbd n LEU 124 Cb 0.40 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1wbd n LEU 124 CO 0.38 0.27 -0.30 -0.76 -1.33 0.00 0.00 177.39 175.65 1wbd s LEU 125 N -2.56 3.32 -0.11 2.23 1.43 -1.21 -5.02 118.68 116.75 1wbd s LEU 125 Ca 0.20 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.57 1wbd s LEU 125 Cb 0.18 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1wbd s LEU 125 CO 0.58 -0.00 0.46 -1.10 0.23 0.00 0.00 176.35 176.52 1wbd s GLN 126 N -3.67 4.32 0.20 1.70 -1.52 -1.26 -4.99 119.66 114.44 1wbd s GLN 126 Ca 0.31 0.43 -0.10 0.00 -1.95 0.00 0.00 55.36 54.05 1wbd s GLN 126 Cb -0.07 -3.43 0.26 0.00 -0.22 0.00 0.00 33.01 29.55 1wbd s GLN 126 CO 0.21 0.19 1.74 0.93 -0.25 0.00 0.00 175.29 178.10 1wbd h GLU 127 N 6.62 0.35 -0.55 2.91 5.08 -1.98 -3.11 114.58 123.90 1wbd h GLU 127 Ca -0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1wbd h GLU 127 Cb 1.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1wbd h GLU 127 CO 0.75 0.23 0.00 0.54 -1.00 0.00 0.00 179.01 179.53 1wbd n ARG 128 N -5.02 3.42 -4.14 2.33 1.74 -1.26 -4.68 116.66 109.04 1wbd n ARG 128 Ca 0.08 -2.73 -0.19 0.00 -0.77 0.00 0.00 57.85 54.24 1wbd n ARG 128 Cb 0.27 -1.76 -0.16 0.00 -1.02 0.00 0.00 32.46 29.79 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 -1.77 0.74 0.76 5.56 -0.21 -1.18 -4.38 119.66 119.19 1wbd s GLN 129 Ca 0.45 -0.08 -0.14 0.00 0.02 0.00 0.00 55.36 55.61 1wbd s GLN 129 Cb 0.29 -0.77 0.06 0.00 1.00 0.00 0.00 33.01 33.59 1wbd s GLN 129 CO 0.22 -0.08 1.19 -0.51 -2.12 0.00 0.00 175.29 173.99 1wbd s ASP 130 N 0.89 4.03 -0.25 5.90 1.01 -1.26 -4.60 116.67 122.40 1wbd s ASP 130 Ca -0.12 2.30 -0.04 0.00 0.71 0.00 0.00 52.55 55.40 1wbd s ASP 130 Cb -0.14 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.29 1wbd s ASP 130 CO 0.00 -2.37 0.11 0.21 0.21 0.00 0.00 175.17 173.33 1wbd s ASN 131 N -2.21 3.21 0.01 0.27 2.47 -1.26 -4.98 114.94 112.45 1wbd s ASN 131 Ca 0.72 -1.10 0.04 0.00 0.42 0.00 0.00 52.86 52.94 1wbd s ASN 131 Cb -0.27 -0.38 -0.03 0.00 -1.45 0.00 0.00 41.25 39.12 1wbd s ASN 131 CO 0.48 -0.41 -0.08 -0.76 -3.72 0.00 0.00 177.10 172.61 1wbd s LEU 132 N 2.06 3.09 -0.12 3.21 1.43 -1.26 -4.60 118.68 122.49 1wbd s LEU 132 Ca 0.07 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 1wbd s LEU 132 Cb -0.16 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1wbd s LEU 132 CO -0.27 0.28 0.29 -0.22 0.23 0.00 0.00 176.35 176.66 1wbd s LEU 133 N -1.42 4.32 0.19 1.79 2.96 0.25 -1.50 118.68 125.27 1wbd s LEU 133 Ca 0.17 0.60 0.09 0.00 -0.22 0.00 0.00 54.13 54.76 1wbd s LEU 133 Cb -0.11 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1wbd s LEU 133 CO 0.07 0.20 -0.17 0.00 -1.32 0.00 0.00 176.35 175.13 1wbd s ALA 134 N -0.11 2.12 0.06 5.97 0.00 -0.24 -0.02 121.76 129.53 1wbd s ALA 134 Ca 0.18 -1.60 0.07 0.00 0.00 0.00 0.00 51.96 50.60 1wbd s ALA 134 Cb -0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1wbd s ALA 134 CO 0.06 0.19 -0.19 0.00 0.00 0.00 0.00 175.76 175.81 1wbd s ALA 135 N -2.42 1.62 0.01 0.00 0.00 -0.88 -0.12 121.76 119.96 1wbd s ALA 135 Ca 0.20 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1wbd s ALA 135 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1wbd s ALA 135 CO 0.08 0.33 -0.01 -1.50 0.00 0.00 0.00 175.76 174.66 1wbd s ILE 136 N -0.97 0.07 0.18 0.00 2.07 0.62 -1.78 121.20 121.38 1wbd s ILE 136 Ca 0.05 -0.31 -0.11 0.00 -1.41 0.00 0.00 60.65 58.87 1wbd s ILE 136 Cb -0.09 -0.12 0.00 0.00 0.13 0.00 0.00 42.46 42.38 1wbd s ILE 136 CO 0.03 -0.15 0.36 -1.66 -1.91 0.00 0.00 174.94 171.61 1wbd s TRP 137 N -0.47 0.25 -0.03 3.50 1.48 -0.77 -2.90 118.94 120.00 1wbd s TRP 137 Ca -0.05 -0.61 0.03 0.00 -1.06 0.00 0.00 56.10 54.41 1wbd s TRP 137 Cb -0.03 0.08 0.01 0.00 -1.16 0.00 0.00 33.47 32.36 1wbd s TRP 137 CO -0.00 -0.78 -0.10 -1.14 -4.06 0.00 0.00 176.95 170.86 1wbd s GLN 138 N -3.94 1.14 0.47 3.25 0.74 -1.26 -1.61 119.66 118.45 1wbd s GLN 138 Ca 0.15 -0.33 0.08 0.00 0.05 0.00 0.00 55.36 55.30 1wbd s GLN 138 Cb 0.02 -1.03 0.08 0.00 1.10 0.00 0.00 33.01 33.17 1wbd s GLN 138 CO -0.01 0.10 0.65 -0.25 -0.55 0.00 0.00 175.29 175.23 1wbd n ASP 139 N 3.42 1.68 0.00 6.67 8.00 0.94 -4.94 116.55 132.33 1wbd n ASP 139 Ca -0.20 -2.23 0.09 0.00 0.71 0.00 0.00 54.79 53.17 1wbd n ASP 139 Cb 0.53 -0.35 0.42 0.00 -0.02 0.00 0.00 41.12 41.70 1wbd n ASP 139 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wbd n SER 140 N -2.47 0.02 -0.01 -2.24 7.64 -1.26 -3.93 113.62 111.36 1wbd n SER 140 Ca 0.13 0.50 -0.01 0.00 1.01 0.00 0.00 58.87 60.50 1wbd n SER 140 Cb 0.48 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 1wbd n SER 140 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wbd n LYS 141 N -1.52 3.32 -1.38 1.43 4.01 -1.26 -5.12 118.16 117.64 1wbd n LYS 141 Ca 0.05 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1wbd n LYS 141 Cb 0.23 -1.08 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 1wbd n LYS 141 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wbd n GLY 142 N 2.78 -0.68 3.29 0.72 0.00 -1.25 -4.77 105.19 105.28 1wbd n GLY 142 Ca -0.05 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.56 2.01 0.01 1.61 0.08 -1.02 -0.04 117.98 117.08 1wbd s PHE 143 Ca 0.00 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 1wbd s PHE 143 Cb 0.00 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 1wbd s PHE 143 CO 0.00 0.11 0.15 0.20 -0.10 0.00 0.00 175.22 175.58 1wbd s GLY 144 N -1.25 2.12 -0.18 4.36 0.00 -0.63 -3.22 107.32 108.52 1wbd s GLY 144 Ca 0.09 -0.83 -0.15 0.00 0.00 0.00 0.00 44.72 43.83 1wbd s GLY 144 CO 0.02 -0.74 0.46 -0.47 0.00 0.00 0.00 173.10 172.37 1wbd s TYR 145 N -1.32 -0.54 0.02 1.90 5.04 -0.89 -1.85 117.35 119.72 1wbd s TYR 145 Ca 0.27 1.27 -0.01 0.00 -2.44 0.00 0.00 57.07 56.17 1wbd s TYR 145 Cb -0.12 0.20 -0.02 0.00 0.35 0.00 0.00 41.96 42.36 1wbd s TYR 145 CO 0.19 -0.27 -0.01 0.00 -1.34 0.00 0.00 175.55 174.12 1wbd s ALA 146 N 0.44 0.13 0.06 3.97 0.00 -0.74 -1.08 121.76 124.54 1wbd s ALA 146 Ca -0.02 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1wbd s ALA 146 Cb -0.04 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1wbd s ALA 146 CO -0.02 -0.20 -0.12 0.95 0.00 0.00 0.00 175.76 176.37 1wbd s THR 147 N -1.81 0.94 -0.04 0.00 -4.23 -0.57 -2.08 115.64 107.85 1wbd s THR 147 Ca -0.13 -1.20 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1wbd s THR 147 Cb -0.07 -0.92 0.03 0.00 1.34 0.00 0.00 72.50 72.88 1wbd s THR 147 CO -0.02 -0.25 0.06 -0.22 -0.54 0.00 0.00 174.62 173.66 1wbd s LEU 148 N -1.62 0.81 -0.58 4.79 2.96 0.97 -1.64 118.68 124.37 1wbd s LEU 148 Ca -0.04 0.11 -0.13 0.00 -0.22 0.00 0.00 54.13 53.85 1wbd s LEU 148 Cb -0.10 0.02 0.15 0.00 0.50 0.00 0.00 46.19 46.76 1wbd s LEU 148 CO 0.02 -0.16 0.50 -0.62 -1.32 0.00 0.00 176.35 174.77 1wbd s ASP 149 N 1.31 6.11 0.61 3.68 2.15 -0.82 -0.59 116.67 129.13 1wbd s ASP 149 Ca -0.06 -2.05 0.36 0.00 0.43 0.00 0.00 52.55 51.23 1wbd s ASP 149 Cb -0.13 -2.14 1.99 0.00 -0.30 0.00 0.00 42.92 42.35 1wbd s ASP 149 CO -0.04 -0.74 2.26 -0.29 -0.17 0.00 0.00 175.17 176.20 1wbd h ILE 150 N 5.72 0.28 -0.69 4.11 2.10 -1.83 0.40 117.51 127.62 1wbd h ILE 150 Ca -0.19 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1wbd h ILE 150 Cb 1.07 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 1wbd h ILE 150 CO 0.92 0.02 0.00 -1.54 -1.08 0.00 0.00 178.15 176.47 1wbd n SER 151 N -3.45 4.43 0.00 2.19 3.41 -1.26 -4.07 113.62 114.87 1wbd n SER 151 Ca -0.03 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1wbd n SER 151 Cb 0.12 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1wbd n SER 151 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wbd n SER 152 N 1.35 0.00 0.00 4.04 3.41 -0.81 -3.99 113.62 117.62 1wbd n SER 152 Ca 0.25 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1wbd n SER 152 Cb 0.78 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1wbd n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wbd n GLY 153 N 0.00 0.90 3.64 5.00 0.00 0.14 -4.94 105.19 109.92 1wbd n GLY 153 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.09 3.94 -0.14 1.61 3.52 -1.21 -4.59 118.95 121.98 1wbd s ARG 154 Ca 0.00 1.73 -0.01 0.00 -0.13 0.00 0.00 55.73 57.32 1wbd s ARG 154 Cb 0.00 -3.98 0.03 0.00 -1.56 0.00 0.00 34.95 29.45 1wbd s ARG 154 CO 0.00 -1.12 -0.05 0.12 -0.81 0.00 0.00 175.30 173.44 1wbd s PHE 155 N 4.69 1.49 0.17 5.12 5.36 -1.26 -1.93 117.98 131.61 1wbd s PHE 155 Ca 0.68 -0.86 0.06 0.00 -0.96 0.00 0.00 56.93 55.86 1wbd s PHE 155 Cb -0.25 -1.22 -0.04 0.00 -0.34 0.00 0.00 43.02 41.16 1wbd s PHE 155 CO 0.27 -0.55 -0.13 1.03 -1.46 0.00 0.00 175.22 174.38 1wbd s ARG 156 N 1.71 1.17 -0.06 10.12 1.81 -0.65 -2.14 118.95 130.91 1wbd s ARG 156 Ca 0.03 -1.46 -0.04 0.00 -1.72 0.00 0.00 55.73 52.54 1wbd s ARG 156 Cb -0.14 -0.91 0.02 0.00 -0.45 0.00 0.00 34.95 33.48 1wbd s ARG 156 CO -0.08 0.15 0.13 -1.17 -0.68 0.00 0.00 175.30 173.65 1wbd s LEU 157 N -3.07 1.15 0.22 2.53 0.20 -0.08 -1.52 118.68 118.11 1wbd s LEU 157 Ca 0.17 0.27 -0.01 0.00 0.69 0.00 0.00 54.13 55.26 1wbd s LEU 157 Cb -0.01 0.40 -0.04 0.00 -0.43 0.00 0.00 46.19 46.11 1wbd s LEU 157 CO 0.04 -0.09 0.18 -0.94 -0.29 0.00 0.00 176.35 175.25 1wbd s SER 158 N 0.58 0.31 -0.41 3.68 1.04 -0.24 -0.48 113.70 118.18 1wbd s SER 158 Ca -0.04 -1.39 0.07 0.00 0.48 0.00 0.00 55.95 55.06 1wbd s SER 158 Cb -0.06 0.42 0.22 0.00 0.10 0.00 0.00 66.02 66.71 1wbd s SER 158 CO -0.03 -0.90 0.47 -0.62 0.98 0.00 0.00 173.24 173.15 1wbd n GLU 159 N -0.32 0.64 -1.71 4.02 1.02 -1.26 -2.10 120.64 120.93 1wbd n GLU 159 Ca 0.02 -3.28 -0.42 0.00 -0.02 0.00 0.00 57.16 53.46 1wbd n GLU 159 Cb 0.65 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 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 1.83 2.77 0.18 3.49 -0.02 -1.20 -4.79 135.00 137.26 1wbd n PRO 160 Ca 0.24 1.00 0.05 0.00 -2.02 0.00 0.00 63.50 62.77 1wbd n PRO 160 Cb 0.51 -2.86 0.25 0.00 -0.02 0.00 0.00 33.50 31.38 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 7.12 0.89 -2.88 3.55 0.00 -1.92 -2.69 119.26 123.32 1wbd h ALA 161 Ca -0.44 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 53.84 1wbd h ALA 161 Cb 1.21 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1wbd h ALA 161 CO 0.95 0.49 -0.26 0.16 0.00 0.00 0.00 179.25 180.60 1wbd s ASP 162 N -6.40 0.84 0.12 0.00 -4.77 -1.26 -4.47 116.67 100.73 1wbd s ASP 162 Ca 0.01 -1.45 -0.31 0.00 -3.30 0.00 0.00 52.55 47.51 1wbd s ASP 162 Cb 0.10 0.62 -0.09 0.00 -1.09 0.00 0.00 42.92 42.46 1wbd s ASP 162 CO 0.70 -1.21 1.58 -0.09 0.70 0.00 0.00 175.17 176.85 1wbd h ARG 163 N 2.17 -0.57 -0.43 2.11 2.43 -1.97 -2.62 114.38 115.51 1wbd h ARG 163 Ca -0.28 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1wbd h ARG 163 Cb 1.24 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 1wbd h ARG 163 CO 0.39 -0.38 0.13 1.49 -1.51 0.00 0.00 179.97 180.09 1wbd h GLU 164 N -0.59 0.62 -0.35 0.20 4.57 -1.99 0.03 114.58 117.07 1wbd h GLU 164 Ca 0.04 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 1wbd h GLU 164 Cb 0.66 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1wbd h GLU 164 CO -0.31 0.55 -0.13 1.15 -1.18 0.00 0.00 179.01 179.09 1wbd h THR 165 N 0.61 1.25 -0.19 0.32 2.02 -1.94 -1.53 112.91 113.45 1wbd h THR 165 Ca 0.14 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 1wbd h THR 165 Cb 0.19 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1wbd h THR 165 CO -0.01 0.37 -0.04 -0.03 0.37 0.00 0.00 175.52 176.18 1wbd h MET 166 N 0.56 0.36 -0.74 6.66 1.85 -0.87 -0.50 114.93 122.24 1wbd h MET 166 Ca 0.10 -0.13 0.14 0.00 -0.61 0.00 0.00 59.70 59.19 1wbd h MET 166 Cb 0.55 -0.02 -0.09 0.00 0.43 0.00 0.00 31.60 32.46 1wbd h MET 166 CO 0.03 0.61 0.27 0.00 -0.40 0.00 0.00 176.91 177.43 1wbd h ALA 167 N 0.74 1.02 -0.58 0.39 0.00 -0.88 -1.77 119.26 118.18 1wbd h ALA 167 Ca 0.05 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1wbd h ALA 167 Cb 0.47 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1wbd h ALA 167 CO 0.02 -0.23 0.13 0.00 0.00 0.00 0.00 179.25 179.17 1wbd h ALA 168 N 1.54 0.76 -0.48 0.00 0.00 -1.11 -2.22 119.26 117.76 1wbd h ALA 168 Ca 0.40 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1wbd h ALA 168 Cb 0.61 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1wbd h ALA 168 CO -0.41 0.48 -0.05 0.93 0.00 0.00 0.00 179.25 180.20 1wbd h GLU 169 N 0.84 0.82 -0.63 0.00 4.39 -0.53 -0.98 114.58 118.48 1wbd h GLU 169 Ca 0.18 -0.25 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 1wbd h GLU 169 Cb 0.37 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1wbd h GLU 169 CO 0.00 0.86 0.04 -0.07 -1.16 0.00 0.00 179.01 178.68 1wbd h LEU 170 N 0.76 1.06 -0.41 1.33 3.38 -1.17 -1.10 115.31 119.16 1wbd h LEU 170 Ca 0.14 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1wbd h LEU 170 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1wbd h LEU 170 CO 0.03 1.09 0.08 -0.61 0.09 0.00 0.00 178.44 179.12 1wbd h GLN 171 N 1.00 0.66 0.31 1.13 4.15 -1.28 0.25 115.11 121.34 1wbd h GLN 171 Ca 0.18 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1wbd h GLN 171 Cb 0.52 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1wbd h GLN 171 CO 0.02 0.69 -0.15 -0.09 -1.93 0.00 0.00 178.83 177.38 1wbd h ARG 172 N 0.52 -0.40 0.13 1.69 2.43 -0.99 -3.32 114.38 114.45 1wbd h ARG 172 Ca 0.13 0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 59.04 1wbd h ARG 172 Cb 0.34 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1wbd h ARG 172 CO 0.00 -0.24 -1.33 1.79 -1.51 0.00 0.00 179.97 178.69 1wbd h THR 173 N -0.46 1.40 -6.10 0.20 1.35 -1.24 -3.48 112.91 104.57 1wbd h THR 173 Ca -0.04 -2.98 -0.40 0.00 -0.55 0.00 0.00 66.41 62.44 1wbd h THR 173 Cb 0.35 2.91 0.10 0.00 -1.73 0.00 0.00 68.15 69.78 1wbd h THR 173 CO 0.07 0.87 -0.92 -3.20 -0.25 0.00 0.00 175.52 172.09 1wbd n ASN 174 N -3.53 -5.17 -4.75 5.36 5.15 0.89 -4.82 115.26 108.39 1wbd n ASN 174 Ca -0.11 -0.96 -0.42 0.00 -0.60 0.00 0.00 54.58 52.50 1wbd n ASN 174 Cb 1.03 -3.70 -0.00 0.00 -0.53 0.00 0.00 39.78 36.58 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 -4.04 2.53 0.23 1.20 -0.04 -1.26 -4.71 135.00 128.90 1wbd n PRO 175 Ca -0.11 0.89 0.12 0.00 -0.04 0.00 0.00 63.50 64.36 1wbd n PRO 175 Cb 0.60 -2.58 0.48 0.00 -0.04 0.00 0.00 33.50 31.95 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 2.98 1.00 -2.67 0.55 0.00 -1.60 -3.45 119.26 116.07 1wbd h ALA 176 Ca -0.49 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 1wbd h ALA 176 Cb 1.25 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.76 1wbd h ALA 176 CO 0.65 0.21 -0.28 -2.00 0.00 0.00 0.00 179.25 177.82 1wbd s GLU 177 N -3.59 0.42 -0.19 0.00 2.12 -1.22 -3.89 118.70 112.34 1wbd s GLU 177 Ca 0.01 0.73 -0.01 0.00 0.36 0.00 0.00 54.97 56.06 1wbd s GLU 177 Cb 0.09 0.05 0.05 0.00 0.26 0.00 0.00 34.13 34.59 1wbd s GLU 177 CO 0.62 -0.13 -0.01 -1.17 -0.54 0.00 0.00 175.26 174.03 1wbd s LEU 178 N 1.06 1.60 -0.08 2.70 0.20 -0.23 -1.08 118.68 122.86 1wbd s LEU 178 Ca -0.07 -0.84 -0.26 0.00 0.69 0.00 0.00 54.13 53.65 1wbd s LEU 178 Cb -0.07 -0.80 -0.03 0.00 -0.43 0.00 0.00 46.19 44.86 1wbd s LEU 178 CO -0.09 -0.26 0.83 -0.76 -0.29 0.00 0.00 176.35 175.78 1wbd s LEU 179 N 1.70 4.29 0.07 -0.68 1.43 0.83 -0.87 118.68 125.44 1wbd s LEU 179 Ca -0.02 1.33 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 1wbd s LEU 179 Cb -0.17 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 1wbd s LEU 179 CO -0.07 -0.25 -0.16 -0.72 0.23 0.00 0.00 176.35 175.37 1wbd s TYR 180 N 1.30 1.42 0.52 0.29 1.13 -0.40 -0.28 117.35 121.34 1wbd s TYR 180 Ca 0.42 -0.41 -0.19 0.00 -1.41 0.00 0.00 57.07 55.48 1wbd s TYR 180 Cb -0.18 -0.81 -0.07 0.00 -1.10 0.00 0.00 41.96 39.80 1wbd s TYR 180 CO 0.19 0.09 1.08 0.00 -2.51 0.00 0.00 175.55 174.40 1wbd s ALA 181 N -1.08 2.78 0.25 9.51 0.00 -1.14 -0.61 121.76 131.45 1wbd s ALA 181 Ca 0.02 0.68 0.23 0.00 0.00 0.00 0.00 51.96 52.89 1wbd s ALA 181 Cb -0.09 -3.30 1.00 0.00 0.00 0.00 0.00 23.12 20.73 1wbd s ALA 181 CO 0.02 -0.57 1.88 1.05 0.00 0.00 0.00 175.76 178.14 1wbd h GLU 182 N 1.28 0.00 -0.70 0.00 4.11 -1.54 -2.38 114.58 115.35 1wbd h GLU 182 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1wbd h GLU 182 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1wbd h GLU 182 CO 0.58 0.24 0.00 -0.40 0.07 0.00 0.00 179.01 179.50 1wbd n ASP 183 N -3.55 3.79 -4.67 3.06 5.75 -1.26 -4.96 116.55 114.70 1wbd n ASP 183 Ca -0.01 -2.51 -0.42 0.00 -0.01 0.00 0.00 54.79 51.84 1wbd n ASP 183 Cb 0.39 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.87 1wbd n ASP 183 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1wbd s PHE 184 N -2.01 1.93 -0.05 2.11 5.36 -0.90 -4.94 117.98 119.48 1wbd s PHE 184 Ca 0.34 -0.01 -0.13 0.00 -0.96 0.00 0.00 56.93 56.17 1wbd s PHE 184 Cb 0.25 -4.08 -0.31 0.00 -0.34 0.00 0.00 43.02 38.54 1wbd s PHE 184 CO 0.11 -4.58 0.70 0.00 -1.46 0.00 0.00 175.22 170.00 1wbd h ALA 185 N 9.30 0.10 -0.97 11.12 0.00 -1.93 -3.41 119.26 133.48 1wbd h ALA 185 Ca -0.45 -1.08 -0.76 0.00 0.00 0.00 0.00 54.91 52.62 1wbd h ALA 185 Cb 1.21 0.41 -0.16 0.00 0.00 0.00 0.00 17.79 19.25 1wbd h ALA 185 CO 0.94 0.92 1.96 0.39 0.00 0.00 0.00 179.25 183.46 1wbd n GLU 186 N -3.68 3.74 0.25 0.00 -0.58 -1.26 -4.76 120.64 114.35 1wbd n GLU 186 Ca -0.23 -3.60 0.14 0.00 -0.42 0.00 0.00 57.16 53.04 1wbd n GLU 186 Cb 1.04 -2.88 0.58 0.00 -0.57 0.00 0.00 31.44 29.61 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 5.65 0.00 0.00 3.49 2.86 -2.01 -2.56 114.93 122.36 1wbd h MET 187 Ca 0.40 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.02 1wbd h MET 187 Cb 0.61 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1wbd h MET 187 CO 1.60 0.11 -0.06 0.66 1.06 0.00 0.00 176.91 180.29 1wbd h SER 188 N 0.00 0.00 0.49 1.22 4.64 -1.94 -0.22 113.55 117.74 1wbd h SER 188 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1wbd h SER 188 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1wbd h SER 188 CO 0.01 0.06 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.93 1wbd h LEU 189 N 0.00 0.00 0.00 5.97 3.38 -1.88 -3.39 115.31 119.40 1wbd h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wbd h LEU 189 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wbd h LEU 189 CO 0.01 0.03 -0.51 -0.38 0.09 0.00 0.00 178.44 177.67 1wbd n ILE 190 N -3.21 0.00 -2.55 1.22 -0.00 -0.34 -4.98 119.36 109.51 1wbd n ILE 190 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.39 1wbd n ILE 190 Cb 0.20 -0.43 -0.04 0.00 -0.00 0.00 0.00 39.64 39.37 1wbd n ILE 190 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 1wbd s GLU 191 N -1.46 3.91 -1.25 0.38 -1.05 -0.24 -2.33 118.70 116.65 1wbd s GLU 191 Ca 0.00 1.40 0.00 0.00 -0.15 0.00 0.00 54.97 56.22 1wbd s GLU 191 Cb 0.00 -2.22 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 1wbd s GLU 191 CO 0.00 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.28 1wbd n GLY 192 N -0.08 1.00 3.95 -3.83 0.00 -1.26 -4.99 105.19 99.98 1wbd n GLY 192 Ca 0.08 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.39 3.19 0.34 1.61 0.52 -0.99 -5.11 118.95 115.12 1wbd s ARG 193 Ca 0.00 -0.49 -0.07 0.00 -0.52 0.00 0.00 55.73 54.65 1wbd s ARG 193 Cb 0.00 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.80 1wbd s ARG 193 CO 0.00 -0.13 0.65 -0.98 0.02 0.00 0.00 175.30 174.86 1wbd s ARG 194 N -4.46 3.69 -1.52 3.54 1.70 -1.26 -4.35 118.95 116.29 1wbd s ARG 194 Ca 0.46 0.20 -0.05 0.00 -0.47 0.00 0.00 55.73 55.87 1wbd s ARG 194 Cb -0.10 -2.53 0.01 0.00 -0.57 0.00 0.00 34.95 31.75 1wbd s ARG 194 CO 0.37 0.10 0.63 0.41 -1.08 0.00 0.00 175.30 175.73 1wbd n GLY 195 N -1.13 -0.50 3.74 3.88 0.00 -1.25 -4.39 105.19 105.54 1wbd n GLY 195 Ca 0.00 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1wbd n GLY 195 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wbd s LEU 196 N -6.59 4.51 -0.28 0.99 2.96 -1.26 -1.06 118.68 117.94 1wbd s LEU 196 Ca 0.31 2.07 -0.04 0.00 -0.22 0.00 0.00 54.13 56.26 1wbd s LEU 196 Cb -0.14 -3.61 0.10 0.00 0.50 0.00 0.00 46.19 43.05 1wbd s LEU 196 CO 0.39 -0.17 0.15 -0.13 -1.32 0.00 0.00 176.35 175.26 1wbd s ARG 197 N -0.51 0.20 0.11 1.98 1.81 -0.05 -4.91 118.95 117.57 1wbd s ARG 197 Ca 0.48 -0.44 -0.31 0.00 -1.72 0.00 0.00 55.73 53.74 1wbd s ARG 197 Cb -0.29 -1.15 -0.08 0.00 -0.45 0.00 0.00 34.95 32.98 1wbd s ARG 197 CO 0.35 -0.99 1.41 0.50 -0.68 0.00 0.00 175.30 175.89 1wbd s ARG 198 N 2.14 4.31 0.09 3.54 3.52 -1.26 -1.27 118.95 130.02 1wbd s ARG 198 Ca 0.09 2.09 0.09 0.00 -0.13 0.00 0.00 55.73 57.86 1wbd s ARG 198 Cb -0.16 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 1wbd s ARG 198 CO -0.34 -0.47 -0.22 1.03 -0.81 0.00 0.00 175.30 174.49 1wbd s ARG 199 N 1.26 1.26 0.57 5.12 1.81 0.22 -4.91 118.95 124.29 1wbd s ARG 199 Ca 0.65 -1.16 -0.19 0.00 -1.72 0.00 0.00 55.73 53.31 1wbd s ARG 199 Cb -0.37 -1.55 -0.05 0.00 -0.45 0.00 0.00 34.95 32.54 1wbd s ARG 199 CO 0.30 0.37 1.17 -1.25 -0.68 0.00 0.00 175.30 175.21 1wbd s PRO 200 N -1.77 3.15 0.30 3.54 0.04 -1.26 -1.43 135.00 137.56 1wbd s PRO 200 Ca 0.08 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.90 1wbd s PRO 200 Cb -0.10 -1.97 0.77 0.00 0.04 0.00 0.00 34.50 33.24 1wbd s PRO 200 CO 0.04 -1.04 1.73 -0.07 0.04 0.00 0.00 177.00 177.71 1wbd h LEU 201 N 1.02 0.59 -2.33 -3.56 3.38 -1.95 -2.85 115.31 109.61 1wbd h LEU 201 Ca -0.50 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1wbd h LEU 201 Cb 1.28 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1wbd h LEU 201 CO 0.56 0.13 -0.04 4.11 0.09 0.00 0.00 178.44 183.28 1wbd h TRP 202 N 0.58 0.00 0.00 1.13 5.08 -2.01 -0.66 115.95 120.07 1wbd h TRP 202 Ca 0.58 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.55 1wbd h TRP 202 Cb 1.04 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 1wbd h TRP 202 CO -0.05 0.04 0.00 0.39 -1.28 0.00 0.00 178.44 177.54 1wbd n GLU 203 N -3.65 0.25 -0.19 0.12 1.02 -1.07 -2.09 120.64 115.02 1wbd n GLU 203 Ca -0.02 0.12 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 1wbd n GLU 203 Cb 0.14 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.23 1wbd n GLU 203 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1wbd n PHE 204 N -1.29 0.51 -1.83 -0.32 3.01 -0.25 -2.75 117.46 114.54 1wbd n PHE 204 Ca 0.08 -0.46 -0.42 0.00 1.01 0.00 0.00 57.45 57.66 1wbd n PHE 204 Cb 0.14 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 1wbd n PHE 204 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1wbd s GLU 205 N -1.01 4.16 0.20 -1.08 2.56 -0.89 -4.63 118.70 118.01 1wbd s GLU 205 Ca 0.27 2.50 -0.08 0.00 0.00 0.00 0.00 54.97 57.66 1wbd s GLU 205 Cb 0.14 -3.09 0.13 0.00 2.00 0.00 0.00 34.13 33.32 1wbd s GLU 205 CO 0.19 -0.65 1.70 0.97 -0.56 0.00 0.00 175.26 176.91 1wbd h ILE 206 N 3.72 1.26 -0.12 -3.70 6.09 -1.93 -2.38 117.51 120.46 1wbd h ILE 206 Ca -0.44 -1.05 -0.12 0.00 -1.37 0.00 0.00 64.86 61.88 1wbd h ILE 206 Cb 1.21 0.67 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 1wbd h ILE 206 CO 0.88 0.39 -0.44 0.44 -3.07 0.00 0.00 178.15 176.36 1wbd h ASP 207 N 1.00 0.30 -0.08 2.19 3.32 -1.99 -1.30 116.42 119.87 1wbd h ASP 207 Ca 0.20 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1wbd h ASP 207 Cb 0.46 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.93 1wbd h ASP 207 CO 0.02 0.71 -0.40 0.74 -1.72 0.00 0.00 179.24 178.58 1wbd h THR 208 N 0.24 1.40 -0.33 0.35 2.02 -1.94 -1.92 112.91 112.72 1wbd h THR 208 Ca 0.02 -1.79 0.06 0.00 0.77 0.00 0.00 66.41 65.47 1wbd h THR 208 Cb 0.87 2.30 -0.05 0.00 -1.74 0.00 0.00 68.15 69.53 1wbd h THR 208 CO 0.07 0.52 0.02 0.00 0.37 0.00 0.00 175.52 176.50 1wbd h ALA 209 N 0.44 0.32 -0.45 6.16 0.00 -1.25 0.69 119.26 125.16 1wbd h ALA 209 Ca -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wbd h ALA 209 Cb 1.06 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1wbd h ALA 209 CO 0.08 -0.39 0.27 0.00 0.00 0.00 0.00 179.25 179.22 1wbd h ARG 210 N 0.12 0.61 0.39 0.00 3.08 -1.22 -1.26 114.38 116.10 1wbd h ARG 210 Ca 0.16 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1wbd h ARG 210 Cb 0.21 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1wbd h ARG 210 CO -0.25 0.45 -0.20 0.37 -1.07 0.00 0.00 179.97 179.26 1wbd h GLN 211 N 0.60 -0.52 -0.59 0.04 -0.00 -0.98 -1.86 115.11 111.79 1wbd h GLN 211 Ca 0.16 0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.78 1wbd h GLN 211 Cb -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 1wbd h GLN 211 CO -0.03 -0.35 0.09 1.96 0.00 0.00 0.00 178.83 180.50 1wbd h GLN 212 N -0.54 0.95 -0.30 1.69 1.08 -0.74 -1.87 115.11 115.39 1wbd h GLN 212 Ca -0.05 -0.24 -0.04 0.00 -1.45 0.00 0.00 58.65 56.87 1wbd h GLN 212 Cb 0.42 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1wbd h GLN 212 CO 0.07 0.89 0.02 -0.07 -0.95 0.00 0.00 178.83 178.80 1wbd h LEU 213 N 0.90 0.49 -1.21 1.46 3.38 -1.21 0.93 115.31 120.04 1wbd h LEU 213 Ca 0.18 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1wbd h LEU 213 Cb 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1wbd h LEU 213 CO 0.01 0.66 0.38 0.78 0.09 0.00 0.00 178.44 180.36 1wbd h ASN 214 N 0.31 0.81 -0.20 -0.43 2.35 -1.27 -0.47 115.58 116.69 1wbd h ASN 214 Ca 0.09 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1wbd h ASN 214 Cb 0.39 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1wbd h ASN 214 CO 0.01 0.65 -0.16 0.25 -1.65 0.00 0.00 177.43 176.53 1wbd h LEU 215 N 0.93 0.49 -0.90 1.61 5.85 -1.10 0.11 115.31 122.30 1wbd h LEU 215 Ca 0.24 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1wbd h LEU 215 Cb 0.00 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 1wbd h LEU 215 CO -0.04 0.83 0.56 -0.61 -0.34 0.00 0.00 178.44 178.84 1wbd h GLN 216 N 0.14 0.97 -0.01 1.25 5.75 -0.50 -2.93 115.11 119.78 1wbd h GLN 216 Ca 0.04 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1wbd h GLN 216 Cb 0.68 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1wbd h GLN 216 CO 0.04 0.64 -0.31 1.19 -2.65 0.00 0.00 178.83 177.74 1wbd n PHE 217 N -4.61 0.00 -2.23 3.99 3.72 -0.21 -4.89 117.46 113.23 1wbd n PHE 217 Ca 0.14 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.41 1wbd n PHE 217 Cb 0.20 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.13 3.70 1.37 0.00 0.24 -5.03 105.19 106.68 1wbd n GLY 218 Ca 0.12 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.63 2.92 -0.00 2.61 -4.23 -0.38 -5.03 115.64 108.90 1wbd s THR 219 Ca 0.00 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 58.69 1wbd s THR 219 Cb 0.00 -2.91 -0.27 0.00 1.34 0.00 0.00 72.50 70.65 1wbd s THR 219 CO 0.00 -0.20 0.84 0.03 -0.54 0.00 0.00 174.62 174.75 1wbd h ARG 220 N 1.65 0.23 -3.87 3.99 2.47 -1.96 -3.42 114.38 113.47 1wbd h ARG 220 Ca -0.43 -0.39 -0.11 0.00 -1.26 0.00 0.00 59.98 57.79 1wbd h ARG 220 Cb 1.25 0.14 -0.10 0.00 -1.65 0.00 0.00 29.97 29.61 1wbd h ARG 220 CO 0.64 1.08 -0.22 0.16 0.56 0.00 0.00 179.97 182.19 1wbd s ASP 221 N -6.92 0.02 -0.14 7.04 1.47 -1.26 -4.99 116.67 111.88 1wbd s ASP 221 Ca -0.09 -1.06 0.18 0.00 1.18 0.00 0.00 52.55 52.76 1wbd s ASP 221 Cb 0.07 0.55 0.76 0.00 -0.34 0.00 0.00 42.92 43.96 1wbd s ASP 221 CO 0.85 -1.09 1.67 0.18 0.68 0.00 0.00 175.17 177.46 1wbd n LEU 222 N -0.37 5.05 0.03 2.11 4.77 -1.26 -4.48 117.00 122.84 1wbd n LEU 222 Ca -0.01 -2.55 -0.11 0.00 -0.03 0.00 0.00 56.01 53.32 1wbd n LEU 222 Cb 0.63 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1wbd n LEU 222 CO 0.25 0.78 0.66 0.58 -1.33 0.00 0.00 177.39 178.34 1wbd h VAL 223 N 4.17 0.34 -0.26 4.08 2.07 -1.96 -2.36 116.25 122.34 1wbd h VAL 223 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1wbd h VAL 223 Cb 1.58 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1wbd h VAL 223 CO 0.29 0.00 0.27 1.23 0.02 0.00 0.00 177.57 179.38 1wbd h GLY 224 N -0.40 0.00 0.75 2.17 0.00 -2.03 -0.58 103.07 102.99 1wbd h GLY 224 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1wbd h GLY 224 CO -0.30 0.00 -0.26 0.69 0.00 0.00 0.00 176.54 176.67 1wbd n PHE 225 N -3.82 0.00 -2.08 5.60 3.72 -0.90 -4.97 117.46 115.01 1wbd n PHE 225 Ca 0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 1wbd n PHE 225 Cb 0.41 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.38 0.10 0.00 1.37 0.00 -0.23 -4.53 105.19 103.28 1wbd n GLY 226 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.85 0.49 -0.30 1.61 0.24 -1.19 -4.66 118.33 110.67 1wbd n VAL 227 Ca -0.12 -0.56 -0.04 0.00 -2.04 0.00 0.00 64.34 61.58 1wbd n VAL 227 Cb 0.56 0.84 0.09 0.00 -1.47 0.00 0.00 33.84 33.86 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 1.21 0.00 7.34 4.57 -1.86 -2.24 114.58 123.59 1wbd h GLU 228 Ca 0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1wbd h GLU 228 Cb 0.57 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1wbd h GLU 228 CO 0.00 0.93 0.58 -0.91 -1.18 0.00 0.00 179.01 178.43 1wbd h ASN 229 N 1.19 0.00 -2.20 1.04 2.35 -1.91 -3.40 115.58 112.65 1wbd h ASN 229 Ca 0.29 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.46 1wbd h ASN 229 Cb 0.12 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.07 1wbd h ASN 229 CO -0.04 0.00 -0.72 0.00 -1.65 0.00 0.00 177.43 175.03 1wbd n ALA 230 N -1.67 4.02 -0.19 -0.83 0.00 -0.84 -4.91 120.51 116.09 1wbd n ALA 230 Ca -0.01 -4.50 0.04 0.00 0.00 0.00 0.00 53.44 48.97 1wbd n ALA 230 Cb 0.61 -0.82 0.31 0.00 0.00 0.00 0.00 19.45 19.55 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 3.47 0.84 -0.33 0.00 0.13 -1.81 0.57 132.00 134.86 1wbd h PRO 231 Ca 0.15 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.30 1wbd h PRO 231 Cb 0.63 -0.19 -0.08 0.00 0.13 0.00 0.00 31.00 31.49 1wbd h PRO 231 CO 0.77 0.56 -0.25 0.00 -0.23 0.00 0.00 178.00 178.84 1wbd h ARG 232 N 0.86 -0.21 -0.28 0.86 3.08 -1.94 -0.97 114.38 115.78 1wbd h ARG 232 Ca 0.29 0.01 -0.19 0.00 0.07 0.00 0.00 59.98 60.17 1wbd h ARG 232 Cb 0.09 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1wbd h ARG 232 CO -0.09 -0.14 -0.56 0.78 -1.07 0.00 0.00 179.97 178.89 1wbd h GLY 233 N -0.22 0.93 0.73 0.04 0.00 -1.64 -3.09 103.07 99.82 1wbd h GLY 233 Ca 0.16 -1.10 0.11 0.00 0.00 0.00 0.00 47.33 46.50 1wbd h GLY 233 CO -0.46 0.99 0.55 1.41 0.00 0.00 0.00 176.54 179.04 1wbd h LEU 234 N 0.65 0.71 -0.41 3.11 3.38 -0.56 -0.75 115.31 121.43 1wbd h LEU 234 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wbd h LEU 234 Cb 1.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1wbd h LEU 234 CO 0.12 0.41 0.27 0.00 0.09 0.00 0.00 178.44 179.33 1wbd h ALA 236 N 1.15 0.33 -0.25 0.00 0.00 -1.49 -2.43 119.26 116.57 1wbd h ALA 236 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1wbd h ALA 236 Cb -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wbd h ALA 236 CO -0.03 -0.07 0.04 0.00 0.00 0.00 0.00 179.25 179.19 1wbd h ALA 237 N 0.94 1.60 -0.23 0.00 0.00 -0.73 -1.58 119.26 119.26 1wbd h ALA 237 Ca 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1wbd h ALA 237 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wbd h ALA 237 CO -0.01 0.30 -0.17 0.78 0.00 0.00 0.00 179.25 180.15 1wbd h GLY 238 N 0.61 0.57 0.26 0.00 0.00 -0.56 -0.69 103.07 103.27 1wbd h GLY 238 Ca 0.09 -0.55 0.08 0.00 0.00 0.00 0.00 47.33 46.94 1wbd h GLY 238 CO -0.00 0.50 -0.04 0.00 0.00 0.00 0.00 176.54 177.00 1wbd h LEU 240 N 0.06 0.42 -1.01 0.00 6.46 -1.04 -1.21 115.31 118.99 1wbd h LEU 240 Ca 0.20 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.71 1wbd h LEU 240 Cb 0.30 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1wbd h LEU 240 CO -0.38 0.50 0.06 0.25 -0.62 0.00 0.00 178.44 178.25 1wbd h LEU 241 N 0.31 0.74 -0.68 2.25 5.85 -1.09 -1.35 115.31 121.35 1wbd h LEU 241 Ca 0.10 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 1wbd h LEU 241 Cb 0.22 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1wbd h LEU 241 CO -0.00 0.76 -0.41 1.56 -0.34 0.00 0.00 178.44 180.01 1wbd h GLN 242 N 0.74 0.54 -0.50 1.25 4.20 -0.82 -1.70 115.11 118.82 1wbd h GLN 242 Ca 0.16 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 1wbd h GLN 242 Cb 0.36 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1wbd h GLN 242 CO 0.01 0.86 -0.03 -0.92 -0.67 0.00 0.00 178.83 178.08 1wbd h TYR 243 N 0.45 0.93 -0.24 2.96 3.20 -0.74 -2.16 116.97 121.36 1wbd h TYR 243 Ca 0.04 -0.15 -0.17 0.00 3.14 0.00 0.00 58.73 61.59 1wbd h TYR 243 Cb 0.91 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1wbd h TYR 243 CO 0.04 0.86 -0.49 0.00 -1.64 0.00 0.00 178.16 176.92 1wbd h ALA 244 N 1.17 0.39 -0.31 1.82 0.00 -0.93 -0.94 119.26 120.46 1wbd h ALA 244 Ca 0.15 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1wbd h ALA 244 Cb 0.51 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1wbd h ALA 244 CO 0.03 0.56 -0.16 0.87 0.00 0.00 0.00 179.25 180.55 1wbd h LYS 245 N 0.50 0.55 -0.02 0.00 1.57 -1.28 -2.06 116.57 115.85 1wbd h LYS 245 Ca 0.01 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.47 1wbd h LYS 245 Cb 1.10 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1wbd h LYS 245 CO 0.11 0.69 -0.66 0.22 -0.57 0.00 0.00 179.45 179.24 1wbd h ASP 246 N 0.50 0.09 0.40 0.86 3.58 -1.19 -0.95 116.42 119.71 1wbd h ASP 246 Ca 0.09 -0.06 -0.26 0.00 0.42 0.00 0.00 57.03 57.22 1wbd h ASP 246 Cb 0.56 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.60 1wbd h ASP 246 CO 0.04 0.72 -1.14 0.71 -2.88 0.00 0.00 179.24 176.69 1wbd h THR 247 N 0.05 1.41 0.05 2.25 1.35 -0.95 -3.39 112.91 113.68 1wbd h THR 247 Ca -0.01 -2.68 -0.35 0.00 -0.55 0.00 0.00 66.41 62.82 1wbd h THR 247 Cb 1.17 2.69 -0.04 0.00 -1.73 0.00 0.00 68.15 70.24 1wbd h THR 247 CO 0.09 0.80 -2.08 0.00 -0.25 0.00 0.00 175.52 174.08 1wbd n GLN 248 N -3.68 0.70 -1.99 4.72 1.13 -0.79 -0.60 117.38 116.87 1wbd n GLN 248 Ca -0.09 0.21 -0.20 0.00 -1.94 0.00 0.00 57.00 54.98 1wbd n GLN 248 Cb 0.95 -1.67 -0.05 0.00 0.11 0.00 0.00 30.24 29.58 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 -3.22 -1.59 -4.41 -1.09 1.74 -0.36 -4.66 116.66 103.06 1wbd n ARG 249 Ca -0.31 1.07 -0.20 0.00 -0.77 0.00 0.00 57.85 57.64 1wbd n ARG 249 Cb 1.05 -5.58 -0.10 0.00 -1.02 0.00 0.00 32.46 26.81 1wbd n ARG 249 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wbd s THR 250 N -2.84 0.82 0.67 0.55 -4.23 -1.26 -5.04 115.64 104.31 1wbd s THR 250 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 1wbd s THR 250 Cb 0.00 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.19 1wbd s THR 250 CO 0.00 0.00 1.11 0.42 -0.54 0.00 0.00 174.62 175.61 1wbd s THR 251 N -3.46 3.24 -0.60 3.99 -4.23 -1.26 -4.95 115.64 108.38 1wbd s THR 251 Ca 0.35 0.56 0.06 0.00 -1.18 0.00 0.00 61.69 61.47 1wbd s THR 251 Cb 0.07 -3.08 0.20 0.00 1.34 0.00 0.00 72.50 71.04 1wbd s THR 251 CO 0.15 -0.38 0.55 0.18 -0.54 0.00 0.00 174.62 174.58 1wbd n LEU 252 N -2.54 2.34 0.00 4.79 4.77 -1.26 -4.81 117.00 120.29 1wbd n LEU 252 Ca 0.10 -5.09 0.11 0.00 -0.03 0.00 0.00 56.01 51.11 1wbd n LEU 252 Cb 0.52 -0.35 0.53 0.00 -2.33 0.00 0.00 43.42 41.79 1wbd n LEU 252 CO 0.48 1.90 0.86 -0.81 -1.33 0.00 0.00 177.39 178.50 1wbd n PRO 253 N 1.69 0.18 0.03 3.23 -0.04 -1.26 -2.36 135.00 136.48 1wbd n PRO 253 Ca 0.25 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 1wbd n PRO 253 Cb 0.41 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.72 1wbd n PRO 253 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1wbd n HIS 254 N -1.38 0.29 -3.09 0.54 1.44 -1.26 -4.41 115.22 107.35 1wbd n HIS 254 Ca 0.08 0.08 -0.45 0.00 -2.01 0.00 0.00 57.72 55.43 1wbd n HIS 254 Cb 0.21 -0.53 -0.02 0.00 0.12 0.00 0.00 29.99 29.78 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 -3.06 5.18 -1.04 0.61 1.01 -0.99 -4.47 121.20 118.44 1wbd s ILE 255 Ca 0.10 -2.24 0.09 0.00 0.00 0.00 0.00 60.65 58.60 1wbd s ILE 255 Cb 0.16 -4.70 0.06 0.00 0.01 0.00 0.00 42.46 37.99 1wbd s ILE 255 CO 0.65 -1.36 0.75 -2.11 0.00 0.00 0.00 174.94 172.87 1wbd n ARG 256 N 5.21 0.44 -3.49 2.79 1.85 -1.26 -4.76 116.66 117.44 1wbd n ARG 256 Ca 0.24 -0.96 -0.16 0.00 -1.00 0.00 0.00 57.85 55.97 1wbd n ARG 256 Cb 0.46 -1.15 -0.05 0.00 -1.05 0.00 0.00 32.46 30.68 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 -0.78 -0.62 0.05 2.89 0.15 -1.26 -4.87 113.70 109.27 1wbd s SER 257 Ca 0.10 0.46 0.01 0.00 0.70 0.00 0.00 55.95 57.22 1wbd s SER 257 Cb 0.07 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.91 1wbd s SER 257 CO 0.12 -0.73 -0.06 -0.51 1.20 0.00 0.00 173.24 173.26 1wbd s ILE 258 N -2.08 0.46 0.01 6.45 2.07 -1.26 -4.34 121.20 122.51 1wbd s ILE 258 Ca -0.07 -1.32 0.00 0.00 -1.41 0.00 0.00 60.65 57.86 1wbd s ILE 258 Cb -0.00 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 1wbd s ILE 258 CO 0.02 -0.58 -0.02 -0.89 -1.91 0.00 0.00 174.94 171.55 1wbd s THR 259 N -2.18 0.14 -0.11 4.00 2.01 -0.91 -4.81 115.64 113.78 1wbd s THR 259 Ca -0.04 -0.32 -0.19 0.00 0.31 0.00 0.00 61.69 61.45 1wbd s THR 259 Cb -0.05 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1wbd s THR 259 CO -0.02 -0.11 0.50 -0.32 -0.69 0.00 0.00 174.62 173.98 1wbd s MET 260 N -0.45 4.35 -0.52 4.92 1.75 -1.26 -0.91 119.30 127.18 1wbd s MET 260 Ca -0.04 0.50 -0.21 0.00 -1.25 0.00 0.00 55.69 54.69 1wbd s MET 260 Cb -0.03 -3.43 0.05 0.00 2.84 0.00 0.00 34.83 34.25 1wbd s MET 260 CO -0.00 0.16 0.76 -1.21 -0.65 0.00 0.00 175.02 174.08 1wbd s GLU 261 N 0.61 3.22 0.23 4.11 2.02 0.37 -4.92 118.70 124.34 1wbd s GLU 261 Ca 0.27 -0.58 -0.11 0.00 0.02 0.00 0.00 54.97 54.57 1wbd s GLU 261 Cb -0.15 -4.07 -0.07 0.00 0.10 0.00 0.00 34.13 29.93 1wbd s GLU 261 CO 0.11 -1.32 0.58 1.03 0.02 0.00 0.00 175.26 175.68 1wbd s ARG 262 N 3.21 3.86 0.29 1.61 0.52 -1.26 -4.56 118.95 122.62 1wbd s ARG 262 Ca 0.22 0.37 0.04 0.00 -0.52 0.00 0.00 55.73 55.84 1wbd s ARG 262 Cb -0.16 -2.65 0.76 0.00 0.52 0.00 0.00 34.95 33.42 1wbd s ARG 262 CO 0.16 0.31 1.66 0.93 0.02 0.00 0.00 175.30 178.38 1wbd h GLU 263 N 2.64 0.27 0.00 3.54 5.08 -1.96 -1.82 114.58 122.34 1wbd h GLU 263 Ca -0.47 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1wbd h GLU 263 Cb 1.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1wbd h GLU 263 CO 0.68 0.18 0.00 1.96 -1.00 0.00 0.00 179.01 180.83 1wbd h GLN 264 N 0.28 0.00 0.00 2.33 7.50 -1.96 -3.19 115.11 120.07 1wbd h GLN 264 Ca 0.57 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.61 1wbd h GLN 264 Cb 1.16 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.67 1wbd h GLN 264 CO -0.61 0.00 -0.57 -0.44 -1.50 0.00 0.00 178.83 175.72 1wbd h ASP 265 N 0.00 0.00 -5.05 1.46 3.32 -1.72 -3.44 116.42 110.98 1wbd h ASP 265 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1wbd h ASP 265 Cb 0.71 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.11 1wbd h ASP 265 CO 0.00 0.57 -0.66 -0.94 -1.72 0.00 0.00 179.24 176.48 1wbd s SER 266 N -6.54 0.68 -0.04 6.45 1.04 -1.21 -1.42 113.70 112.66 1wbd s SER 266 Ca 0.02 -1.14 -0.30 0.00 0.48 0.00 0.00 55.95 55.00 1wbd s SER 266 Cb 0.10 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1wbd s SER 266 CO 0.74 -0.64 1.16 -0.63 0.98 0.00 0.00 173.24 174.85 1wbd s ILE 267 N -3.87 4.35 -0.44 -1.02 1.01 -0.37 -4.85 121.20 116.00 1wbd s ILE 267 Ca 0.20 1.67 -0.13 0.00 0.00 0.00 0.00 60.65 62.38 1wbd s ILE 267 Cb 0.07 -4.07 0.07 0.00 0.01 0.00 0.00 42.46 38.54 1wbd s ILE 267 CO -0.00 0.02 0.33 -0.63 0.00 0.00 0.00 174.94 174.66 1wbd s ILE 268 N 1.96 4.83 -0.11 2.92 1.01 -0.90 -4.48 121.20 126.44 1wbd s ILE 268 Ca 0.55 -1.15 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 1wbd s ILE 268 Cb -0.24 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1wbd s ILE 268 CO 0.23 -0.52 0.56 -0.04 0.00 0.00 0.00 174.94 175.16 1wbd s MET 269 N 1.56 4.35 1.18 2.79 -1.94 -1.26 -1.84 119.30 124.14 1wbd s MET 269 Ca 0.04 0.59 -0.18 0.00 -1.71 0.00 0.00 55.69 54.42 1wbd s MET 269 Cb -0.23 -3.46 0.28 0.00 2.01 0.00 0.00 34.83 33.43 1wbd s MET 269 CO 0.05 0.09 1.11 0.16 -0.01 0.00 0.00 175.02 176.42 1wbd s ASP 270 N 0.74 1.11 0.13 3.03 1.47 -0.77 -4.82 116.67 117.56 1wbd s ASP 270 Ca 0.30 0.68 -0.16 0.00 1.18 0.00 0.00 52.55 54.55 1wbd s ASP 270 Cb -0.16 -0.97 -0.01 0.00 -0.34 0.00 0.00 42.92 41.44 1wbd s ASP 270 CO 0.13 -4.01 1.70 0.00 0.68 0.00 0.00 175.17 173.66 1wbd h ALA 271 N -2.50 0.49 -0.76 2.11 0.00 -1.89 -2.80 119.26 113.90 1wbd h ALA 271 Ca -0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wbd h ALA 271 Cb 1.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1wbd h ALA 271 CO 0.37 0.07 0.48 0.00 0.00 0.00 0.00 179.25 180.16 1wbd h ALA 272 N 1.02 1.42 -0.03 0.00 0.00 -1.93 -2.57 119.26 117.16 1wbd h ALA 272 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wbd h ALA 272 Cb 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1wbd h ALA 272 CO -0.01 0.52 0.00 1.15 0.00 0.00 0.00 179.25 180.91 1wbd h THR 273 N 1.04 1.22 -0.61 0.00 2.02 -1.77 0.21 112.91 115.02 1wbd h THR 273 Ca 0.27 -0.67 0.09 0.00 0.77 0.00 0.00 66.41 66.87 1wbd h THR 273 Cb -0.08 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.87 1wbd h THR 273 CO -0.06 0.18 0.23 0.03 0.37 0.00 0.00 175.52 176.28 1wbd h ARG 274 N -0.21 0.41 -0.29 6.66 3.08 -1.40 -1.37 114.38 121.26 1wbd h ARG 274 Ca 0.01 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1wbd h ARG 274 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1wbd h ARG 274 CO 0.00 0.27 -0.04 0.00 -1.07 0.00 0.00 179.97 179.13 1wbd h ARG 275 N 0.42 0.53 0.00 0.04 3.08 -1.29 -3.11 114.38 114.05 1wbd h ARG 275 Ca 0.31 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1wbd h ARG 275 Cb 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1wbd h ARG 275 CO -0.30 0.71 -0.30 -0.97 -1.07 0.00 0.00 179.97 178.04 1wbd h ASN 276 N 0.30 0.00 0.43 7.04 -1.24 -0.11 -2.40 115.58 119.61 1wbd h ASN 276 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1wbd h ASN 276 Cb 0.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.55 1wbd h ASN 276 CO 0.02 0.30 -0.33 0.18 -1.29 0.00 0.00 177.43 176.31 1wbd n LEU 277 N -3.76 0.63 -3.59 0.34 4.77 -0.56 -4.98 117.00 109.86 1wbd n LEU 277 Ca -0.01 -0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.64 1wbd n LEU 277 Cb 0.40 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1wbd n LEU 277 CO 0.36 0.13 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.88 1wbd n GLU 278 N -1.15 -1.43 0.12 3.23 1.02 -0.90 -4.58 120.64 116.96 1wbd n GLU 278 Ca 0.09 0.54 -0.06 0.00 -0.02 0.00 0.00 57.16 57.71 1wbd n GLU 278 Cb 0.33 -4.48 -0.03 0.00 -0.02 0.00 0.00 31.44 27.24 1wbd n GLU 278 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1wbd h ILE 279 N -1.72 0.00 0.00 -3.67 2.04 -1.85 -1.16 117.51 111.14 1wbd h ILE 279 Ca -0.65 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1wbd h ILE 279 Cb 1.35 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1wbd h ILE 279 CO 0.47 0.00 -0.35 0.35 0.00 0.00 0.00 178.15 178.63 1wbd n THR 280 N -4.71 0.00 -4.11 -0.27 -2.24 -1.26 -1.40 114.28 100.29 1wbd n THR 280 Ca -0.05 -0.36 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 1wbd n THR 280 Cb 0.15 0.91 -0.17 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.53 0.86 0.64 -0.78 0.74 -1.26 -4.62 119.66 113.71 1wbd s GLN 281 Ca 0.01 -0.09 -0.11 0.00 0.05 0.00 0.00 55.36 55.22 1wbd s GLN 281 Cb 0.03 -0.91 0.15 0.00 1.10 0.00 0.00 33.01 33.38 1wbd s GLN 281 CO 0.17 -0.11 0.82 0.27 -0.55 0.00 0.00 175.29 175.88 1wbd n ASN 282 N 4.23 -0.19 -0.09 6.67 0.23 0.54 -4.31 115.26 122.33 1wbd n ASN 282 Ca -0.22 -1.25 0.14 0.00 -0.53 0.00 0.00 54.58 52.73 1wbd n ASN 282 Cb 0.51 -0.64 0.78 0.00 -2.08 0.00 0.00 39.78 38.34 1wbd n ASN 282 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1wbd n LEU 283 N 0.00 0.29 -0.09 -4.53 4.77 -1.26 -2.59 117.00 113.58 1wbd n LEU 283 Ca 0.10 -0.10 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1wbd n LEU 283 Cb 0.36 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1wbd n LEU 283 CO 0.26 0.05 0.55 0.00 -1.33 0.00 0.00 177.39 176.93 1wbd n ALA 284 N -0.73 2.20 0.00 -1.18 0.00 -1.26 -4.99 120.51 114.55 1wbd n ALA 284 Ca 0.21 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1wbd n ALA 284 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.03 2.32 3.91 0.00 0.00 -1.07 -5.03 105.19 104.29 1wbd n GLY 285 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1wbd n GLY 285 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wbd s GLY 286 N -1.93 1.63 0.00 -0.02 0.00 -1.26 -4.71 107.32 101.03 1wbd s GLY 286 Ca 0.00 -0.69 0.20 0.00 0.00 0.00 0.00 44.72 44.23 1wbd s GLY 286 CO 0.00 -0.26 1.05 0.00 0.00 0.00 0.00 173.10 173.89 1wbd n ALA 287 N -3.08 2.87 -1.72 3.20 0.00 -1.26 -0.34 120.51 120.18 1wbd n ALA 287 Ca 0.08 -0.63 -0.33 0.00 0.00 0.00 0.00 53.44 52.56 1wbd n ALA 287 Cb 0.60 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.90 3.52 -1.41 0.00 8.01 -1.26 -4.18 118.70 121.48 1wbd s GLU 288 Ca 0.20 1.26 -0.07 0.00 0.01 0.00 0.00 54.97 56.36 1wbd s GLU 288 Cb 0.16 -2.06 0.04 0.00 -4.31 0.00 0.00 34.13 27.96 1wbd s GLU 288 CO 0.36 -0.65 0.90 0.09 0.01 0.00 0.00 175.26 175.97 1wbd n ASN 289 N -1.62 -3.47 -4.78 -0.19 3.02 -1.26 -4.54 115.26 102.42 1wbd n ASN 289 Ca 0.09 -0.76 -0.25 0.00 -0.03 0.00 0.00 54.58 53.63 1wbd n ASN 289 Cb 0.53 -4.16 -0.06 0.00 -0.61 0.00 0.00 39.78 35.47 1wbd n ASN 289 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wbd s THR 290 N -3.45 2.18 0.35 3.41 -4.23 -1.26 -4.85 115.64 107.80 1wbd s THR 290 Ca 0.37 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.26 1wbd s THR 290 Cb -0.18 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.07 1wbd s THR 290 CO 0.81 0.00 1.98 0.25 -0.54 0.00 0.00 174.62 177.11 1wbd h LEU 291 N 1.29 0.68 -0.44 4.79 5.85 -0.87 -2.39 115.31 124.22 1wbd h LEU 291 Ca -0.42 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.10 1wbd h LEU 291 Cb 1.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1wbd h LEU 291 CO 0.67 0.54 -0.43 0.00 -0.34 0.00 0.00 178.44 178.88 1wbd h ALA 292 N 1.57 0.62 -0.15 1.25 0.00 -1.49 -0.31 119.26 120.74 1wbd h ALA 292 Ca 0.20 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1wbd h ALA 292 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wbd h ALA 292 CO -0.04 0.67 0.14 0.66 0.00 0.00 0.00 179.25 180.69 1wbd h SER 293 N 0.67 0.00 0.00 0.00 4.64 -1.68 -0.18 113.55 117.00 1wbd h SER 293 Ca 0.04 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.16 1wbd h SER 293 Cb 1.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1wbd h SER 293 CO 0.10 0.00 -1.16 0.58 -0.87 0.00 0.00 176.83 175.48 1wbd h VAL 294 N 0.00 0.80 0.00 0.95 2.07 -1.28 -3.40 116.25 115.40 1wbd h VAL 294 Ca 0.07 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1wbd h VAL 294 Cb 0.35 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1wbd h VAL 294 CO -0.00 0.27 0.00 -0.07 0.02 0.00 0.00 177.57 177.79 1wbd h LEU 295 N -1.00 0.00 -7.95 2.57 3.38 -0.95 -3.43 115.31 107.94 1wbd h LEU 295 Ca -0.31 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 56.94 1wbd h LEU 295 Cb 1.20 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.75 1wbd h LEU 295 CO -0.18 0.00 0.52 -0.62 0.09 0.00 0.00 178.44 178.24 1wbd s ASP 296 N -5.65 6.63 -0.28 -0.43 2.15 -0.09 -4.71 116.67 114.29 1wbd s ASP 296 Ca 0.06 -2.19 0.11 0.00 0.43 0.00 0.00 52.55 50.96 1wbd s ASP 296 Cb 0.08 -2.33 0.47 0.00 -0.30 0.00 0.00 42.92 40.84 1wbd s ASP 296 CO 0.60 -0.91 1.17 0.00 -0.17 0.00 0.00 175.17 175.87 1wbd n THR 298 N -0.69 0.47 0.35 0.00 -2.24 -1.26 -4.89 114.28 106.02 1wbd n THR 298 Ca 0.34 -0.06 0.04 0.00 -2.27 0.00 0.00 64.05 62.10 1wbd n THR 298 Cb 0.92 -1.03 0.01 0.00 -2.10 0.00 0.00 70.33 68.13 1wbd n THR 298 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1wbd n VAL 299 N -4.02 0.00 -4.57 2.28 0.24 -1.26 -4.94 118.33 106.07 1wbd n VAL 299 Ca 0.12 -0.43 -0.27 0.00 -2.04 0.00 0.00 64.34 61.72 1wbd n VAL 299 Cb 0.52 1.11 -0.14 0.00 -1.47 0.00 0.00 33.84 33.86 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 -1.08 1.93 0.21 3.34 -4.23 -1.26 -4.49 115.64 110.06 1wbd s THR 300 Ca 0.07 -1.46 -0.09 0.00 -1.18 0.00 0.00 61.69 59.04 1wbd s THR 300 Cb 0.06 -1.70 0.15 0.00 1.34 0.00 0.00 72.50 72.36 1wbd s THR 300 CO 0.18 0.16 1.75 -0.65 -0.54 0.00 0.00 174.62 175.52 1wbd h PRO 301 N 4.44 0.43 -0.08 3.99 0.11 -1.86 -1.29 132.00 137.74 1wbd h PRO 301 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1wbd h PRO 301 Cb 1.16 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1wbd h PRO 301 CO 0.42 0.29 -0.27 0.00 -0.21 0.00 0.00 178.00 178.22 1wbd h MET 302 N 0.45 0.13 -0.15 1.05 -0.00 -1.83 -1.86 114.93 112.72 1wbd h MET 302 Ca 0.32 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.70 59.79 1wbd h MET 302 Cb 0.38 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.97 1wbd h MET 302 CO -0.30 0.40 -0.66 0.78 -0.00 0.00 0.00 176.91 177.13 1wbd h GLY 303 N 0.93 0.63 0.96 -3.00 0.00 -1.69 -2.38 103.07 98.52 1wbd h GLY 303 Ca 0.02 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1wbd h GLY 303 CO 0.04 0.73 0.19 0.23 0.00 0.00 0.00 176.54 177.73 1wbd h SER 304 N 0.41 0.47 -0.22 0.19 0.87 -0.54 -1.67 113.55 113.06 1wbd h SER 304 Ca -0.02 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1wbd h SER 304 Cb 1.24 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.05 1wbd h SER 304 CO 0.12 0.44 0.01 0.03 -0.53 0.00 0.00 176.83 176.90 1wbd h ARG 305 N 0.46 0.08 -0.58 2.24 3.08 -1.41 -2.42 114.38 115.83 1wbd h ARG 305 Ca 0.13 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1wbd h ARG 305 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1wbd h ARG 305 CO -0.02 0.05 0.33 1.98 -1.07 0.00 0.00 179.97 181.24 1wbd h MET 306 N 0.08 0.63 -0.74 0.04 4.05 -1.31 -1.36 114.93 116.31 1wbd h MET 306 Ca 0.11 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1wbd h MET 306 Cb 0.13 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 1wbd h MET 306 CO -0.17 0.41 0.41 1.25 0.23 0.00 0.00 176.91 179.04 1wbd h LEU 307 N 0.65 0.91 -0.93 3.39 5.85 -1.15 -1.00 115.31 123.02 1wbd h LEU 307 Ca 0.24 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1wbd h LEU 307 Cb 0.08 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1wbd h LEU 307 CO -0.13 0.74 -0.28 0.11 -0.34 0.00 0.00 178.44 178.55 1wbd h LYS 308 N 1.01 0.45 -0.78 1.25 1.57 -0.93 -0.36 116.57 118.78 1wbd h LYS 308 Ca 0.26 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1wbd h LYS 308 Cb 0.02 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1wbd h LYS 308 CO -0.04 0.69 0.39 0.00 -0.57 0.00 0.00 179.45 179.92 1wbd h ARG 309 N 0.40 1.11 0.01 3.15 3.08 -0.45 -2.12 114.38 119.56 1wbd h ARG 309 Ca 0.06 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1wbd h ARG 309 Cb 0.69 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1wbd h ARG 309 CO 0.05 0.85 -0.01 -1.49 -1.07 0.00 0.00 179.97 178.30 1wbd h TRP 310 N 1.11 -0.02 -1.01 3.04 4.06 -0.71 -1.41 115.95 121.01 1wbd h TRP 310 Ca 0.27 -0.00 0.23 0.00 2.06 0.00 0.00 58.89 61.45 1wbd h TRP 310 Cb 0.09 0.01 -0.11 0.00 -1.00 0.00 0.00 29.16 28.14 1wbd h TRP 310 CO 0.01 0.49 0.61 -0.07 -3.56 0.00 0.00 178.44 175.93 1wbd h LEU 311 N -0.53 0.67 0.00 -4.49 4.07 -1.01 -0.78 115.31 113.24 1wbd h LEU 311 Ca -0.00 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1wbd h LEU 311 Cb 0.52 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1wbd h LEU 311 CO 0.00 0.17 -0.22 0.45 -1.08 0.00 0.00 178.44 177.75 1wbd h HIS 312 N 0.61 0.00 -2.41 1.13 3.86 -1.24 -3.39 115.15 113.71 1wbd h HIS 312 Ca 0.61 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 59.23 1wbd h HIS 312 Cb 1.15 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 29.23 1wbd h HIS 312 CO -0.00 0.00 -0.90 -0.12 0.86 0.00 0.00 177.93 177.76 1wbd n MET 313 N -2.78 0.76 -1.97 2.45 0.00 -0.30 -4.93 117.12 110.35 1wbd n MET 313 Ca 0.04 -3.53 -0.40 0.00 -0.00 0.00 0.00 57.70 53.81 1wbd n MET 313 Cb 0.51 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 31.99 1wbd n MET 313 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1wbd s PRO 314 N -0.65 3.89 -0.09 2.12 0.02 -1.20 -4.75 135.00 134.34 1wbd s PRO 314 Ca 0.32 2.25 -0.09 0.00 0.02 0.00 0.00 61.00 63.50 1wbd s PRO 314 Cb 0.06 -2.73 -0.05 0.00 0.02 0.00 0.00 34.50 31.80 1wbd s PRO 314 CO -0.16 -0.59 0.22 0.08 -0.33 0.00 0.00 177.00 176.22 1wbd s VAL 315 N -1.24 5.37 -1.85 3.83 1.01 0.15 -1.24 120.40 126.43 1wbd s VAL 315 Ca 0.58 0.40 0.20 0.00 0.00 0.00 0.00 61.98 63.15 1wbd s VAL 315 Cb -0.40 -3.49 0.61 0.00 0.00 0.00 0.00 36.38 33.09 1wbd s VAL 315 CO 0.52 0.60 1.51 0.54 0.00 0.00 0.00 175.10 178.26 1wbd n ARG 316 N 1.98 2.73 -2.87 2.72 1.74 -0.51 -4.71 116.66 117.73 1wbd n ARG 316 Ca -0.18 -2.45 -0.43 0.00 -0.77 0.00 0.00 57.85 54.02 1wbd n ARG 316 Cb 0.54 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1wbd n ARG 316 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wbd s ASP 317 N -0.97 6.56 0.31 0.55 -1.08 -1.26 -4.93 116.67 115.85 1wbd s ASP 317 Ca 0.45 0.32 -0.00 0.00 -0.52 0.00 0.00 52.55 52.80 1wbd s ASP 317 Cb 0.25 -2.43 0.50 0.00 -1.46 0.00 0.00 42.92 39.78 1wbd s ASP 317 CO 0.29 -0.87 1.96 0.74 0.52 0.00 0.00 175.17 177.81 1wbd h THR 318 N 5.88 1.16 0.09 1.71 2.02 -2.00 -2.68 112.91 119.09 1wbd h THR 318 Ca -0.24 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1wbd h THR 318 Cb 1.08 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1wbd h THR 318 CO 0.97 0.19 -0.04 -0.09 0.37 0.00 0.00 175.52 176.92 1wbd h ARG 319 N 1.05 -0.11 -0.99 6.66 2.43 -1.99 -1.88 114.38 119.54 1wbd h ARG 319 Ca 0.32 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.65 1wbd h ARG 319 Cb -0.02 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.46 1wbd h ARG 319 CO -0.09 0.18 0.61 0.28 -1.51 0.00 0.00 179.97 179.44 1wbd h VAL 320 N -0.41 0.82 -0.23 0.20 2.07 -1.94 -0.75 116.25 116.01 1wbd h VAL 320 Ca -0.01 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 1wbd h VAL 320 Cb 0.35 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1wbd h VAL 320 CO 0.02 0.16 -0.50 -0.07 0.02 0.00 0.00 177.57 177.20 1wbd h LEU 321 N 0.88 0.84 -0.71 2.57 3.38 -1.30 -1.96 115.31 119.00 1wbd h LEU 321 Ca 0.53 -0.55 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1wbd h LEU 321 Cb 0.67 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1wbd h LEU 321 CO -0.32 1.24 -0.18 -0.07 0.09 0.00 0.00 178.44 179.20 1wbd h LEU 322 N 0.48 0.81 -0.88 1.67 3.38 -0.90 -1.06 115.31 118.81 1wbd h LEU 322 Ca 0.00 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1wbd h LEU 322 Cb 1.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1wbd h LEU 322 CO 0.11 0.98 0.06 -0.33 0.09 0.00 0.00 178.44 179.36 1wbd h GLU 323 N 0.71 0.89 -0.24 1.13 5.08 -1.09 -0.92 114.58 120.15 1wbd h GLU 323 Ca 0.11 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 1wbd h GLU 323 Cb 0.69 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1wbd h GLU 323 CO 0.05 0.85 -0.41 0.00 -1.00 0.00 0.00 179.01 178.50 1wbd h ARG 324 N 0.84 0.70 -0.57 2.33 3.08 -1.01 -2.01 114.38 117.73 1wbd h ARG 324 Ca 0.17 -0.43 0.04 0.00 0.07 0.00 0.00 59.98 59.83 1wbd h ARG 324 Cb 0.41 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 1wbd h ARG 324 CO 0.01 1.05 0.31 1.96 -1.07 0.00 0.00 179.97 182.24 1wbd h GLN 325 N 0.41 0.58 -0.02 0.04 4.20 -1.07 -2.22 115.11 117.04 1wbd h GLN 325 Ca 0.02 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1wbd h GLN 325 Cb 1.01 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 1wbd h GLN 325 CO 0.09 0.39 -0.06 1.96 -0.67 0.00 0.00 178.83 180.53 1wbd h GLN 326 N 0.60 -0.10 -0.99 1.46 4.20 -1.05 -1.87 115.11 117.35 1wbd h GLN 326 Ca 0.25 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.09 1wbd h GLN 326 Cb 0.12 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.84 1wbd h GLN 326 CO -0.15 -0.07 0.63 1.15 -0.67 0.00 0.00 178.83 179.72 1wbd h THR 327 N -0.10 0.92 -0.08 -0.54 2.02 -1.16 -1.52 112.91 112.45 1wbd h THR 327 Ca 0.03 -0.33 -0.20 0.00 0.77 0.00 0.00 66.41 66.68 1wbd h THR 327 Cb 0.15 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1wbd h THR 327 CO -0.08 0.18 -0.79 0.40 0.37 0.00 0.00 175.52 175.60 1wbd h ILE 328 N 0.97 1.36 -0.20 3.11 2.04 -0.78 -1.79 117.51 122.22 1wbd h ILE 328 Ca 0.49 -2.16 -0.13 0.00 1.00 0.00 0.00 64.86 64.06 1wbd h ILE 328 Cb 0.50 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1wbd h ILE 328 CO -0.26 0.66 -0.43 1.23 0.00 0.00 0.00 178.15 179.35 1wbd h GLY 329 N 1.08 0.52 1.85 5.37 0.00 -0.86 -3.13 103.07 107.89 1wbd h GLY 329 Ca -0.05 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.56 1wbd h GLY 329 CO 0.14 0.47 -0.89 0.00 0.00 0.00 0.00 176.54 176.26 1wbd h ALA 330 N 1.15 0.51 -0.01 3.60 0.00 -1.09 -3.25 119.26 120.17 1wbd h ALA 330 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1wbd h ALA 330 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wbd h ALA 330 CO 0.08 0.98 -0.31 1.28 0.00 0.00 0.00 179.25 181.27 1wbd n LEU 331 N -3.60 0.88 -0.34 0.00 4.77 -0.69 -4.44 117.00 113.58 1wbd n LEU 331 Ca -0.03 -0.19 0.19 0.00 -0.03 0.00 0.00 56.01 55.95 1wbd n LEU 331 Cb 0.83 -0.15 0.41 0.00 -2.33 0.00 0.00 43.42 42.17 1wbd n LEU 331 CO 0.47 0.17 1.14 -0.61 -1.33 0.00 0.00 177.39 177.23 1wbd h GLN 332 N 0.90 0.47 0.00 3.23 4.15 -1.58 0.10 115.11 122.37 1wbd h GLN 332 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1wbd h GLN 332 Cb 0.50 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1wbd h GLN 332 CO 0.00 0.31 -0.32 -0.25 -1.93 0.00 0.00 178.83 176.64 1wbd n ASP 333 N -4.96 0.66 -0.67 -0.69 8.00 -1.26 -3.96 116.55 113.67 1wbd n ASP 333 Ca 0.28 0.29 0.11 0.00 0.71 0.00 0.00 54.79 56.18 1wbd n ASP 333 Cb 0.82 -0.25 0.04 0.00 -0.02 0.00 0.00 41.12 41.71 1wbd n ASP 333 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wbd n PHE 334 N -2.05 0.00 -0.27 1.24 3.01 0.34 -4.61 117.46 115.13 1wbd n PHE 334 Ca 0.05 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.46 1wbd n PHE 334 Cb 0.42 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.95 1wbd n PHE 334 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1wbd h THR 335 N 3.27 1.21 -0.49 4.37 1.35 -1.65 -2.11 112.91 118.86 1wbd h THR 335 Ca 0.00 -0.48 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 1wbd h THR 335 Cb 0.81 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 1wbd h THR 335 CO 0.00 0.22 0.23 0.00 -0.25 0.00 0.00 175.52 175.72 1wbd h ALA 336 N 1.23 1.50 0.17 6.62 0.00 -1.89 -1.87 119.26 125.03 1wbd h ALA 336 Ca 0.26 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.77 1wbd h ALA 336 Cb -0.02 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wbd h ALA 336 CO -0.05 0.40 -1.34 0.78 0.00 0.00 0.00 179.25 179.05 1wbd h GLY 337 N 0.79 0.42 1.48 0.00 0.00 -1.84 -3.38 103.07 100.54 1wbd h GLY 337 Ca 0.17 -1.08 -0.27 0.00 0.00 0.00 0.00 47.33 46.15 1wbd h GLY 337 CO -0.02 0.95 -1.17 1.41 0.00 0.00 0.00 176.54 177.70 1wbd h LEU 338 N 0.10 0.60 0.12 3.11 3.38 -1.23 -3.37 115.31 118.02 1wbd h LEU 338 Ca -0.18 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 1wbd h LEU 338 Cb 2.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1wbd h LEU 338 CO 0.23 1.41 -0.06 1.56 0.09 0.00 0.00 178.44 181.67 1wbd h GLN 339 N 0.17 -0.15 -0.22 1.13 4.20 -1.52 0.16 115.11 118.89 1wbd h GLN 339 Ca -0.14 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.64 1wbd h GLN 339 Cb 1.86 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 1wbd h GLN 339 CO 0.21 0.10 0.21 -1.35 -0.67 0.00 0.00 178.83 177.33 1wbd h PRO 340 N -0.39 0.00 0.20 1.46 0.11 -1.76 -0.45 132.00 131.17 1wbd h PRO 340 Ca -0.02 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.78 1wbd h PRO 340 Cb 0.32 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.45 1wbd h PRO 340 CO 0.03 0.00 -1.46 0.28 -0.21 0.00 0.00 178.00 176.64 1wbd h VAL 341 N 0.00 1.16 -0.59 3.15 2.07 -1.64 -3.32 116.25 117.08 1wbd h VAL 341 Ca 0.10 -2.57 -0.02 0.00 0.82 0.00 0.00 66.70 65.04 1wbd h VAL 341 Cb 0.53 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1wbd h VAL 341 CO -0.00 0.80 0.30 -0.07 0.02 0.00 0.00 177.57 178.62 1wbd h LEU 342 N -0.01 0.73 -1.03 2.57 3.38 -0.28 -2.60 115.31 118.08 1wbd h LEU 342 Ca -0.28 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 57.77 1wbd h LEU 342 Cb 2.01 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 42.48 1wbd h LEU 342 CO 0.19 0.61 0.63 -0.09 0.09 0.00 0.00 178.44 179.87 1wbd h ARG 343 N 0.82 0.90 0.00 1.13 2.43 -1.21 -2.12 114.38 116.34 1wbd h ARG 343 Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1wbd h ARG 343 Cb 0.05 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1wbd h ARG 343 CO -0.03 0.59 0.00 1.96 -1.51 0.00 0.00 179.97 180.98 1wbd h GLN 344 N 0.92 0.00 0.00 0.20 1.08 -1.56 -2.10 115.11 113.65 1wbd h GLN 344 Ca 0.52 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.64 1wbd h GLN 344 Cb 0.61 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1wbd h GLN 344 CO -0.29 0.00 -0.34 0.28 -0.95 0.00 0.00 178.83 177.53 1wbd h VAL 345 N 0.00 1.08 -0.02 -0.54 2.07 -1.46 -3.39 116.25 113.99 1wbd h VAL 345 Ca 0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1wbd h VAL 345 Cb 0.48 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1wbd h VAL 345 CO 0.00 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1wbd n GLY 346 N -0.35 0.59 3.08 2.17 0.00 -0.79 -3.89 105.19 106.00 1wbd n GLY 346 Ca -0.02 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.81 6.08 -0.05 1.61 -0.08 -1.26 -4.59 116.55 116.45 1wbd n ASP 347 Ca 0.00 -3.29 -0.01 0.00 -1.51 0.00 0.00 54.79 49.98 1wbd n ASP 347 Cb 0.00 -1.32 0.27 0.00 2.34 0.00 0.00 41.12 42.40 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 6.04 0.60 -0.05 -2.67 5.85 -1.96 -3.14 115.31 119.98 1wbd h LEU 348 Ca 0.22 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1wbd h LEU 348 Cb 0.68 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1wbd h LEU 348 CO 1.29 0.62 -0.32 -0.08 -0.34 0.00 0.00 178.44 179.60 1wbd h GLU 349 N 0.62 -0.43 -0.35 1.25 4.81 -1.89 -1.19 114.58 117.40 1wbd h GLU 349 Ca 0.14 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1wbd h GLU 349 Cb 0.28 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1wbd h GLU 349 CO 0.00 -0.29 -0.13 0.00 -0.73 0.00 0.00 179.01 177.87 1wbd h ARG 350 N -0.45 0.62 -0.95 1.92 3.08 -1.68 -2.14 114.38 114.79 1wbd h ARG 350 Ca 0.07 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1wbd h ARG 350 Cb 0.56 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 1wbd h ARG 350 CO -0.30 0.73 0.62 0.82 -1.07 0.00 0.00 179.97 180.78 1wbd h ILE 351 N 0.57 1.25 0.00 2.04 2.04 -1.47 -1.99 117.51 119.95 1wbd h ILE 351 Ca 0.10 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1wbd h ILE 351 Cb 0.55 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1wbd h ILE 351 CO 0.03 0.24 -0.30 -0.07 0.00 0.00 0.00 178.15 178.05 1wbd h LEU 352 N 1.29 0.00 -0.18 1.44 3.38 -0.57 0.14 115.31 120.81 1wbd h LEU 352 Ca 0.35 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.16 1wbd h LEU 352 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1wbd h LEU 352 CO -0.07 0.30 -0.50 0.00 0.09 0.00 0.00 178.44 178.26 1wbd h ALA 353 N 1.70 0.30 -0.54 1.53 0.00 -1.07 -0.57 119.26 120.62 1wbd h ALA 353 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1wbd h ALA 353 Cb 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1wbd h ALA 353 CO 0.04 0.48 0.27 0.00 0.00 0.00 0.00 179.25 180.04 1wbd h ARG 354 N 0.34 0.74 -0.63 0.00 3.08 -0.81 0.46 114.38 117.57 1wbd h ARG 354 Ca -0.01 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1wbd h ARG 354 Cb 1.11 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1wbd h ARG 354 CO 0.11 0.57 0.20 1.25 -1.07 0.00 0.00 179.97 181.02 1wbd h LEU 355 N 0.75 0.91 -0.85 3.04 5.85 -0.59 0.82 115.31 125.24 1wbd h LEU 355 Ca 0.19 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1wbd h LEU 355 Cb 0.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1wbd h LEU 355 CO -0.03 0.87 0.09 0.00 -0.34 0.00 0.00 178.44 179.04 1wbd h ALA 356 N 1.07 1.05 -0.00 1.25 0.00 -0.33 -2.59 119.26 119.71 1wbd h ALA 356 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wbd h ALA 356 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wbd h ALA 356 CO -0.01 0.61 -0.07 1.28 0.00 0.00 0.00 179.25 181.06 1wbd n LEU 357 N -4.23 0.56 -1.23 0.00 4.77 0.08 -4.62 117.00 112.34 1wbd n LEU 357 Ca 0.04 -0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1wbd n LEU 357 Cb 0.27 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1wbd n LEU 357 CO 0.42 0.10 -0.14 0.54 -1.33 0.00 0.00 177.39 176.98 1wbd n ARG 358 N -0.77 -0.88 0.00 3.23 1.74 -0.26 -4.87 116.66 114.84 1wbd n ARG 358 Ca 0.17 0.60 0.05 0.00 -0.77 0.00 0.00 57.85 57.89 1wbd n ARG 358 Cb 0.26 -4.70 0.01 0.00 -1.02 0.00 0.00 32.46 27.00 1wbd n ARG 358 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1wbd n THR 359 N -3.82 0.00 -1.93 0.55 -1.04 0.12 -5.02 114.28 103.14 1wbd n THR 359 Ca -0.13 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.05 61.05 1wbd n THR 359 Cb 0.57 1.13 -0.02 0.00 -1.82 0.00 0.00 70.33 70.19 1wbd n THR 359 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wbd s ALA 360 N -1.21 3.64 0.56 2.41 0.00 -0.88 -4.96 121.76 121.32 1wbd s ALA 360 Ca 0.08 1.42 -0.02 0.00 0.00 0.00 0.00 51.96 53.45 1wbd s ALA 360 Cb 0.08 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1wbd s ALA 360 CO 0.21 -0.84 0.81 1.03 0.00 0.00 0.00 175.76 176.97 1wbd s ARG 361 N -0.77 2.71 0.28 0.00 0.52 -1.26 -4.97 118.95 115.45 1wbd s ARG 361 Ca 0.59 -0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 55.33 1wbd s ARG 361 Cb -0.44 -2.41 0.42 0.00 0.52 0.00 0.00 34.95 33.05 1wbd s ARG 361 CO 0.48 -0.68 1.90 -1.35 0.02 0.00 0.00 175.30 175.68 1wbd h PRO 362 N -0.00 1.13 0.00 3.54 0.11 -1.80 -0.95 132.00 134.02 1wbd h PRO 362 Ca -0.44 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1wbd h PRO 362 Cb 1.28 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1wbd h PRO 362 CO 0.57 0.75 0.00 0.00 -0.21 0.00 0.00 178.00 179.10 1wbd h ARG 363 N 1.16 0.00 -0.16 1.05 3.08 -1.82 -1.96 114.38 115.73 1wbd h ARG 363 Ca 0.41 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.37 1wbd h ARG 363 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1wbd h ARG 363 CO -0.15 0.00 -0.22 -0.44 -1.07 0.00 0.00 179.97 178.09 1wbd h ASP 364 N 0.00 0.48 -0.15 7.04 3.32 -1.55 -1.27 116.42 124.28 1wbd h ASP 364 Ca 0.00 -0.51 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 1wbd h ASP 364 Cb 0.41 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1wbd h ASP 364 CO 0.00 0.89 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.29 1wbd h LEU 365 N 0.07 0.42 -0.52 1.55 3.38 -1.28 0.17 115.31 119.09 1wbd h LEU 365 Ca 0.02 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1wbd h LEU 365 Cb 0.78 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1wbd h LEU 365 CO 0.05 0.53 -0.04 0.00 0.09 0.00 0.00 178.44 179.07 1wbd h ALA 366 N 1.52 0.70 -0.00 1.53 0.00 -1.32 0.13 119.26 121.82 1wbd h ALA 366 Ca 0.09 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1wbd h ALA 366 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1wbd h ALA 366 CO 0.02 0.56 -0.73 0.00 0.00 0.00 0.00 179.25 179.10 1wbd h ARG 367 N 0.81 0.04 -0.45 0.00 3.08 -0.93 -1.34 114.38 115.59 1wbd h ARG 367 Ca 0.14 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1wbd h ARG 367 Cb 0.59 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1wbd h ARG 367 CO 0.04 0.75 0.09 1.98 -1.07 0.00 0.00 179.97 181.75 1wbd h MET 368 N 0.02 0.74 -0.27 0.04 4.05 -0.47 -1.40 114.93 117.64 1wbd h MET 368 Ca -0.01 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.21 1wbd h MET 368 Cb 1.29 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.99 1wbd h MET 368 CO 0.10 0.75 0.13 -0.09 0.23 0.00 0.00 176.91 178.03 1wbd h ARG 369 N 0.61 0.38 -0.87 0.39 2.43 -0.66 -1.74 114.38 114.92 1wbd h ARG 369 Ca 0.14 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1wbd h ARG 369 Cb 0.36 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 1wbd h ARG 369 CO 0.01 0.37 0.54 1.25 -1.51 0.00 0.00 179.97 180.62 1wbd h HIS 370 N 0.31 1.00 0.16 2.20 2.76 -1.18 -2.20 115.15 118.19 1wbd h HIS 370 Ca 0.09 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1wbd h HIS 370 Cb 0.11 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.75 1wbd h HIS 370 CO -0.02 0.50 -0.08 0.00 -1.30 0.00 0.00 177.93 177.03 1wbd h ALA 371 N 1.41 -0.22 -0.89 5.26 0.00 -0.98 -2.14 119.26 121.70 1wbd h ALA 371 Ca 0.38 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.42 1wbd h ALA 371 Cb 0.19 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1wbd h ALA 371 CO -0.18 -0.57 0.60 0.74 0.00 0.00 0.00 179.25 179.84 1wbd h PHE 372 N -0.31 0.42 0.00 0.00 0.04 -1.01 -0.09 116.94 115.99 1wbd h PHE 372 Ca -0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1wbd h PHE 372 Cb 0.24 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1wbd h PHE 372 CO -0.04 0.11 0.00 1.04 -0.60 0.00 0.00 178.31 178.82 1wbd n GLN 373 N -4.46 0.01 0.01 1.51 6.02 -0.81 -2.47 117.38 117.18 1wbd n GLN 373 Ca 0.19 0.19 0.11 0.00 -0.01 0.00 0.00 57.00 57.47 1wbd n GLN 373 Cb 0.75 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.49 0.24 -0.13 -1.09 1.13 -0.05 -4.56 117.38 111.43 1wbd n GLN 374 Ca 0.05 -0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 54.98 1wbd n GLN 374 Cb 0.21 -1.55 0.04 0.00 0.11 0.00 0.00 30.24 29.05 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 0.92 -0.73 1.08 3.38 -1.50 -1.43 115.31 117.02 1wbd h LEU 375 Ca 0.00 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1wbd h LEU 375 Cb 0.69 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1wbd h LEU 375 CO 0.00 1.10 0.35 -0.65 0.09 0.00 0.00 178.44 179.33 1wbd h PRO 376 N 0.77 1.05 -0.42 1.13 0.11 -1.80 0.16 132.00 133.01 1wbd h PRO 376 Ca 0.10 -0.16 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1wbd h PRO 376 Cb 0.77 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1wbd h PRO 376 CO 0.06 0.82 -0.07 1.49 -0.21 0.00 0.00 178.00 180.10 1wbd h GLU 377 N 1.02 0.71 0.03 1.05 4.57 -1.77 -1.13 114.58 119.07 1wbd h GLU 377 Ca 0.25 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1wbd h GLU 377 Cb 0.12 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1wbd h GLU 377 CO -0.03 0.77 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.49 1wbd h LEU 378 N 0.66 -0.04 -0.64 1.64 3.38 -1.08 -1.90 115.31 117.33 1wbd h LEU 378 Ca 0.12 -0.43 0.13 0.00 0.09 0.00 0.00 57.88 57.79 1wbd h LEU 378 Cb 0.51 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 1wbd h LEU 378 CO 0.03 0.42 -0.17 0.03 0.09 0.00 0.00 178.44 178.84 1wbd h ARG 379 N -0.51 -0.01 -0.28 1.13 3.08 -0.65 -1.33 114.38 115.81 1wbd h ARG 379 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1wbd h ARG 379 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1wbd h ARG 379 CO 0.01 -0.00 0.12 0.00 -1.07 0.00 0.00 179.97 179.03 1wbd h ALA 380 N 1.63 0.37 -0.14 0.04 0.00 -1.10 -2.33 119.26 117.74 1wbd h ALA 380 Ca 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1wbd h ALA 380 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wbd h ALA 380 CO -0.67 -0.05 -0.02 1.96 0.00 0.00 0.00 179.25 180.47 1wbd h GLN 381 N 0.31 0.19 0.00 0.00 4.20 -0.79 -3.01 115.11 116.02 1wbd h GLN 381 Ca 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1wbd h GLN 381 Cb 0.15 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1wbd h GLN 381 CO -0.01 0.24 -0.77 1.28 -0.67 0.00 0.00 178.83 178.90 1wbd n LEU 382 N -4.39 0.66 -0.30 1.46 4.77 -0.55 -4.12 117.00 114.53 1wbd n LEU 382 Ca -0.01 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1wbd n LEU 382 Cb 0.17 -0.15 0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1wbd n LEU 382 CO 0.36 -0.02 1.20 -0.08 -1.33 0.00 0.00 177.39 177.52 1wbd h GLU 383 N 0.00 0.98 0.00 3.23 4.81 -1.28 -2.83 114.58 119.49 1wbd h GLU 383 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1wbd h GLU 383 Cb 0.74 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1wbd h GLU 383 CO 0.00 0.65 -0.16 0.00 -0.73 0.00 0.00 179.01 178.77 1wbd h THR 384 N 1.01 0.36 -2.65 0.32 1.03 -1.74 -3.42 112.91 107.82 1wbd h THR 384 Ca 0.33 -1.06 -0.54 0.00 -0.01 0.00 0.00 66.41 65.13 1wbd h THR 384 Cb 0.03 1.80 -0.06 0.00 -1.07 0.00 0.00 68.15 68.85 1wbd h THR 384 CO -0.12 0.16 1.15 -0.69 -0.01 0.00 0.00 175.52 176.01 1wbd s VAL 385 N -3.52 3.69 -0.68 0.00 1.01 -1.07 -4.95 120.40 114.88 1wbd s VAL 385 Ca 0.02 0.57 -0.27 0.00 0.00 0.00 0.00 61.98 62.30 1wbd s VAL 385 Cb 0.09 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1wbd s VAL 385 CO 0.63 -1.12 1.41 -0.62 0.00 0.00 0.00 175.10 175.40 1wbd s ASP 386 N 5.07 6.00 -0.30 3.32 2.15 -1.26 -4.72 116.67 126.92 1wbd s ASP 386 Ca 0.55 -0.16 -0.13 0.00 0.43 0.00 0.00 52.55 53.24 1wbd s ASP 386 Cb -0.12 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.13 1wbd s ASP 386 CO 0.24 -1.91 1.05 -0.55 -0.17 0.00 0.00 175.17 173.83 1wbd s SER 387 N 4.65 -0.46 0.25 -0.34 0.15 -1.26 -5.00 113.70 111.68 1wbd s SER 387 Ca 0.44 0.32 -0.04 0.00 0.70 0.00 0.00 55.95 57.38 1wbd s SER 387 Cb -0.09 1.40 0.40 0.00 -1.71 0.00 0.00 66.02 66.02 1wbd s SER 387 CO 0.18 -0.09 1.82 0.00 1.20 0.00 0.00 173.24 176.35 1wbd h ALA 388 N 7.92 1.21 -0.91 5.45 0.00 -1.99 -2.23 119.26 128.71 1wbd h ALA 388 Ca -0.14 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1wbd h ALA 388 Cb 1.17 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1wbd h ALA 388 CO -0.07 0.13 0.60 -1.35 0.00 0.00 0.00 179.25 178.56 1wbd h PRO 389 N 0.83 1.10 -0.59 0.00 0.11 -1.98 0.34 132.00 131.82 1wbd h PRO 389 Ca 0.40 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.39 1wbd h PRO 389 Cb 0.35 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1wbd h PRO 389 CO -0.24 0.73 0.16 0.28 -0.21 0.00 0.00 178.00 178.72 1wbd h VAL 390 N 1.14 1.25 -0.35 3.15 2.07 -1.80 -2.63 116.25 119.07 1wbd h VAL 390 Ca 0.36 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1wbd h VAL 390 Cb 0.02 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1wbd h VAL 390 CO -0.11 0.33 -0.14 1.56 0.02 0.00 0.00 177.57 179.23 1wbd h GLN 391 N 0.84 0.63 -0.64 1.57 1.08 -0.93 0.37 115.11 118.03 1wbd h GLN 391 Ca 0.19 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1wbd h GLN 391 Cb 0.33 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1wbd h GLN 391 CO -0.00 0.75 0.26 0.00 -0.95 0.00 0.00 178.83 178.88 1wbd h ALA 392 N 1.28 1.25 -0.02 3.87 0.00 -0.85 -1.02 119.26 123.78 1wbd h ALA 392 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wbd h ALA 392 Cb 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wbd h ALA 392 CO 0.04 0.55 -0.05 -0.07 0.00 0.00 0.00 179.25 179.72 1wbd h LEU 393 N 0.92 0.07 -0.92 0.00 3.38 -1.05 -1.88 115.31 115.84 1wbd h LEU 393 Ca 0.22 -0.60 0.26 0.00 0.09 0.00 0.00 57.88 57.85 1wbd h LEU 393 Cb 0.17 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.75 1wbd h LEU 393 CO -0.02 0.66 0.23 -0.09 0.09 0.00 0.00 178.44 179.31 1wbd h ARG 394 N -0.52 0.14 -0.12 1.13 2.43 -0.87 0.48 114.38 117.05 1wbd h ARG 394 Ca -0.00 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1wbd h ARG 394 Cb 0.66 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1wbd h ARG 394 CO 0.01 0.09 -0.27 1.49 -1.51 0.00 0.00 179.97 179.78 1wbd h GLU 395 N 0.15 0.40 -0.14 0.20 4.57 -1.15 -3.29 114.58 115.32 1wbd h GLU 395 Ca 0.60 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 58.42 1wbd h GLU 395 Cb 1.27 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 1wbd h GLU 395 CO -0.72 0.88 -0.32 -0.22 -1.18 0.00 0.00 179.01 177.44 1wbd h LYS 396 N -0.01 0.27 0.00 1.92 3.64 -0.49 -2.28 116.57 119.62 1wbd h LYS 396 Ca 0.00 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1wbd h LYS 396 Cb 0.87 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1wbd h LYS 396 CO 0.06 0.57 -0.03 0.00 -2.27 0.00 0.00 179.45 177.78 1wbd h MET 397 N 0.24 0.00 0.00 1.90 -0.00 -1.01 -3.28 114.93 112.79 1wbd h MET 397 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1wbd h MET 397 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 1wbd h MET 397 CO 0.05 0.03 0.00 0.41 -0.00 0.00 0.00 176.91 177.41 1wbd n GLY 398 N -0.81 0.25 1.56 -3.00 0.00 -0.86 -4.67 105.19 97.66 1wbd n GLY 398 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1wbd n GLY 398 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wbd n GLU 399 N 0.00 0.00 -3.43 1.61 2.13 -1.26 -4.92 120.64 114.77 1wbd n GLU 399 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1wbd n GLU 399 Cb 0.00 -0.02 0.09 0.00 0.27 0.00 0.00 31.44 31.78 1wbd n GLU 399 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1wbd n PHE 400 N -2.28 -2.20 -0.18 4.31 3.72 -1.26 -4.87 117.46 114.70 1wbd n PHE 400 Ca 0.00 0.94 -0.03 0.00 -0.05 0.00 0.00 57.45 58.31 1wbd n PHE 400 Cb 0.00 -5.05 0.07 0.00 -0.94 0.00 0.00 39.48 33.57 1wbd n PHE 400 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wbd h ALA 401 N 0.87 0.71 -0.67 4.37 0.00 -1.98 -1.82 119.26 120.73 1wbd h ALA 401 Ca -0.59 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1wbd h ALA 401 Cb 1.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1wbd h ALA 401 CO 0.50 -0.12 0.30 0.93 0.00 0.00 0.00 179.25 180.86 1wbd h GLU 402 N 0.48 0.97 0.09 0.00 5.08 -2.00 -1.79 114.58 117.40 1wbd h GLU 402 Ca 0.26 -0.14 -0.27 0.00 -1.00 0.00 0.00 59.36 58.21 1wbd h GLU 402 Cb 0.23 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 29.32 1wbd h GLU 402 CO -0.21 0.76 -1.16 -0.07 -1.00 0.00 0.00 179.01 177.33 1wbd h LEU 403 N 0.96 0.68 -0.34 1.33 3.38 -1.87 -1.83 115.31 117.61 1wbd h LEU 403 Ca 0.23 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1wbd h LEU 403 Cb 0.13 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1wbd h LEU 403 CO -0.03 1.44 0.13 -0.09 0.09 0.00 0.00 178.44 179.98 1wbd h ARG 404 N 0.22 0.27 -0.57 1.13 2.43 -1.21 -1.99 114.38 114.65 1wbd h ARG 404 Ca -0.14 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1wbd h ARG 404 Cb 1.83 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.29 1wbd h ARG 404 CO 0.21 0.18 0.37 0.22 -1.51 0.00 0.00 179.97 179.43 1wbd h ASP 405 N 0.28 0.62 -0.25 -3.80 3.58 -1.29 -1.53 116.42 114.03 1wbd h ASP 405 Ca 0.15 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.63 1wbd h ASP 405 Cb 0.12 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 1wbd h ASP 405 CO -0.15 0.45 -0.01 0.25 -2.88 0.00 0.00 179.24 176.90 1wbd h LEU 406 N 0.74 -0.12 -0.98 2.28 5.85 -1.00 -1.61 115.31 120.48 1wbd h LEU 406 Ca 0.22 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 1wbd h LEU 406 Cb -0.05 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1wbd h LEU 406 CO -0.06 -0.03 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.57 1wbd h LEU 407 N 0.06 0.00 -0.64 2.25 3.38 -1.14 -1.03 115.31 118.18 1wbd h LEU 407 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1wbd h LEU 407 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wbd h LEU 407 CO -0.21 0.37 -0.26 -0.33 0.09 0.00 0.00 178.44 178.11 1wbd h GLU 408 N 0.00 0.79 0.00 1.13 5.08 -0.72 -2.90 114.58 117.95 1wbd h GLU 408 Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1wbd h GLU 408 Cb 0.87 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1wbd h GLU 408 CO 0.05 0.96 -0.35 0.00 -1.00 0.00 0.00 179.01 178.66 1wbd h ARG 409 N 0.68 0.00 0.00 2.33 3.08 -1.09 -3.39 114.38 115.99 1wbd h ARG 409 Ca 0.09 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.78 1wbd h ARG 409 Cb 0.78 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.77 1wbd h ARG 409 CO 0.06 0.00 -2.33 0.00 -1.07 0.00 0.00 179.97 176.64 1wbd n ALA 410 N -2.03 1.52 -2.56 0.04 0.00 -0.41 -4.37 120.51 112.70 1wbd n ALA 410 Ca 0.03 -1.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.01 1wbd n ALA 410 Cb 0.51 -0.14 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 1wbd n ALA 410 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wbd s ILE 411 N -2.47 1.53 1.08 0.00 1.01 -1.10 -1.60 121.20 119.65 1wbd s ILE 411 Ca -0.13 -1.33 -0.18 0.00 0.00 0.00 0.00 60.65 59.01 1wbd s ILE 411 Cb 0.06 -1.38 0.24 0.00 0.01 0.00 0.00 42.46 41.39 1wbd s ILE 411 CO 0.75 0.00 1.22 0.27 0.00 0.00 0.00 174.94 177.18 1wbd s ILE 412 N -1.03 1.80 0.03 2.92 -4.36 -0.93 -4.67 121.20 114.96 1wbd s ILE 412 Ca 0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 60.65 60.17 1wbd s ILE 412 Cb -0.09 -2.75 -0.17 0.00 1.25 0.00 0.00 42.46 40.70 1wbd s ILE 412 CO 0.03 0.00 1.40 0.44 0.24 0.00 0.00 174.94 177.04 1wbd h ASP 413 N -2.10 -0.41 -3.92 4.36 3.32 -1.94 -3.36 116.42 112.36 1wbd h ASP 413 Ca -0.45 -0.10 -0.64 0.00 0.02 0.00 0.00 57.03 55.86 1wbd h ASP 413 Cb 1.27 0.11 -0.40 0.00 0.22 0.00 0.00 39.33 40.52 1wbd h ASP 413 CO 0.36 -0.13 -0.69 0.42 -1.72 0.00 0.00 179.24 177.49 1wbd s THR 414 N -5.20 2.21 0.77 0.35 -4.23 -1.26 -5.04 115.64 103.24 1wbd s THR 414 Ca -0.15 -2.71 -0.11 0.00 -1.18 0.00 0.00 61.69 57.53 1wbd s THR 414 Cb 0.03 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.34 1wbd s THR 414 CO 0.58 -0.72 1.10 -2.16 -0.54 0.00 0.00 174.62 172.88 1wbd s PRO 415 N 0.39 2.30 0.91 3.99 0.04 -1.26 -5.06 135.00 136.31 1wbd s PRO 415 Ca 0.14 0.56 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 1wbd s PRO 415 Cb -0.22 -1.95 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1wbd s PRO 415 CO -0.05 -1.45 1.12 -1.25 0.04 0.00 0.00 177.00 175.40 1wbd s PRO 416 N -5.24 1.15 0.37 0.56 0.04 -1.26 -4.79 135.00 125.83 1wbd s PRO 416 Ca 0.60 0.44 0.06 0.00 0.04 0.00 0.00 61.00 62.14 1wbd s PRO 416 Cb -0.13 -1.83 0.73 0.00 0.04 0.00 0.00 34.50 33.31 1wbd s PRO 416 CO 0.53 -2.22 1.94 0.28 0.04 0.00 0.00 177.00 177.57 1wbd h VAL 417 N -1.52 1.16 -3.28 -0.36 2.07 -1.97 -3.39 116.25 108.96 1wbd h VAL 417 Ca -0.51 -0.60 -0.55 0.00 0.82 0.00 0.00 66.70 65.87 1wbd h VAL 417 Cb 1.32 0.88 -0.18 0.00 -1.52 0.00 0.00 31.29 31.79 1wbd h VAL 417 CO 0.60 0.21 -0.79 -0.76 0.02 0.00 0.00 177.57 176.85 1wbd s LEU 418 N -9.12 2.44 0.20 2.57 1.43 -1.26 -4.19 118.68 110.74 1wbd s LEU 418 Ca -0.07 -0.86 0.26 0.00 -1.03 0.00 0.00 54.13 52.42 1wbd s LEU 418 Cb 0.16 -0.89 0.68 0.00 0.03 0.00 0.00 46.19 46.17 1wbd s LEU 418 CO 0.75 -0.01 1.66 -0.37 0.23 0.00 0.00 176.35 178.61 1wbd h VAL 419 N 3.25 0.00 -0.95 -1.59 -1.51 -1.90 -3.40 116.25 110.15 1wbd h VAL 419 Ca -0.43 -0.50 0.14 0.00 -1.23 0.00 0.00 66.70 64.68 1wbd h VAL 419 Cb 1.21 1.40 -0.08 0.00 -2.13 0.00 0.00 31.29 31.69 1wbd h VAL 419 CO 0.50 0.00 0.60 -0.09 -1.23 0.00 0.00 177.57 177.36 1wbd h ARG 420 N 0.00 0.81 -0.42 5.19 2.43 -1.99 -1.33 114.38 119.07 1wbd h ARG 420 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1wbd h ARG 420 Cb 0.75 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1wbd h ARG 420 CO 0.00 0.53 0.00 -0.25 -1.51 0.00 0.00 179.97 178.74 1wbd n ASP 421 N -4.61 3.07 -0.03 -3.80 8.00 -1.26 -5.07 116.55 112.84 1wbd n ASP 421 Ca 0.19 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.74 1wbd n ASP 421 Cb 0.43 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.43 0.05 2.06 0.44 0.00 -0.50 -4.97 105.19 103.69 1wbd n GLY 422 Ca 0.19 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 0.33 0.93 -0.02 0.00 -1.26 -4.84 105.19 100.33 1wbd n GLY 423 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 1wbd n GLY 423 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wbd n VAL 424 N -3.65 0.90 -2.13 1.61 0.31 -1.26 -4.36 118.33 109.75 1wbd n VAL 424 Ca -0.04 0.24 -0.41 0.00 -0.01 0.00 0.00 64.34 64.12 1wbd n VAL 424 Cb 0.53 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.81 1wbd n VAL 424 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1wbd s ILE 425 N -2.09 2.86 0.59 2.52 -1.09 -1.26 -2.20 121.20 120.54 1wbd s ILE 425 Ca -0.04 0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 59.09 1wbd s ILE 425 Cb 0.01 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.38 1wbd s ILE 425 CO 0.05 0.15 0.93 0.00 -1.23 0.00 0.00 174.94 174.84 1wbd s ALA 426 N -0.46 3.22 0.38 9.38 0.00 -0.62 -4.76 121.76 128.89 1wbd s ALA 426 Ca 0.54 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 1wbd s ALA 426 Cb -0.39 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 1wbd s ALA 426 CO 0.46 -0.75 1.23 -1.12 0.00 0.00 0.00 175.76 175.58 1wbd s SER 427 N -4.25 6.56 0.00 0.00 0.01 -1.26 -3.48 113.70 111.28 1wbd s SER 427 Ca 0.53 2.51 0.00 0.00 1.31 0.00 0.00 55.95 60.30 1wbd s SER 427 Cb -0.11 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1wbd s SER 427 CO 0.48 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1wbd n GLY 428 N 0.73 2.80 0.12 3.44 0.00 -1.26 -4.95 105.19 106.08 1wbd n GLY 428 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 0.61 -3.27 1.61 3.20 -1.76 -3.44 116.97 113.92 1wbd h TYR 429 Ca 0.00 -0.44 -0.44 0.00 3.14 0.00 0.00 58.73 60.98 1wbd h TYR 429 Cb 0.00 -0.02 -0.37 0.00 1.54 0.00 0.00 36.73 37.87 1wbd h TYR 429 CO 0.00 1.44 -0.77 1.21 -1.64 0.00 0.00 178.16 178.39 1wbd s ASN 430 N -7.11 1.59 0.13 -2.11 3.84 -1.26 -5.05 114.94 104.96 1wbd s ASN 430 Ca -0.15 -0.11 -0.10 0.00 0.21 0.00 0.00 52.86 52.71 1wbd s ASN 430 Cb 0.03 -0.49 -0.07 0.00 -0.55 0.00 0.00 41.25 40.17 1wbd s ASN 430 CO 0.84 -0.17 1.39 1.05 -2.79 0.00 0.00 177.10 177.42 1wbd h GLU 431 N 8.19 0.78 -0.79 0.43 4.11 -1.99 -2.69 114.58 122.63 1wbd h GLU 431 Ca -0.23 -0.55 0.14 0.00 0.07 0.00 0.00 59.36 58.80 1wbd h GLU 431 Cb 1.13 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1wbd h GLU 431 CO 0.30 1.17 0.52 1.49 0.07 0.00 0.00 179.01 182.56 1wbd h GLU 432 N 0.58 0.49 -0.08 1.06 4.81 -2.00 -2.08 114.58 117.37 1wbd h GLU 432 Ca -0.01 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1wbd h GLU 432 Cb 1.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1wbd h GLU 432 CO 0.13 0.32 -0.19 1.25 -0.73 0.00 0.00 179.01 179.79 1wbd h LEU 433 N 0.50 0.30 -1.75 1.64 5.85 -1.91 -2.69 115.31 117.26 1wbd h LEU 433 Ca 0.39 -0.59 0.10 0.00 0.84 0.00 0.00 57.88 58.61 1wbd h LEU 433 Cb 0.79 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1wbd h LEU 433 CO -0.14 0.84 0.35 0.44 -0.34 0.00 0.00 178.44 179.59 1wbd h ASP 434 N -0.22 0.26 -0.08 1.25 3.32 -1.22 -0.30 116.42 119.43 1wbd h ASP 434 Ca -0.00 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1wbd h ASP 434 Cb 0.80 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1wbd h ASP 434 CO 0.04 0.16 -0.41 -0.08 -1.72 0.00 0.00 179.24 177.23 1wbd h GLU 435 N 0.29 0.61 0.03 3.56 4.81 -1.29 -1.73 114.58 120.87 1wbd h GLU 435 Ca 0.24 -0.32 -0.24 0.00 -0.13 0.00 0.00 59.36 58.91 1wbd h GLU 435 Cb 0.56 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.95 1wbd h GLU 435 CO -0.05 0.91 -1.03 -1.49 -0.73 0.00 0.00 179.01 176.62 1wbd h TRP 436 N 0.50 0.64 -0.24 0.92 4.06 -0.97 -3.11 115.95 117.76 1wbd h TRP 436 Ca 0.04 -0.37 -0.14 0.00 2.06 0.00 0.00 58.89 60.47 1wbd h TRP 436 Cb 0.92 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.01 1wbd h TRP 436 CO 0.04 1.21 -0.44 0.00 -3.56 0.00 0.00 178.44 175.69 1wbd h ARG 437 N 0.21 0.59 0.00 0.49 3.08 -1.11 -2.97 114.38 114.67 1wbd h ARG 437 Ca -0.10 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.59 1wbd h ARG 437 Cb 1.68 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 1wbd h ARG 437 CO 0.18 0.91 -0.20 0.00 -1.07 0.00 0.00 179.97 179.79 1wbd h ALA 438 N 1.04 1.12 0.02 0.04 0.00 -1.35 -2.51 119.26 117.61 1wbd h ALA 438 Ca 0.03 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 1wbd h ALA 438 Cb 0.96 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1wbd h ALA 438 CO 0.09 0.25 -1.07 -0.07 0.00 0.00 0.00 179.25 178.45 1wbd h LEU 439 N 0.00 0.05 -4.25 0.00 4.07 -1.48 -1.52 115.31 112.18 1wbd h LEU 439 Ca -0.00 -0.06 -0.68 0.00 0.08 0.00 0.00 57.88 57.22 1wbd h LEU 439 Cb 0.60 -0.02 -0.27 0.00 1.08 0.00 0.00 40.66 42.05 1wbd h LEU 439 CO 0.03 1.05 0.90 0.00 -1.08 0.00 0.00 178.44 179.33 1wbd n ALA 440 N -2.38 6.34 0.00 1.53 0.00 -0.98 -4.20 120.51 120.81 1wbd n ALA 440 Ca -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.87 1wbd n ALA 440 Cb 0.96 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1wbd n ALA 440 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wbd n ASP 441 N -0.72 0.00 -2.97 0.00 2.03 -0.99 -4.81 116.55 109.09 1wbd n ASP 441 Ca 0.59 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.58 1wbd n ASP 441 Cb 0.54 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.88 1wbd n ASP 441 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wbd n GLY 442 N -0.04 4.19 2.02 0.27 0.00 -0.57 -4.15 105.19 106.91 1wbd n GLY 442 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1wbd n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbd n ALA 443 N 2.67 2.64 -0.32 4.61 0.00 -1.26 -4.49 120.51 124.37 1wbd n ALA 443 Ca 0.64 0.00 0.08 0.00 0.00 0.00 0.00 53.44 54.17 1wbd n ALA 443 Cb 0.42 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.11 1wbd n ALA 443 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1wbd h THR 444 N 0.00 0.76 -0.20 0.00 1.35 -1.90 -2.13 112.91 110.79 1wbd h THR 444 Ca 0.00 -0.25 -0.12 0.00 -0.55 0.00 0.00 66.41 65.49 1wbd h THR 444 Cb 0.00 -0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.39 1wbd h THR 444 CO 0.00 0.13 -0.38 -2.24 -0.25 0.00 0.00 175.52 172.78 1wbd h ASP 445 N 0.72 0.46 -0.35 5.36 2.03 -1.87 -3.17 116.42 119.59 1wbd h ASP 445 Ca 0.49 -0.19 -0.12 0.00 -0.73 0.00 0.00 57.03 56.48 1wbd h ASP 445 Cb 0.67 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.03 1wbd h ASP 445 CO -0.35 0.80 -0.24 0.22 -1.03 0.00 0.00 179.24 178.64 1wbd h TYR 446 N 0.37 0.93 0.00 4.15 5.03 -1.63 -2.92 116.97 122.90 1wbd h TYR 446 Ca 0.04 -0.25 -0.05 0.00 2.58 0.00 0.00 58.73 61.05 1wbd h TYR 446 Cb 0.84 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 1wbd h TYR 446 CO 0.03 1.01 -0.22 -0.07 -1.32 0.00 0.00 178.16 177.59 1wbd h LEU 447 N 0.58 0.00 -0.07 2.82 3.38 -1.48 -1.58 115.31 118.95 1wbd h LEU 447 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1wbd h LEU 447 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1wbd h LEU 447 CO 0.07 0.22 -0.24 -0.08 0.09 0.00 0.00 178.44 178.50 1wbd h GLU 448 N 0.00 0.29 -0.07 1.13 4.57 -1.51 -1.90 114.58 117.09 1wbd h GLU 448 Ca -0.00 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 1wbd h GLU 448 Cb 0.44 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1wbd h GLU 448 CO 0.03 0.85 -0.33 0.00 -1.18 0.00 0.00 179.01 178.37 1wbd h ARG 449 N -0.22 0.13 -0.12 1.92 3.08 -1.31 -1.08 114.38 116.78 1wbd h ARG 449 Ca -0.01 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 1wbd h ARG 449 Cb 0.88 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1wbd h ARG 449 CO 0.05 0.45 -0.66 1.25 -1.07 0.00 0.00 179.97 179.99 1wbd h LEU 450 N 0.11 0.57 0.15 3.04 5.85 -1.35 -0.59 115.31 123.09 1wbd h LEU 450 Ca 0.01 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1wbd h LEU 450 Cb 0.65 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1wbd h LEU 450 CO 0.05 1.08 -0.07 -0.08 -0.34 0.00 0.00 178.44 179.07 1wbd h GLU 451 N 0.35 -0.19 -0.52 1.25 4.81 -0.47 -1.90 114.58 117.91 1wbd h GLU 451 Ca -0.02 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1wbd h GLU 451 Cb 1.23 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1wbd h GLU 451 CO 0.12 -0.06 -0.12 0.28 -0.73 0.00 0.00 179.01 178.50 1wbd h VAL 452 N -0.27 1.27 -0.38 0.32 2.07 -1.22 0.08 116.25 118.11 1wbd h VAL 452 Ca -0.02 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1wbd h VAL 452 Cb 0.22 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1wbd h VAL 452 CO 0.03 0.45 0.14 -0.09 0.02 0.00 0.00 177.57 178.12 1wbd h ARG 453 N 0.87 0.58 0.04 1.57 2.43 -1.08 -2.14 114.38 116.67 1wbd h ARG 453 Ca 0.13 -0.11 -0.23 0.00 -0.81 0.00 0.00 59.98 58.96 1wbd h ARG 453 Cb 0.68 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1wbd h ARG 453 CO 0.05 0.57 -1.03 0.93 -1.51 0.00 0.00 179.97 178.98 1wbd h GLU 454 N 0.47 0.18 -0.41 0.20 4.39 -1.16 -1.43 114.58 116.83 1wbd h GLU 454 Ca 0.13 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.60 1wbd h GLU 454 Cb 0.22 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1wbd h GLU 454 CO -0.01 1.06 0.21 -0.09 -1.16 0.00 0.00 179.01 179.02 1wbd h ARG 455 N 0.08 0.41 -0.10 2.33 2.43 -0.92 -2.08 114.38 116.52 1wbd h ARG 455 Ca -0.07 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.84 1wbd h ARG 455 Cb 1.72 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 31.19 1wbd h ARG 455 CO 0.16 0.27 -0.85 0.93 -1.51 0.00 0.00 179.97 178.97 1wbd h GLU 456 N 0.42 0.73 -0.47 0.20 5.08 -1.26 -1.68 114.58 117.61 1wbd h GLU 456 Ca 0.18 -0.65 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1wbd h GLU 456 Cb 0.08 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1wbd h GLU 456 CO -0.12 1.25 0.23 -0.09 -1.00 0.00 0.00 179.01 179.28 1wbd h ARG 457 N 0.48 0.68 0.00 2.33 2.43 -1.26 -3.21 114.38 115.82 1wbd h ARG 457 Ca -0.07 -0.10 -0.18 0.00 -0.81 0.00 0.00 59.98 58.82 1wbd h ARG 457 Cb 1.48 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.88 1wbd h ARG 457 CO 0.17 0.57 -1.02 1.79 -1.51 0.00 0.00 179.97 179.97 1wbd h THR 458 N 0.62 1.07 0.00 0.20 1.35 -1.42 -3.48 112.91 111.25 1wbd h THR 458 Ca 0.16 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 1wbd h THR 458 Cb 0.12 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1wbd h THR 458 CO -0.02 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1wbd n GLY 459 N 1.35 0.52 3.22 5.82 0.00 -0.64 -5.02 105.19 110.44 1wbd n GLY 459 Ca -0.04 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 5.63 0.00 0.99 1.43 -1.15 -4.97 118.68 120.61 1wbd s LEU 460 Ca 0.00 -1.86 0.25 0.00 -1.03 0.00 0.00 54.13 51.49 1wbd s LEU 460 Cb 0.00 -2.01 1.39 0.00 0.03 0.00 0.00 46.19 45.60 1wbd s LEU 460 CO 0.00 -0.67 1.85 -0.90 0.23 0.00 0.00 176.35 176.85 1wbd n ASP 461 N 4.91 0.00 -0.13 2.29 5.68 -1.26 -1.91 116.55 126.12 1wbd n ASP 461 Ca -0.08 -0.46 0.12 0.00 -0.50 0.00 0.00 54.79 53.86 1wbd n ASP 461 Cb 0.41 -0.13 0.17 0.00 -1.14 0.00 0.00 41.12 40.43 1wbd n ASP 461 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1wbd n THR 462 N -1.13 0.00 -1.68 2.12 -2.24 -1.26 -4.94 114.28 105.15 1wbd n THR 462 Ca 0.16 -0.07 -0.47 0.00 -2.27 0.00 0.00 64.05 61.39 1wbd n THR 462 Cb 0.14 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 1wbd n THR 462 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1wbd n LEU 463 N -1.08 3.51 -4.17 3.22 0.00 -0.80 -4.62 117.00 113.05 1wbd n LEU 463 Ca 0.07 0.97 -0.16 0.00 0.00 0.00 0.00 56.01 56.90 1wbd n LEU 463 Cb 0.35 -1.39 -0.11 0.00 0.00 0.00 0.00 43.42 42.27 1wbd n LEU 463 CO 0.33 -0.04 -0.43 -0.54 0.00 0.00 0.00 177.39 176.71 1wbd s LYS 464 N 3.84 0.83 -0.15 1.96 1.02 -0.45 -4.83 119.74 121.95 1wbd s LYS 464 Ca 0.91 -1.06 -0.05 0.00 0.02 0.00 0.00 55.97 55.79 1wbd s LYS 464 Cb -0.66 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 1wbd s LYS 464 CO 0.49 0.13 0.02 0.08 -0.92 0.00 0.00 175.35 175.15 1wbd s VAL 465 N -1.87 4.44 0.23 3.17 1.01 -1.26 -0.02 120.40 126.10 1wbd s VAL 465 Ca 0.02 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1wbd s VAL 465 Cb -0.06 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1wbd s VAL 465 CO 0.01 0.50 0.20 0.61 0.00 0.00 0.00 175.10 176.42 1wbd n GLY 466 N 3.23 3.24 3.19 4.51 0.00 -0.82 -5.00 105.19 113.53 1wbd n GLY 466 Ca -0.17 -1.81 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.95 1.28 -0.10 1.61 5.36 -1.26 -1.27 117.98 120.65 1wbd s PHE 467 Ca 0.27 -0.46 -0.05 0.00 -0.96 0.00 0.00 56.93 55.73 1wbd s PHE 467 Cb 0.01 -0.71 0.05 0.00 -0.34 0.00 0.00 43.02 42.03 1wbd s PHE 467 CO 0.19 0.07 0.23 1.21 -1.46 0.00 0.00 175.22 175.47 1wbd s ASN 468 N -1.79 -0.19 0.29 6.13 3.84 -0.90 -4.98 114.94 117.35 1wbd s ASN 468 Ca -0.01 0.50 -0.01 0.00 0.21 0.00 0.00 52.86 53.56 1wbd s ASN 468 Cb -0.10 0.40 0.44 0.00 -0.55 0.00 0.00 41.25 41.45 1wbd s ASN 468 CO 0.02 -0.17 1.86 0.00 -2.79 0.00 0.00 177.10 176.03 1wbd h ALA 469 N 7.30 1.28 -0.03 1.71 0.00 -2.01 0.32 119.26 127.83 1wbd h ALA 469 Ca -0.39 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 1wbd h ALA 469 Cb 1.15 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1wbd h ALA 469 CO 0.36 0.52 -0.84 0.28 0.00 0.00 0.00 179.25 179.57 1wbd h VAL 470 N 0.82 1.40 0.00 0.00 2.07 -2.05 -3.38 116.25 115.11 1wbd h VAL 470 Ca 0.19 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1wbd h VAL 470 Cb 0.21 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1wbd h VAL 470 CO -0.01 0.70 -0.88 1.41 0.02 0.00 0.00 177.57 178.81 1wbd n HIS 471 N -3.77 0.00 -0.50 1.57 8.25 -1.16 -5.13 115.22 114.49 1wbd n HIS 471 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1wbd n HIS 471 Cb 0.78 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.81 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 1.82 -1.84 3.77 -1.41 0.00 0.11 -4.95 105.19 102.68 1wbd n GLY 472 Ca -0.00 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 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 2.79 0.08 1.61 1.51 -1.26 -2.11 117.35 119.97 1wbd s TYR 473 Ca 0.00 1.50 -0.09 0.00 -1.01 0.00 0.00 57.07 57.47 1wbd s TYR 473 Cb 0.00 -3.47 -0.00 0.00 -0.11 0.00 0.00 41.96 38.38 1wbd s TYR 473 CO 0.00 -1.76 0.19 1.52 -1.11 0.00 0.00 175.55 174.39 1wbd s TYR 474 N -1.47 0.13 -0.27 2.71 -0.85 -0.39 -4.81 117.35 112.39 1wbd s TYR 474 Ca 0.64 -0.50 -0.10 0.00 -0.52 0.00 0.00 57.07 56.58 1wbd s TYR 474 Cb -0.32 -0.05 -0.05 0.00 0.38 0.00 0.00 41.96 41.92 1wbd s TYR 474 CO 0.38 -0.51 0.17 0.42 -1.52 0.00 0.00 175.55 174.49 1wbd s ILE 475 N -3.52 5.21 -0.15 -3.49 1.01 0.01 -1.95 121.20 118.33 1wbd s ILE 475 Ca 0.02 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 1wbd s ILE 475 Cb 0.03 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1wbd s ILE 475 CO -0.09 0.28 0.05 -1.58 0.00 0.00 0.00 174.94 173.60 1wbd s GLN 476 N 1.56 3.62 0.06 2.79 0.74 0.97 0.14 119.66 129.54 1wbd s GLN 476 Ca 0.07 -0.34 0.07 0.00 0.05 0.00 0.00 55.36 55.21 1wbd s GLN 476 Cb -0.15 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 1wbd s GLN 476 CO 0.09 0.46 -0.20 0.42 -0.55 0.00 0.00 175.29 175.51 1wbd s ILE 477 N -0.16 1.58 0.87 -2.34 1.01 -0.10 -1.34 121.20 120.72 1wbd s ILE 477 Ca 0.07 -1.28 -0.10 0.00 0.00 0.00 0.00 60.65 59.33 1wbd s ILE 477 Cb -0.12 -1.41 0.12 0.00 0.01 0.00 0.00 42.46 41.06 1wbd s ILE 477 CO 0.01 0.08 1.12 -0.94 0.00 0.00 0.00 174.94 175.21 1wbd s SER 478 N -1.42 3.42 0.10 3.58 1.04 -1.26 -0.39 113.70 118.76 1wbd s SER 478 Ca 0.06 2.01 -0.31 0.00 0.48 0.00 0.00 55.95 58.19 1wbd s SER 478 Cb -0.09 -2.53 -0.13 0.00 0.10 0.00 0.00 66.02 63.37 1wbd s SER 478 CO 0.02 -2.75 1.60 -0.09 0.98 0.00 0.00 173.24 173.01 1wbd h ARG 479 N -1.63 -0.72 -0.35 4.02 2.43 -1.71 0.14 114.38 116.56 1wbd h ARG 479 Ca -0.44 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 58.88 1wbd h ARG 479 Cb 1.26 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1wbd h ARG 479 CO 0.46 -0.48 0.48 0.78 -1.51 0.00 0.00 179.97 179.69 1wbd h GLY 480 N -0.75 0.00 -0.24 2.80 0.00 -1.93 -1.63 103.07 101.32 1wbd h GLY 480 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1wbd h GLY 480 CO -0.09 0.00 -0.45 -1.06 0.00 0.00 0.00 176.54 174.94 1wbd n GLN 481 N -3.49 2.54 0.10 4.80 6.02 -0.97 -4.72 117.38 121.65 1wbd n GLN 481 Ca 0.06 -0.28 0.05 0.00 -0.01 0.00 0.00 57.00 56.82 1wbd n GLN 481 Cb 0.63 -1.12 0.49 0.00 1.02 0.00 0.00 30.24 31.27 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 0.58 0.29 0.05 1.08 4.64 0.29 -1.81 113.55 118.66 1wbd h SER 482 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1wbd h SER 482 Cb 0.35 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1wbd h SER 482 CO 0.00 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 1wbd n HIS 483 N -4.48 0.00 0.67 4.77 1.44 -1.26 -2.58 115.22 113.78 1wbd n HIS 483 Ca 0.01 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.80 1wbd n HIS 483 Cb 0.09 -0.04 0.08 0.00 0.12 0.00 0.00 29.99 30.24 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 -1.04 2.52 -4.77 2.39 4.77 -0.68 -5.03 117.00 115.16 1wbd n LEU 484 Ca 0.12 -1.06 -0.35 0.00 -0.03 0.00 0.00 56.01 54.70 1wbd n LEU 484 Cb 0.07 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1wbd n LEU 484 CO 0.10 0.46 0.79 0.00 -1.33 0.00 0.00 177.39 177.41 1wbd s ALA 485 N -1.44 2.60 0.49 -1.18 0.00 -1.07 -4.94 121.76 116.23 1wbd s ALA 485 Ca 0.21 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 52.77 1wbd s ALA 485 Cb 0.15 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 1wbd s ALA 485 CO 0.22 -0.98 1.12 -2.30 0.00 0.00 0.00 175.76 173.82 1wbd n PRO 486 N -1.60 1.43 0.17 0.00 -0.02 -1.26 -4.86 135.00 128.86 1wbd n PRO 486 Ca 0.12 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 1wbd n PRO 486 Cb 0.51 -2.25 0.38 0.00 -0.02 0.00 0.00 33.50 32.12 1wbd n PRO 486 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1wbd h ILE 487 N 1.37 0.00 -0.52 4.25 6.09 -2.00 -2.52 117.51 124.18 1wbd h ILE 487 Ca -0.47 -0.63 0.15 0.00 -1.37 0.00 0.00 64.86 62.54 1wbd h ILE 487 Cb 1.33 1.59 -0.02 0.00 0.47 0.00 0.00 36.82 40.18 1wbd h ILE 487 CO 0.56 0.00 0.40 -1.13 -3.07 0.00 0.00 178.15 174.90 1wbd h ASN 488 N 0.00 0.00 -2.89 2.19 -0.00 -2.00 -3.44 115.58 109.44 1wbd h ASN 488 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 56.30 55.74 1wbd h ASN 488 Cb 0.74 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.02 1wbd h ASN 488 CO 0.00 0.00 1.01 -0.31 -0.00 0.00 0.00 177.43 178.13 1wbd s TYR 489 N -4.95 2.46 -0.18 0.67 1.51 -0.95 -4.86 117.35 111.06 1wbd s TYR 489 Ca -0.05 0.72 -0.23 0.00 -1.01 0.00 0.00 57.07 56.50 1wbd s TYR 489 Cb 0.19 -3.82 -0.02 0.00 -0.11 0.00 0.00 41.96 38.20 1wbd s TYR 489 CO 0.70 -2.36 0.72 -1.64 -1.11 0.00 0.00 175.55 171.86 1wbd s MET 490 N 4.12 4.26 0.21 -0.62 -1.94 -0.43 -4.87 119.30 120.03 1wbd s MET 490 Ca 0.63 0.81 -0.30 0.00 -1.71 0.00 0.00 55.69 55.11 1wbd s MET 490 Cb -0.23 -3.57 -0.09 0.00 2.01 0.00 0.00 34.83 32.95 1wbd s MET 490 CO 0.23 -0.25 1.36 0.50 -0.01 0.00 0.00 175.02 176.85 1wbd s ARG 491 N 1.93 4.34 0.02 2.03 3.52 -1.26 -0.23 118.95 129.29 1wbd s ARG 491 Ca 0.33 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 58.08 1wbd s ARG 491 Cb -0.16 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 1wbd s ARG 491 CO 0.12 -0.32 0.00 -2.13 -0.81 0.00 0.00 175.30 172.15 1wbd n ARG 492 N 2.59 0.00 -3.74 5.12 0.63 -0.44 -4.86 116.66 115.97 1wbd n ARG 492 Ca 0.07 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.84 1wbd n ARG 492 Cb 0.42 -0.39 -0.16 0.00 0.45 0.00 0.00 32.46 32.78 1wbd n ARG 492 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1wbd s GLN 493 N -2.00 -0.03 -0.09 -0.14 0.74 -0.97 -5.02 119.66 112.15 1wbd s GLN 493 Ca 0.00 0.27 -0.09 0.00 0.05 0.00 0.00 55.36 55.59 1wbd s GLN 493 Cb 0.00 -0.30 -0.04 0.00 1.10 0.00 0.00 33.01 33.76 1wbd s GLN 493 CO 0.00 -0.21 0.20 0.99 -0.55 0.00 0.00 175.29 175.72 1wbd s THR 494 N 1.39 5.40 0.38 -0.34 2.01 -1.26 -0.56 115.64 122.66 1wbd s THR 494 Ca -0.05 0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.32 1wbd s THR 494 Cb -0.13 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1wbd s THR 494 CO -0.03 0.60 0.07 -0.76 -0.69 0.00 0.00 174.62 173.81 1wbd s LEU 495 N -1.08 2.17 0.16 4.42 1.02 -0.27 -5.01 118.68 120.10 1wbd s LEU 495 Ca 0.17 -1.51 -0.16 0.00 0.02 0.00 0.00 54.13 52.66 1wbd s LEU 495 Cb -0.13 -0.36 0.04 0.00 0.02 0.00 0.00 46.19 45.75 1wbd s LEU 495 CO 0.07 -0.74 1.81 0.50 0.02 0.00 0.00 176.35 178.01 1wbd h LYS 496 N 1.89 0.51 0.00 1.70 3.64 -2.04 -3.28 116.57 119.00 1wbd h LYS 496 Ca -0.39 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 1wbd h LYS 496 Cb 1.26 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1wbd h LYS 496 CO 0.67 0.34 -0.20 0.09 -2.27 0.00 0.00 179.45 178.07 1wbd n ASN 497 N -4.83 1.85 -3.50 4.20 3.02 -1.26 -4.96 115.26 109.77 1wbd n ASN 497 Ca 0.01 -3.04 -0.16 0.00 -0.03 0.00 0.00 54.58 51.36 1wbd n ASN 497 Cb 0.05 -0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 1wbd n ASN 497 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wbd s ALA 498 N -2.43 -1.69 -0.00 5.41 0.00 -1.24 -1.97 121.76 119.85 1wbd s ALA 498 Ca 0.29 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.38 1wbd s ALA 498 Cb 0.26 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1wbd s ALA 498 CO 0.00 -0.47 -0.22 -2.00 0.00 0.00 0.00 175.76 173.07 1wbd s GLU 499 N -1.86 1.74 -0.02 0.00 2.56 0.48 -1.11 118.70 120.49 1wbd s GLU 499 Ca -0.08 -0.85 0.06 0.00 0.00 0.00 0.00 54.97 54.10 1wbd s GLU 499 Cb -0.00 -1.74 -0.01 0.00 2.00 0.00 0.00 34.13 34.38 1wbd s GLU 499 CO 0.04 0.47 -0.22 1.03 -0.56 0.00 0.00 175.26 176.02 1wbd s ARG 500 N -0.70 1.86 0.29 4.30 0.52 0.28 -0.92 118.95 124.57 1wbd s ARG 500 Ca 0.09 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.55 1wbd s ARG 500 Cb -0.09 -1.74 -0.06 0.00 0.52 0.00 0.00 34.95 33.59 1wbd s ARG 500 CO -0.00 0.43 0.07 0.71 0.02 0.00 0.00 175.30 176.53 1wbd s TYR 501 N -0.40 1.74 0.02 -0.53 2.02 0.12 -1.32 117.35 119.00 1wbd s TYR 501 Ca 0.05 -1.06 0.02 0.00 -0.37 0.00 0.00 57.07 55.72 1wbd s TYR 501 Cb -0.09 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 1wbd s TYR 501 CO 0.00 -0.15 -0.07 -1.50 -1.57 0.00 0.00 175.55 172.26 1wbd s ILE 502 N -3.52 0.53 0.17 2.71 1.10 0.68 -0.81 121.20 122.06 1wbd s ILE 502 Ca 0.37 -0.71 0.06 0.00 -0.51 0.00 0.00 60.65 59.86 1wbd s ILE 502 Cb 0.08 -0.53 -0.04 0.00 0.15 0.00 0.00 42.46 42.12 1wbd s ILE 502 CO 0.14 -0.14 -0.13 0.27 -2.11 0.00 0.00 174.94 172.97 1wbd s ILE 503 N -0.80 1.47 0.36 2.00 -4.36 -1.26 -1.31 121.20 117.29 1wbd s ILE 503 Ca -0.04 -2.08 0.08 0.00 -0.26 0.00 0.00 60.65 58.34 1wbd s ILE 503 Cb -0.06 -1.90 0.31 0.00 1.25 0.00 0.00 42.46 42.06 1wbd s ILE 503 CO 0.00 -0.62 1.90 -0.65 0.24 0.00 0.00 174.94 175.81 1wbd h PRO 504 N 2.79 0.71 -0.52 0.37 0.11 -1.98 -0.57 132.00 132.90 1wbd h PRO 504 Ca -0.38 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.73 1wbd h PRO 504 Cb 1.21 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1wbd h PRO 504 CO 0.61 0.47 0.28 1.49 -0.21 0.00 0.00 178.00 180.64 1wbd h GLU 505 N 0.73 0.53 -0.16 1.05 4.81 -1.99 -0.86 114.58 118.69 1wbd h GLU 505 Ca 0.40 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.41 1wbd h GLU 505 Cb 0.54 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1wbd h GLU 505 CO -0.16 0.35 -0.65 1.25 -0.73 0.00 0.00 179.01 179.07 1wbd h LEU 506 N 0.55 0.69 -0.49 1.64 6.46 -1.65 -2.66 115.31 119.84 1wbd h LEU 506 Ca 0.23 -0.41 -0.12 0.00 -0.12 0.00 0.00 57.88 57.46 1wbd h LEU 506 Cb 0.11 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1wbd h LEU 506 CO -0.14 1.16 -0.16 0.50 -0.62 0.00 0.00 178.44 179.18 1wbd h LYS 507 N 0.44 0.97 -0.53 1.25 3.11 -0.99 0.88 116.57 121.70 1wbd h LYS 507 Ca -0.01 -0.39 -0.05 0.00 -2.81 0.00 0.00 60.65 57.39 1wbd h LYS 507 Cb 1.23 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.38 1wbd h LYS 507 CO 0.12 1.06 0.14 1.49 -2.81 0.00 0.00 179.45 179.45 1wbd h GLU 508 N 0.83 0.81 0.00 1.90 4.81 -1.19 -1.45 114.58 120.30 1wbd h GLU 508 Ca 0.12 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 1wbd h GLU 508 Cb 0.72 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1wbd h GLU 508 CO 0.06 0.72 -0.82 -0.92 -0.73 0.00 0.00 179.01 177.32 1wbd h TYR 509 N 0.78 0.04 -0.25 0.92 3.20 -1.10 -2.69 116.97 117.87 1wbd h TYR 509 Ca 0.17 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1wbd h TYR 509 Cb 0.27 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1wbd h TYR 509 CO 0.02 0.83 0.10 1.49 -1.64 0.00 0.00 178.16 178.96 1wbd h GLU 510 N 0.01 0.36 0.00 1.82 4.81 -0.51 -2.44 114.58 118.64 1wbd h GLU 510 Ca -0.01 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1wbd h GLU 510 Cb 1.44 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 1wbd h GLU 510 CO 0.11 0.40 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.20 1wbd h ASP 511 N 0.25 0.00 0.45 1.04 3.32 -1.17 -2.08 116.42 118.23 1wbd h ASP 511 Ca 0.08 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.83 1wbd h ASP 511 Cb 0.16 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1wbd h ASP 511 CO -0.01 0.15 -1.67 0.50 -1.72 0.00 0.00 179.24 176.49 1wbd h LYS 512 N 0.00 0.11 -0.11 3.56 3.64 -1.43 -3.01 116.57 119.34 1wbd h LYS 512 Ca -0.00 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.08 1wbd h LYS 512 Cb 0.32 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1wbd h LYS 512 CO 0.02 0.83 -0.36 0.28 -2.27 0.00 0.00 179.45 177.95 1wbd h VAL 513 N 0.03 1.38 -0.27 2.00 2.07 -1.17 -2.31 116.25 117.98 1wbd h VAL 513 Ca -0.28 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.53 1wbd h VAL 513 Cb 2.00 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.91 1wbd h VAL 513 CO 0.10 0.50 0.06 -0.07 0.02 0.00 0.00 177.57 178.18 1wbd h LEU 514 N 0.01 0.42 -0.84 2.57 3.38 -1.54 -0.85 115.31 118.45 1wbd h LEU 514 Ca -0.01 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1wbd h LEU 514 Cb 0.98 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1wbd h LEU 514 CO 0.08 0.55 -0.41 0.71 0.09 0.00 0.00 178.44 179.45 1wbd h THR 515 N 0.27 0.93 0.00 0.22 1.35 -1.61 -2.30 112.91 111.77 1wbd h THR 515 Ca 0.08 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1wbd h THR 515 Cb 0.30 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1wbd h THR 515 CO 0.00 0.40 -0.25 0.77 -0.25 0.00 0.00 175.52 176.20 1wbd h SER 516 N 0.00 0.00 0.14 5.36 4.64 -1.38 -2.71 113.55 119.60 1wbd h SER 516 Ca -0.00 -0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.02 1wbd h SER 516 Cb 0.96 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.07 1wbd h SER 516 CO 0.05 0.01 -1.09 0.11 -0.87 0.00 0.00 176.83 175.05 1wbd h LYS 517 N 0.00 0.60 0.00 4.77 1.57 -0.93 -1.93 116.57 120.65 1wbd h LYS 517 Ca 0.00 -0.70 -0.05 0.00 -1.87 0.00 0.00 60.65 58.03 1wbd h LYS 517 Cb 0.91 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1wbd h LYS 517 CO 0.00 1.29 -0.25 0.78 -0.57 0.00 0.00 179.45 180.70 1wbd h GLY 518 N 0.61 0.00 1.44 3.86 0.00 -1.46 -1.82 103.07 105.71 1wbd h GLY 518 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.90 1wbd h GLY 518 CO 0.21 0.00 -1.38 0.50 0.00 0.00 0.00 176.54 175.87 1wbd h LYS 519 N 0.00 0.30 -0.03 4.80 1.79 -1.50 -2.72 116.57 119.22 1wbd h LYS 519 Ca -0.00 -0.52 -0.09 0.00 -2.18 0.00 0.00 60.65 57.86 1wbd h LYS 519 Cb 0.69 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1wbd h LYS 519 CO 0.03 1.22 -0.41 0.00 -1.08 0.00 0.00 179.45 179.21 1wbd h ALA 520 N 0.49 1.26 0.07 3.86 0.00 -1.08 -2.23 119.26 121.63 1wbd h ALA 520 Ca -0.19 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.12 1wbd h ALA 520 Cb 2.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1wbd h ALA 520 CO 0.20 0.54 -1.12 1.25 0.00 0.00 0.00 179.25 180.12 1wbd h LEU 521 N 0.05 0.24 -0.95 0.00 5.85 -1.44 -2.25 115.31 116.82 1wbd h LEU 521 Ca 0.00 -0.81 0.11 0.00 0.84 0.00 0.00 57.88 58.02 1wbd h LEU 521 Cb 0.76 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 1wbd h LEU 521 CO 0.06 1.48 0.58 0.00 -0.34 0.00 0.00 178.44 180.22 1wbd h ALA 522 N -0.13 1.39 0.05 1.25 0.00 -1.51 -1.43 119.26 118.89 1wbd h ALA 522 Ca -0.26 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1wbd h ALA 522 Cb 1.54 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1wbd h ALA 522 CO -0.00 0.21 -1.05 1.25 0.00 0.00 0.00 179.25 179.66 1wbd h LEU 523 N 0.95 0.29 -0.92 0.00 5.85 -1.49 -2.40 115.31 117.59 1wbd h LEU 523 Ca 0.46 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1wbd h LEU 523 Cb 0.41 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1wbd h LEU 523 CO -0.25 1.16 0.59 -0.33 -0.34 0.00 0.00 178.44 179.27 1wbd h GLU 524 N 0.08 1.08 -0.19 1.25 5.08 -0.93 -1.29 114.58 119.67 1wbd h GLU 524 Ca -0.08 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.04 1wbd h GLU 524 Cb 1.75 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 1wbd h GLU 524 CO 0.16 0.72 -0.60 0.87 -1.00 0.00 0.00 179.01 179.16 1wbd h LYS 525 N 1.12 0.62 -0.57 2.33 1.57 -1.24 -0.59 116.57 119.81 1wbd h LYS 525 Ca 0.38 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1wbd h LYS 525 Cb 0.08 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1wbd h LYS 525 CO -0.15 1.04 0.21 0.37 -0.57 0.00 0.00 179.45 180.35 1wbd h GLN 526 N 0.47 0.86 -0.02 3.15 4.15 -1.26 -1.82 115.11 120.63 1wbd h GLN 526 Ca -0.00 -0.16 -0.16 0.00 0.77 0.00 0.00 58.65 59.09 1wbd h GLN 526 Cb 1.17 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1wbd h GLN 526 CO 0.12 0.75 -0.72 -0.07 -1.93 0.00 0.00 178.83 176.98 1wbd h LEU 527 N 0.78 0.17 0.01 -2.39 3.38 -1.09 -1.98 115.31 114.19 1wbd h LEU 527 Ca 0.19 -0.12 -0.27 0.00 0.09 0.00 0.00 57.88 57.77 1wbd h LEU 527 Cb 0.22 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.94 1wbd h LEU 527 CO -0.01 0.83 -1.12 0.22 0.09 0.00 0.00 178.44 178.45 1wbd h TYR 528 N 0.09 0.84 -0.02 1.13 3.20 -1.04 -1.50 116.97 119.68 1wbd h TYR 528 Ca -0.02 -0.51 -0.03 0.00 3.14 0.00 0.00 58.73 61.32 1wbd h TYR 528 Cb 1.28 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1wbd h TYR 528 CO 0.02 1.35 -0.13 0.93 -1.64 0.00 0.00 178.16 178.68 1wbd h GLU 529 N 0.26 0.03 0.00 1.82 4.39 -1.34 -2.71 114.58 117.03 1wbd h GLU 529 Ca -0.14 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 1wbd h GLU 529 Cb 1.78 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.42 1wbd h GLU 529 CO 0.21 0.17 -0.34 1.49 -1.16 0.00 0.00 179.01 179.38 1wbd h GLU 530 N 0.03 0.00 -0.99 2.33 4.81 -0.70 -2.51 114.58 117.54 1wbd h GLU 530 Ca 0.01 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1wbd h GLU 530 Cb 0.26 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1wbd h GLU 530 CO 0.02 0.34 0.65 -0.07 -0.73 0.00 0.00 179.01 179.21 1wbd h LEU 531 N 0.00 1.07 -0.66 1.64 4.07 -0.95 -2.80 115.31 117.67 1wbd h LEU 531 Ca -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1wbd h LEU 531 Cb 0.84 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 1wbd h LEU 531 CO 0.04 0.72 0.37 -0.26 -1.08 0.00 0.00 178.44 178.24 1wbd h PHE 532 N 1.23 0.90 0.00 1.13 0.04 -1.51 -1.44 116.94 117.29 1wbd h PHE 532 Ca 0.40 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.14 1wbd h PHE 532 Cb 0.03 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.89 1wbd h PHE 532 CO -0.00 0.63 -0.07 -0.44 -0.60 0.00 0.00 178.31 177.83 1wbd h ASP 533 N 0.90 0.00 0.52 2.17 3.32 -1.46 0.14 116.42 122.01 1wbd h ASP 533 Ca 0.23 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.02 1wbd h ASP 533 Cb 0.03 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1wbd h ASP 533 CO -0.04 0.07 -1.67 0.18 -1.72 0.00 0.00 179.24 176.06 1wbd n LEU 534 N -4.16 0.81 -0.05 1.55 4.77 -1.06 -4.33 117.00 114.52 1wbd n LEU 534 Ca -0.03 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.19 1wbd n LEU 534 Cb 0.16 0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 1wbd n LEU 534 CO 0.32 0.32 0.45 -0.07 -1.33 0.00 0.00 177.39 177.08 1wbd h LEU 535 N 0.00 0.01 -0.87 2.23 3.38 -0.98 -3.40 115.31 115.69 1wbd h LEU 535 Ca -0.26 -0.87 0.23 0.00 0.09 0.00 0.00 57.88 57.07 1wbd h LEU 535 Cb 1.90 -0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.50 1wbd h LEU 535 CO 0.07 0.88 0.16 -0.07 0.09 0.00 0.00 178.44 179.56 1wbd h LEU 536 N -0.85 -0.14 -1.88 1.67 4.07 -0.91 -0.49 115.31 116.78 1wbd h LEU 536 Ca -0.00 0.21 0.07 0.00 0.08 0.00 0.00 57.88 58.24 1wbd h LEU 536 Cb 0.88 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1wbd h LEU 536 CO 0.00 -0.19 0.44 -0.65 -1.08 0.00 0.00 178.44 176.97 1wbd h PRO 537 N 0.16 0.00 -0.58 1.13 0.11 -1.77 -0.38 132.00 130.66 1wbd h PRO 537 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1wbd h PRO 537 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1wbd h PRO 537 CO -0.69 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.82 1wbd n HIS 538 N -3.31 1.52 -0.20 0.65 8.25 -0.19 -4.62 115.22 117.33 1wbd n HIS 538 Ca 0.04 -0.66 -0.07 0.00 -0.26 0.00 0.00 57.72 56.77 1wbd n HIS 538 Cb 0.56 -0.30 0.02 0.00 1.12 0.00 0.00 29.99 31.40 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 3.75 0.74 0.15 2.41 5.85 -1.15 -0.46 115.31 126.60 1wbd h LEU 539 Ca 0.00 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1wbd h LEU 539 Cb 1.54 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1wbd h LEU 539 CO 0.28 0.66 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.74 1wbd h GLU 540 N 0.77 -0.41 0.00 1.25 4.81 -1.82 0.43 114.58 119.60 1wbd h GLU 540 Ca 0.19 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1wbd h GLU 540 Cb 0.12 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1wbd h GLU 540 CO -0.02 -0.27 -0.19 0.00 -0.73 0.00 0.00 179.01 177.79 1wbd h ALA 541 N 0.33 1.43 -0.12 2.92 0.00 -1.83 -2.22 119.26 119.76 1wbd h ALA 541 Ca 0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1wbd h ALA 541 Cb 0.43 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wbd h ALA 541 CO -0.10 0.24 -0.48 -0.07 0.00 0.00 0.00 179.25 178.84 1wbd h LEU 542 N 0.00 0.64 -1.19 0.00 3.38 -0.22 -2.25 115.31 115.67 1wbd h LEU 542 Ca -0.00 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.30 1wbd h LEU 542 Cb 0.40 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1wbd h LEU 542 CO 0.02 1.15 0.10 1.56 0.09 0.00 0.00 178.44 181.37 1wbd h GLN 543 N 0.16 0.66 -0.22 1.13 4.20 -0.58 -1.65 115.11 118.81 1wbd h GLN 543 Ca -0.03 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.46 1wbd h GLN 543 Cb 1.12 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1wbd h GLN 543 CO 0.10 0.61 -0.30 1.96 -0.67 0.00 0.00 178.83 180.54 1wbd h GLN 544 N 0.64 0.45 -0.27 1.46 4.20 -1.41 -2.53 115.11 117.66 1wbd h GLN 544 Ca 0.15 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1wbd h GLN 544 Cb 0.26 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1wbd h GLN 544 CO -0.00 0.70 0.08 1.03 -0.67 0.00 0.00 178.83 179.97 1wbd h SER 545 N 0.39 0.39 -0.59 1.46 0.87 -0.70 -2.03 113.55 113.33 1wbd h SER 545 Ca 0.05 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1wbd h SER 545 Cb 0.72 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1wbd h SER 545 CO 0.06 0.49 0.17 0.00 -0.53 0.00 0.00 176.83 177.01 1wbd h ALA 546 N 0.92 1.12 -0.15 6.23 0.00 -1.28 -0.98 119.26 125.11 1wbd h ALA 546 Ca 0.09 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1wbd h ALA 546 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wbd h ALA 546 CO -0.00 0.60 -0.51 1.03 0.00 0.00 0.00 179.25 180.36 1wbd h SER 547 N 0.93 0.47 -0.84 0.00 0.87 -1.38 -1.23 113.55 112.38 1wbd h SER 547 Ca 0.20 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1wbd h SER 547 Cb 0.30 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1wbd h SER 547 CO -0.00 0.90 0.43 0.00 -0.53 0.00 0.00 176.83 177.63 1wbd h ALA 548 N 1.11 1.17 -0.11 6.23 0.00 -0.95 -0.96 119.26 125.75 1wbd h ALA 548 Ca 0.01 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1wbd h ALA 548 Cb 1.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1wbd h ALA 548 CO 0.09 0.64 -0.63 -0.07 0.00 0.00 0.00 179.25 179.29 1wbd h LEU 549 N 1.19 0.45 -0.12 0.00 3.38 -0.88 -0.76 115.31 118.58 1wbd h LEU 549 Ca 0.29 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1wbd h LEU 549 Cb 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wbd h LEU 549 CO -0.04 0.96 -0.21 0.00 0.09 0.00 0.00 178.44 179.24 1wbd h ALA 550 N 1.04 0.19 -0.35 1.53 0.00 -0.99 -1.84 119.26 118.83 1wbd h ALA 550 Ca -0.01 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1wbd h ALA 550 Cb 1.16 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1wbd h ALA 550 CO 0.11 0.13 0.02 1.49 0.00 0.00 0.00 179.25 181.00 1wbd h GLU 551 N -0.07 0.11 -0.53 0.00 4.81 -1.15 -0.41 114.58 117.35 1wbd h GLU 551 Ca 0.01 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1wbd h GLU 551 Cb 0.79 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.06 1wbd h GLU 551 CO 0.05 0.08 0.03 1.25 -0.73 0.00 0.00 179.01 179.69 1wbd h LEU 552 N 0.12 -0.16 -0.75 1.64 7.12 -1.10 -0.69 115.31 121.49 1wbd h LEU 552 Ca 0.17 0.12 -0.03 0.00 0.13 0.00 0.00 57.88 58.27 1wbd h LEU 552 Cb 0.22 0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 1wbd h LEU 552 CO -0.27 -0.05 0.35 -0.78 -0.13 0.00 0.00 178.44 177.56 1wbd h ASP 553 N 0.15 0.99 -0.44 1.25 3.58 -0.66 0.80 116.42 122.10 1wbd h ASP 553 Ca 0.27 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1wbd h ASP 553 Cb 0.41 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1wbd h ASP 553 CO -0.42 0.85 0.10 0.58 -2.88 0.00 0.00 179.24 177.48 1wbd h VAL 554 N 1.06 1.23 0.14 2.25 2.07 -0.15 -2.07 116.25 120.78 1wbd h VAL 554 Ca 0.26 -0.81 -0.27 0.00 0.82 0.00 0.00 66.70 66.69 1wbd h VAL 554 Cb 0.13 0.93 0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1wbd h VAL 554 CO -0.03 0.29 -1.16 -0.07 0.02 0.00 0.00 177.57 176.62 1wbd h LEU 555 N 0.57 0.77 -0.88 2.57 3.38 -0.69 0.56 115.31 121.59 1wbd h LEU 555 Ca 0.14 -0.86 0.08 0.00 0.09 0.00 0.00 57.88 57.33 1wbd h LEU 555 Cb 0.32 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1wbd h LEU 555 CO 0.00 1.56 0.53 0.58 0.09 0.00 0.00 178.44 181.21 1wbd h VAL 556 N 0.10 0.97 -0.36 1.22 2.07 -0.92 0.11 116.25 119.44 1wbd h VAL 556 Ca -0.19 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1wbd h VAL 556 Cb 1.87 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1wbd h VAL 556 CO 0.22 0.17 0.13 -1.13 0.02 0.00 0.00 177.57 176.98 1wbd h ASN 557 N 0.92 0.50 0.76 0.57 -1.24 -1.13 -1.78 115.58 114.18 1wbd h ASN 557 Ca 0.41 -0.18 -0.03 0.00 0.71 0.00 0.00 56.30 57.20 1wbd h ASN 557 Cb 0.30 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.21 1wbd h ASN 557 CO -0.22 0.55 -0.17 -0.07 -1.29 0.00 0.00 177.43 176.23 1wbd h LEU 558 N 0.43 0.00 -0.09 0.34 3.38 0.01 -0.32 115.31 119.06 1wbd h LEU 558 Ca 0.12 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 1wbd h LEU 558 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1wbd h LEU 558 CO -0.01 0.17 -0.62 0.00 0.09 0.00 0.00 178.44 178.07 1wbd h ALA 559 N 1.83 0.19 -0.39 1.53 0.00 -0.55 -1.35 119.26 120.53 1wbd h ALA 559 Ca -0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 1wbd h ALA 559 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wbd h ALA 559 CO 0.02 0.46 -0.23 1.49 0.00 0.00 0.00 179.25 180.99 1wbd h GLU 560 N 0.19 0.77 -0.19 0.00 4.22 -0.90 -2.28 114.58 116.40 1wbd h GLU 560 Ca -0.05 -0.32 -0.04 0.00 0.08 0.00 0.00 59.36 59.03 1wbd h GLU 560 Cb 1.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1wbd h GLU 560 CO 0.13 0.93 -0.03 0.00 -2.18 0.00 0.00 179.01 177.86 1wbd h ARG 561 N 0.67 0.35 -0.92 1.92 2.47 -1.07 0.32 114.38 118.12 1wbd h ARG 561 Ca 0.09 -0.13 0.09 0.00 -1.26 0.00 0.00 59.98 58.78 1wbd h ARG 561 Cb 0.75 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.98 1wbd h ARG 561 CO 0.06 0.59 0.59 0.00 0.56 0.00 0.00 179.97 181.77 1wbd h ALA 562 N 0.75 1.59 0.36 0.04 0.00 -1.19 0.12 119.26 120.92 1wbd h ALA 562 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1wbd h ALA 562 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wbd h ALA 562 CO 0.02 0.23 -0.17 -0.92 0.00 0.00 0.00 179.25 178.40 1wbd h TYR 563 N 0.94 -0.45 -0.23 0.00 3.20 -1.25 -1.19 116.97 117.98 1wbd h TYR 563 Ca 0.42 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.20 1wbd h TYR 563 Cb 0.38 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1wbd h TYR 563 CO -0.00 -0.15 -0.20 1.15 -1.64 0.00 0.00 178.16 177.31 1wbd h THR 564 N -1.02 1.24 -0.02 1.81 2.02 -0.64 -2.86 112.91 113.44 1wbd h THR 564 Ca -0.05 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1wbd h THR 564 Cb 0.50 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1wbd h THR 564 CO 0.08 0.36 -0.09 0.18 0.37 0.00 0.00 175.52 176.41 1wbd n LEU 565 N -4.17 2.53 -2.60 2.58 4.77 0.38 -5.00 117.00 115.50 1wbd n LEU 565 Ca -0.00 -0.85 -0.10 0.00 -0.03 0.00 0.00 56.01 55.02 1wbd n LEU 565 Cb 0.36 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1wbd n LEU 565 CO 0.41 0.43 0.04 -3.20 -1.33 0.00 0.00 177.39 173.73 1wbd n ASN 566 N 0.86 -3.94 -4.94 -1.43 4.05 -1.06 -5.02 115.26 103.78 1wbd n ASN 566 Ca 0.14 -0.43 -0.26 0.00 0.45 0.00 0.00 54.58 54.48 1wbd n ASN 566 Cb 0.53 -3.50 -0.03 0.00 1.23 0.00 0.00 39.78 38.01 1wbd n ASN 566 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1wbd s TYR 567 N -3.24 3.48 0.34 1.20 2.02 -0.47 -4.59 117.35 116.09 1wbd s TYR 567 Ca 0.19 0.21 0.09 0.00 -0.37 0.00 0.00 57.07 57.19 1wbd s TYR 567 Cb -0.02 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 1wbd s TYR 567 CO 0.47 0.42 0.04 0.95 -1.57 0.00 0.00 175.55 175.85 1wbd s THR 568 N -1.88 2.67 -0.20 -0.71 -4.23 -0.31 -4.77 115.64 106.21 1wbd s THR 568 Ca 0.36 -1.92 -0.29 0.00 -1.18 0.00 0.00 61.69 58.66 1wbd s THR 568 Cb -0.11 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1wbd s THR 568 CO 0.29 -0.19 1.04 0.00 -0.54 0.00 0.00 174.62 175.22 1wbd s PRO 570 N 2.93 2.60 0.19 0.00 0.04 -1.26 -4.63 135.00 134.87 1wbd s PRO 570 Ca 0.45 0.84 0.11 0.00 0.04 0.00 0.00 61.00 62.44 1wbd s PRO 570 Cb -0.16 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1wbd s PRO 570 CO 0.09 -1.31 -0.20 0.95 0.04 0.00 0.00 177.00 176.57 1wbd s THR 571 N -3.08 2.59 -0.11 1.26 -4.23 -0.08 -5.01 115.64 106.98 1wbd s THR 571 Ca 0.59 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1wbd s THR 571 Cb -0.14 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 1wbd s THR 571 CO 0.55 -0.11 0.04 -0.36 -0.54 0.00 0.00 174.62 174.20 1wbd s PHE 572 N -1.66 3.28 0.38 3.99 0.08 -1.26 -1.15 117.98 121.64 1wbd s PHE 572 Ca 0.22 0.24 0.08 0.00 0.12 0.00 0.00 56.93 57.59 1wbd s PHE 572 Cb -0.08 -1.87 -0.07 0.00 -0.57 0.00 0.00 43.02 40.43 1wbd s PHE 572 CO 0.11 0.47 0.03 0.96 -0.10 0.00 0.00 175.22 176.69 1wbd s ILE 573 N -0.69 2.25 0.10 0.64 -4.36 -0.60 -4.88 121.20 113.67 1wbd s ILE 573 Ca 0.12 -1.97 -0.11 0.00 -0.26 0.00 0.00 60.65 58.43 1wbd s ILE 573 Cb -0.12 -2.89 -0.18 0.00 1.25 0.00 0.00 42.46 40.52 1wbd s ILE 573 CO 0.02 -0.08 1.28 0.44 0.24 0.00 0.00 174.94 176.84 1wbd h ASP 574 N 1.75 0.84 -2.18 4.36 3.32 -1.98 -3.37 116.42 119.16 1wbd h ASP 574 Ca -0.43 -0.61 -0.52 0.00 0.02 0.00 0.00 57.03 55.50 1wbd h ASP 574 Cb 1.25 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 1wbd h ASP 574 CO 0.73 1.40 -0.55 -0.54 -1.72 0.00 0.00 179.24 178.56 1wbd s LYS 575 N -3.53 2.76 0.40 3.56 3.01 -1.26 -4.70 119.74 119.98 1wbd s LYS 575 Ca -0.09 -1.15 -0.26 0.00 -1.01 0.00 0.00 55.97 53.46 1wbd s LYS 575 Cb 0.08 -2.46 -0.11 0.00 -1.01 0.00 0.00 37.83 34.34 1wbd s LYS 575 CO 0.90 0.38 1.15 -2.30 0.51 0.00 0.00 175.35 175.99 1wbd n PRO 576 N -1.12 1.68 0.00 -1.68 -0.02 -1.26 -4.12 135.00 128.48 1wbd n PRO 576 Ca -0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1wbd n PRO 576 Cb 0.58 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1wbd n PRO 576 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wbd n GLY 577 N 0.98 2.73 2.89 -1.23 0.00 -1.26 -3.94 105.19 105.37 1wbd n GLY 577 Ca 0.08 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.31 -0.25 -0.61 1.01 -0.24 -1.43 121.20 117.36 1wbd s ILE 578 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1wbd s ILE 578 Cb 0.00 -0.34 0.06 0.00 0.01 0.00 0.00 42.46 42.19 1wbd s ILE 578 CO 0.00 0.14 -0.08 -0.13 0.00 0.00 0.00 174.94 174.87 1wbd s ARG 579 N 2.32 1.92 -0.11 2.79 0.52 0.64 -1.36 118.95 125.67 1wbd s ARG 579 Ca 0.02 -1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 54.00 1wbd s ARG 579 Cb -0.12 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.56 1wbd s ARG 579 CO -0.07 -0.61 -0.06 0.42 0.02 0.00 0.00 175.30 175.01 1wbd s ILE 580 N 1.22 3.73 -0.13 1.52 1.01 -0.58 -1.20 121.20 126.78 1wbd s ILE 580 Ca -0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 1wbd s ILE 580 Cb -0.19 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1wbd s ILE 580 CO -0.06 0.55 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 1wbd s THR 581 N -0.18 3.31 -1.30 2.92 2.01 -0.23 -2.09 115.64 120.08 1wbd s THR 581 Ca 0.03 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 1wbd s THR 581 Cb -0.13 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 69.99 1wbd s THR 581 CO 0.03 0.52 0.53 -0.62 -0.69 0.00 0.00 174.62 174.38 1wbd n GLU 582 N 3.39 -1.23 -2.34 4.92 -0.58 -1.25 -1.58 120.64 121.97 1wbd n GLU 582 Ca -0.18 0.24 -0.32 0.00 -0.42 0.00 0.00 57.16 56.48 1wbd n GLU 582 Cb 0.53 -3.52 -0.03 0.00 -0.57 0.00 0.00 31.44 27.84 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 -3.85 2.03 -0.05 0.62 0.00 0.26 -3.60 107.32 102.73 1wbd s GLY 583 Ca 0.30 0.17 -0.06 0.00 0.00 0.00 0.00 44.72 45.12 1wbd s GLY 583 CO 0.93 0.44 0.16 0.50 0.00 0.00 0.00 173.10 175.14 1wbd s ARG 584 N -4.16 0.23 -0.23 2.90 0.52 -0.33 -1.14 118.95 116.74 1wbd s ARG 584 Ca 0.59 0.14 -0.29 0.00 -0.52 0.00 0.00 55.73 55.65 1wbd s ARG 584 Cb -0.10 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.45 1wbd s ARG 584 CO 0.33 -0.04 1.74 -1.58 0.02 0.00 0.00 175.30 175.78 1wbd s HIS 585 N -0.12 1.89 0.33 -0.53 5.65 -1.26 -4.77 115.29 116.48 1wbd s HIS 585 Ca -0.02 0.48 0.06 0.00 0.25 0.00 0.00 55.06 55.83 1wbd s HIS 585 Cb -0.02 -4.03 0.72 0.00 -1.18 0.00 0.00 32.58 28.07 1wbd s HIS 585 CO 0.00 -3.25 1.86 -1.00 -0.65 0.00 0.00 174.74 171.70 1wbd h PRO 586 N 11.60 0.78 0.04 2.88 0.13 -1.92 -1.36 132.00 144.16 1wbd h PRO 586 Ca -0.36 -0.05 -0.21 0.00 -0.87 0.00 0.00 66.00 64.52 1wbd h PRO 586 Cb 1.17 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1wbd h PRO 586 CO 1.00 0.52 -1.11 0.28 -0.23 0.00 0.00 178.00 178.46 1wbd h VAL 587 N 0.81 1.11 -0.20 1.56 2.07 -1.91 -3.34 116.25 116.33 1wbd h VAL 587 Ca 0.47 -2.29 -0.06 0.00 0.82 0.00 0.00 66.70 65.63 1wbd h VAL 587 Cb 0.63 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1wbd h VAL 587 CO -0.23 0.52 -0.15 0.58 0.02 0.00 0.00 177.57 178.32 1wbd h VAL 588 N -0.72 1.21 0.00 2.57 2.07 -1.95 -1.91 116.25 117.52 1wbd h VAL 588 Ca -0.27 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1wbd h VAL 588 Cb 1.43 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1wbd h VAL 588 CO -0.07 0.30 0.00 1.05 0.02 0.00 0.00 177.57 178.87 1wbd h GLU 589 N 0.32 0.00 0.00 1.57 4.11 -1.40 -2.11 114.58 117.06 1wbd h GLU 589 Ca 0.06 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.29 1wbd h GLU 589 Cb 0.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1wbd h GLU 589 CO 0.03 0.00 -1.61 1.04 0.07 0.00 0.00 179.01 178.53 1wbd n GLN 590 N -3.02 0.63 -0.03 1.06 1.13 -0.73 -4.50 117.38 111.92 1wbd n GLN 590 Ca -0.00 0.18 -0.04 0.00 -1.94 0.00 0.00 57.00 55.20 1wbd n GLN 590 Cb 0.23 -1.75 -0.13 0.00 0.11 0.00 0.00 30.24 28.69 1wbd n GLN 590 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1wbd n VAL 591 N -2.86 1.23 -2.18 5.09 0.24 -1.12 -4.90 118.33 113.83 1wbd n VAL 591 Ca -0.13 -0.75 -0.41 0.00 -2.04 0.00 0.00 64.34 61.01 1wbd n VAL 591 Cb 0.90 -0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 1wbd n VAL 591 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wbd s LEU 592 N -5.63 4.44 -0.42 1.34 1.02 -0.81 -4.92 118.68 113.70 1wbd s LEU 592 Ca -0.06 2.58 0.04 0.00 0.02 0.00 0.00 54.13 56.71 1wbd s LEU 592 Cb 0.08 -3.64 0.65 0.00 0.02 0.00 0.00 46.19 43.30 1wbd s LEU 592 CO 0.83 -0.48 1.87 0.59 0.02 0.00 0.00 176.35 179.19 1wbd n ASN 593 N 1.23 3.81 -4.07 2.29 3.02 -1.26 -4.89 115.26 115.39 1wbd n ASN 593 Ca 0.01 -3.51 -0.09 0.00 -0.03 0.00 0.00 54.58 50.96 1wbd n ASN 593 Cb 0.42 -0.82 -0.09 0.00 -0.61 0.00 0.00 39.78 38.68 1wbd n ASN 593 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1wbd s GLU 594 N -3.14 0.92 0.37 3.52 -1.05 -1.26 -5.14 118.70 112.92 1wbd s GLU 594 Ca 0.55 -1.31 -0.28 0.00 -0.15 0.00 0.00 54.97 53.78 1wbd s GLU 594 Cb 0.46 0.28 -0.11 0.00 -0.44 0.00 0.00 34.13 34.31 1wbd s GLU 594 CO 0.11 -0.27 1.49 -2.30 0.95 0.00 0.00 175.26 175.24 1wbd n PRO 595 N -0.09 2.68 -3.12 -4.83 -0.02 -1.26 -4.96 135.00 123.40 1wbd n PRO 595 Ca -0.08 0.94 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 1wbd n PRO 595 Cb 0.63 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 1wbd n PRO 595 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1wbd s PHE 596 N -1.07 3.43 -0.50 6.00 2.19 -1.26 -5.01 117.98 121.76 1wbd s PHE 596 Ca 0.54 1.00 -0.28 0.00 0.33 0.00 0.00 56.93 58.51 1wbd s PHE 596 Cb -0.48 -2.78 0.02 0.00 -1.31 0.00 0.00 43.02 38.48 1wbd s PHE 596 CO 0.63 -0.09 1.30 0.42 1.83 0.00 0.00 175.22 179.32 1wbd s ILE 597 N 1.55 3.97 0.66 3.12 -1.09 -1.26 -5.00 121.20 123.15 1wbd s ILE 597 Ca 0.30 0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 59.48 1wbd s ILE 597 Cb -0.16 -4.48 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 1wbd s ILE 597 CO 0.12 -1.06 1.16 0.00 -1.23 0.00 0.00 174.94 173.94 1wbd s ALA 598 N 5.28 2.38 -0.01 9.38 0.00 -1.26 -4.91 121.76 132.62 1wbd s ALA 598 Ca 0.52 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 1wbd s ALA 598 Cb -0.10 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1wbd s ALA 598 CO 0.29 -1.41 0.06 -0.80 0.00 0.00 0.00 175.76 173.90 1wbd s ASN 599 N -2.13 0.04 0.70 0.00 0.01 -0.29 -4.79 114.94 108.48 1wbd s ASN 599 Ca 0.72 -0.12 -0.07 0.00 -0.71 0.00 0.00 52.86 52.68 1wbd s ASN 599 Cb -0.26 0.16 0.05 0.00 0.41 0.00 0.00 41.25 41.62 1wbd s ASN 599 CO 0.40 -0.19 1.01 -2.16 -1.51 0.00 0.00 177.10 174.65 1wbd s PRO 600 N -0.75 2.29 -0.19 -0.60 0.04 -1.26 -0.58 135.00 133.95 1wbd s PRO 600 Ca -0.08 -0.18 -0.17 0.00 0.04 0.00 0.00 61.00 60.61 1wbd s PRO 600 Cb -0.05 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1wbd s PRO 600 CO 0.00 -1.19 0.51 -1.17 0.04 0.00 0.00 177.00 175.19 1wbd s LEU 601 N -5.24 0.02 -0.20 -3.56 2.96 -0.89 -4.95 118.68 106.81 1wbd s LEU 601 Ca 0.59 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.52 1wbd s LEU 601 Cb -0.11 1.74 0.06 0.00 0.50 0.00 0.00 46.19 48.38 1wbd s LEU 601 CO 0.45 -0.18 0.00 0.21 -1.32 0.00 0.00 176.35 175.52 1wbd s ASN 602 N 0.37 3.11 -0.05 3.68 3.04 -1.25 -1.52 114.94 122.31 1wbd s ASN 602 Ca -0.01 -0.88 0.05 0.00 0.04 0.00 0.00 52.86 52.07 1wbd s ASN 602 Cb -0.04 -0.77 -0.01 0.00 -1.54 0.00 0.00 41.25 38.90 1wbd s ASN 602 CO -0.01 -0.27 -0.22 -0.76 -3.04 0.00 0.00 177.10 172.80 1wbd s LEU 603 N 1.72 2.01 0.31 3.21 1.43 -0.46 -4.95 118.68 121.95 1wbd s LEU 603 Ca -0.02 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1wbd s LEU 603 Cb -0.17 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1wbd s LEU 603 CO -0.07 0.21 0.39 -0.94 0.23 0.00 0.00 176.35 176.16 1wbd s SER 604 N -0.09 0.80 0.56 2.29 1.04 0.75 -1.08 113.70 117.97 1wbd s SER 604 Ca -0.03 -1.44 0.36 0.00 0.48 0.00 0.00 55.95 55.32 1wbd s SER 604 Cb -0.13 0.59 1.72 0.00 0.10 0.00 0.00 66.02 68.30 1wbd s SER 604 CO 0.03 -1.17 2.09 -0.65 0.98 0.00 0.00 173.24 174.52 1wbd h PRO 605 N 2.21 0.00 0.00 4.02 0.11 -1.97 -2.58 132.00 133.80 1wbd h PRO 605 Ca -0.29 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.68 1wbd h PRO 605 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1wbd h PRO 605 CO 0.40 0.00 -1.81 1.04 -0.21 0.00 0.00 178.00 177.42 1wbd n GLN 606 N -2.97 0.65 -3.84 1.05 3.00 -1.26 -4.56 117.38 109.45 1wbd n GLN 606 Ca -0.01 0.01 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1wbd n GLN 606 Cb 0.20 -1.64 -0.12 0.00 0.00 0.00 0.00 30.24 28.68 1wbd n GLN 606 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1wbd n ARG 607 N -2.61 1.83 -0.02 -1.09 0.63 -1.01 -4.04 116.66 110.35 1wbd n ARG 607 Ca -0.12 -4.45 0.04 0.00 -0.92 0.00 0.00 57.85 52.40 1wbd n ARG 607 Cb 0.79 -2.26 -0.12 0.00 0.45 0.00 0.00 32.46 31.33 1wbd n ARG 607 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1wbd n ARG 608 N 1.89 0.76 -4.65 -0.14 1.85 -0.68 -0.18 116.66 115.50 1wbd n ARG 608 Ca 0.21 -0.11 -0.25 0.00 -1.00 0.00 0.00 57.85 56.71 1wbd n ARG 608 Cb 0.36 -1.37 -0.16 0.00 -1.05 0.00 0.00 32.46 30.24 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 -2.90 1.68 -0.17 2.89 0.00 -0.56 -0.75 119.30 119.49 1wbd s MET 609 Ca -0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 55.69 55.14 1wbd s MET 609 Cb 0.09 -1.41 -0.01 0.00 0.00 0.00 0.00 34.83 33.49 1wbd s MET 609 CO 0.63 0.10 -0.10 -0.51 0.00 0.00 0.00 175.02 175.15 1wbd s LEU 610 N 0.41 2.74 -0.38 4.11 1.43 -0.76 -1.76 118.68 124.47 1wbd s LEU 610 Ca -0.10 -0.38 -0.25 0.00 -1.03 0.00 0.00 54.13 52.36 1wbd s LEU 610 Cb -0.14 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1wbd s LEU 610 CO 0.03 0.07 0.90 -0.63 0.23 0.00 0.00 176.35 176.95 1wbd s ILE 611 N 0.91 4.59 -0.26 -0.59 -1.09 0.22 -0.86 121.20 124.12 1wbd s ILE 611 Ca -0.02 1.05 -0.10 0.00 -2.23 0.00 0.00 60.65 59.35 1wbd s ILE 611 Cb -0.15 -4.33 -0.05 0.00 -1.58 0.00 0.00 42.46 36.36 1wbd s ILE 611 CO -0.00 -0.57 0.16 -0.63 -1.23 0.00 0.00 174.94 172.67 1wbd s ILE 612 N 3.45 5.18 0.10 2.92 1.01 -0.60 -2.00 121.20 131.26 1wbd s ILE 612 Ca 0.37 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1wbd s ILE 612 Cb -0.12 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1wbd s ILE 612 CO 0.20 0.29 0.02 0.35 0.00 0.00 0.00 174.94 175.80 1wbd n THR 613 N 4.79 0.00 0.00 2.92 -2.24 -0.82 -1.04 114.28 117.88 1wbd n THR 613 Ca -0.15 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1wbd n THR 613 Cb 0.52 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1wbd n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbd n GLY 614 N 3.83 3.59 3.71 3.38 0.00 -1.26 -0.78 105.19 117.65 1wbd n GLY 614 Ca -0.03 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1wbd n GLY 614 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wbd s PRO 615 N -3.06 0.93 0.35 1.61 0.04 -1.26 -4.89 135.00 128.72 1wbd s PRO 615 Ca 0.00 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.43 1wbd s PRO 615 Cb 0.00 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.65 1wbd s PRO 615 CO 0.00 -2.43 1.49 1.21 0.04 0.00 0.00 177.00 177.31 1wbd s ASN 616 N -3.47 6.40 -0.42 6.66 3.84 -1.26 -1.99 114.94 124.70 1wbd s ASN 616 Ca 0.64 2.99 0.00 0.00 0.21 0.00 0.00 52.86 56.70 1wbd s ASN 616 Cb -0.18 -2.66 0.00 0.00 -0.55 0.00 0.00 41.25 37.86 1wbd s ASN 616 CO 0.57 -0.84 0.00 0.23 -2.79 0.00 0.00 177.10 174.27 1wbd n MET 617 N 0.86 -1.08 0.10 0.43 2.81 -1.26 -4.92 117.12 114.06 1wbd n MET 617 Ca 0.02 0.50 0.12 0.00 -1.81 0.00 0.00 57.70 56.53 1wbd n MET 617 Cb 0.39 -4.43 0.07 0.00 -0.71 0.00 0.00 33.22 28.55 1wbd n MET 617 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1wbd h GLY 618 N 0.00 0.00 0.00 3.03 0.00 -1.74 -3.48 103.07 100.88 1wbd h GLY 618 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1wbd h GLY 618 CO 0.12 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.27 1wbd n GLY 619 N 1.23 1.65 0.21 4.60 0.00 -1.26 -4.17 105.19 107.44 1wbd n GLY 619 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1wbd n GLY 619 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wbd h LYS 620 N 0.28 0.68 -0.52 1.61 1.57 -1.91 -2.32 116.57 115.96 1wbd h LYS 620 Ca 0.00 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1wbd h LYS 620 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1wbd h LYS 620 CO 0.00 0.60 -0.16 0.77 -0.57 0.00 0.00 179.45 180.09 1wbd h SER 621 N 0.60 1.04 -0.68 0.86 0.02 -1.98 -2.90 113.55 110.51 1wbd h SER 621 Ca 0.16 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 1wbd h SER 621 Cb 0.16 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1wbd h SER 621 CO -0.02 1.18 0.17 0.74 -1.14 0.00 0.00 176.83 177.76 1wbd h THR 622 N 0.90 1.26 -0.45 -2.27 2.02 -1.97 -0.49 112.91 111.91 1wbd h THR 622 Ca 0.13 -0.95 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 1wbd h THR 622 Cb 0.74 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1wbd h THR 622 CO 0.06 0.36 -0.04 0.22 0.37 0.00 0.00 175.52 176.49 1wbd h TYR 623 N 1.02 0.82 0.08 3.16 3.20 -1.42 -0.22 116.97 123.60 1wbd h TYR 623 Ca 0.22 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1wbd h TYR 623 Cb 0.36 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1wbd h TYR 623 CO 0.03 0.78 -0.04 0.52 -1.64 0.00 0.00 178.16 177.81 1wbd h MET 624 N 0.70 -0.10 -0.90 1.82 2.86 -1.26 -3.04 114.93 115.01 1wbd h MET 624 Ca 0.13 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1wbd h MET 624 Cb 0.49 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1wbd h MET 624 CO 0.03 0.30 0.60 0.00 1.06 0.00 0.00 176.91 178.89 1wbd h ARG 625 N -0.54 1.13 0.00 1.72 3.08 -0.89 -2.56 114.38 116.33 1wbd h ARG 625 Ca -0.01 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1wbd h ARG 625 Cb 0.46 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1wbd h ARG 625 CO 0.02 0.75 -0.44 -0.56 -1.07 0.00 0.00 179.97 178.67 1wbd h GLN 626 N 1.16 0.00 -0.32 0.04 3.07 -1.11 -0.27 115.11 117.69 1wbd h GLN 626 Ca 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.06 1wbd h GLN 626 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.51 1wbd h GLN 626 CO -0.10 0.44 0.10 1.15 0.09 0.00 0.00 178.83 180.51 1wbd h THR 627 N 0.00 1.21 -0.09 1.86 2.02 -1.34 -1.74 112.91 114.82 1wbd h THR 627 Ca -0.00 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 1wbd h THR 627 Cb 0.91 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1wbd h THR 627 CO 0.06 0.23 -0.41 0.00 0.37 0.00 0.00 175.52 175.76 1wbd h ALA 628 N 0.93 1.14 -0.04 6.16 0.00 -1.13 -2.21 119.26 124.11 1wbd h ALA 628 Ca 0.10 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.40 1wbd h ALA 628 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wbd h ALA 628 CO -0.00 0.58 -0.83 -0.07 0.00 0.00 0.00 179.25 178.93 1wbd h LEU 629 N 0.17 0.50 -0.26 0.00 3.38 -1.00 -1.09 115.31 117.01 1wbd h LEU 629 Ca 0.01 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 1wbd h LEU 629 Cb 0.81 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1wbd h LEU 629 CO 0.06 1.14 -0.14 0.40 0.09 0.00 0.00 178.44 179.99 1wbd h ILE 630 N 0.25 1.30 -0.38 1.22 2.04 -1.19 -0.18 117.51 120.57 1wbd h ILE 630 Ca -0.05 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.62 1wbd h ILE 630 Cb 1.44 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 39.01 1wbd h ILE 630 CO 0.14 0.39 0.11 0.00 0.00 0.00 0.00 178.15 178.79 1wbd h ALA 631 N 0.73 0.43 -0.10 1.87 0.00 -1.35 0.08 119.26 120.93 1wbd h ALA 631 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wbd h ALA 631 Cb 0.66 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wbd h ALA 631 CO 0.04 -0.29 0.03 1.25 0.00 0.00 0.00 179.25 180.28 1wbd h LEU 632 N 0.25 0.14 -1.24 0.00 6.46 -1.08 -2.19 115.31 117.65 1wbd h LEU 632 Ca 0.18 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1wbd h LEU 632 Cb 0.19 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 1wbd h LEU 632 CO -0.21 0.29 0.25 0.24 -0.62 0.00 0.00 178.44 178.39 1wbd h MET 633 N -0.02 0.78 -0.20 1.25 2.86 -0.79 -1.86 114.93 116.94 1wbd h MET 633 Ca 0.03 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1wbd h MET 633 Cb 0.20 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1wbd h MET 633 CO -0.00 0.61 -0.10 0.00 1.06 0.00 0.00 176.91 178.48 1wbd h ALA 634 N 1.50 1.45 -0.64 6.32 0.00 -0.70 -2.34 119.26 124.86 1wbd h ALA 634 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wbd h ALA 634 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wbd h ALA 634 CO -0.02 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.27 1wbd n TYR 635 N -4.27 0.85 0.82 0.00 4.01 -0.76 -2.93 117.16 114.88 1wbd n TYR 635 Ca -0.00 -0.45 0.09 0.00 -0.16 0.00 0.00 57.90 57.38 1wbd n TYR 635 Cb 0.27 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 1wbd n TYR 635 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1wbd n ILE 636 N 1.55 0.00 0.00 -0.72 -5.35 -0.85 0.32 119.36 114.31 1wbd n ILE 636 Ca 0.23 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1wbd n ILE 636 Cb 0.61 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.69 1wbd n ILE 636 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wbd n GLY 637 N 1.28 0.26 3.76 3.28 0.00 -1.15 -4.97 105.19 107.64 1wbd n GLY 637 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.27 5.12 0.96 1.61 0.15 -0.89 -3.65 113.70 114.72 1wbd s SER 638 Ca 0.00 2.27 -0.11 0.00 0.70 0.00 0.00 55.95 58.81 1wbd s SER 638 Cb 0.00 -2.59 0.17 0.00 -1.71 0.00 0.00 66.02 61.89 1wbd s SER 638 CO 0.00 -1.63 1.10 -0.31 1.20 0.00 0.00 173.24 173.60 1wbd s TYR 639 N -1.82 1.75 0.10 3.44 1.51 -1.26 -4.39 117.35 116.68 1wbd s TYR 639 Ca 0.74 1.55 0.06 0.00 -1.01 0.00 0.00 57.07 58.41 1wbd s TYR 639 Cb -0.27 -3.22 -0.03 0.00 -0.11 0.00 0.00 41.96 38.32 1wbd s TYR 639 CO 0.35 -2.91 -0.16 0.08 -1.11 0.00 0.00 175.55 171.81 1wbd s VAL 640 N -2.67 1.38 -1.47 0.71 1.01 0.07 -4.84 120.40 114.59 1wbd s VAL 640 Ca 0.66 -1.55 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1wbd s VAL 640 Cb -0.22 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.78 1wbd s VAL 640 CO 0.59 -0.26 2.43 -0.81 0.00 0.00 0.00 175.10 177.05 1wbd n PRO 641 N 0.89 3.46 -2.63 2.72 -0.04 -1.26 -1.16 135.00 136.99 1wbd n PRO 641 Ca -0.18 -2.72 -0.06 0.00 -0.04 0.00 0.00 63.50 60.49 1wbd n PRO 641 Cb 0.55 -2.99 -0.02 0.00 -0.04 0.00 0.00 33.50 31.00 1wbd n PRO 641 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wbd n ALA 642 N 4.40 0.01 -0.05 0.55 0.00 -1.26 -1.19 120.51 122.96 1wbd n ALA 642 Ca 0.60 -0.67 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1wbd n ALA 642 Cb 0.32 0.54 -0.16 0.00 0.00 0.00 0.00 19.45 20.15 1wbd n ALA 642 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1wbd n GLN 643 N -0.23 0.70 -3.64 0.00 7.27 -0.62 -4.02 117.38 116.83 1wbd n GLN 643 Ca 0.01 -0.10 -0.12 0.00 0.07 0.00 0.00 57.00 56.86 1wbd n GLN 643 Cb 0.23 -1.51 -0.07 0.00 2.41 0.00 0.00 30.24 31.29 1wbd n GLN 643 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1wbd s LYS 644 N -2.99 0.75 -0.05 3.69 2.20 -1.22 -4.90 119.74 117.22 1wbd s LYS 644 Ca -0.09 1.02 0.01 0.00 -0.36 0.00 0.00 55.97 56.55 1wbd s LYS 644 Cb 0.10 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.74 1wbd s LYS 644 CO 0.86 -0.11 -0.06 0.08 -0.36 0.00 0.00 175.35 175.76 1wbd s VAL 645 N 0.76 0.66 -0.09 4.02 1.01 -1.26 -1.07 120.40 124.44 1wbd s VAL 645 Ca -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1wbd s VAL 645 Cb -0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1wbd s VAL 645 CO -0.06 0.26 -0.19 -1.61 0.00 0.00 0.00 175.10 173.50 1wbd s GLU 646 N 0.99 2.91 -0.10 2.72 2.02 -0.34 -0.90 118.70 126.00 1wbd s GLU 646 Ca -0.10 -0.79 -0.08 0.00 0.02 0.00 0.00 54.97 54.02 1wbd s GLU 646 Cb -0.14 -2.38 0.03 0.00 0.10 0.00 0.00 34.13 31.74 1wbd s GLU 646 CO -0.00 0.33 0.26 -1.50 0.02 0.00 0.00 175.26 174.37 1wbd s ILE 647 N 0.00 -0.01 0.18 -1.63 2.07 -0.30 -0.26 121.20 121.25 1wbd s ILE 647 Ca -0.06 0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1wbd s ILE 647 Cb -0.15 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 42.10 1wbd s ILE 647 CO 0.05 0.02 0.24 0.61 -1.91 0.00 0.00 174.94 173.95 1wbd n GLY 648 N 3.32 1.09 3.74 1.50 0.00 -0.52 -1.55 105.19 112.78 1wbd n GLY 648 Ca -0.16 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.96 4.51 -0.12 1.61 0.04 -1.26 -4.78 135.00 132.04 1wbd s PRO 649 Ca 0.17 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1wbd s PRO 649 Cb -0.01 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.32 1wbd s PRO 649 CO 0.11 -0.04 -0.15 0.42 0.04 0.00 0.00 177.00 177.38 1wbd s ILE 650 N -0.24 1.52 -0.02 0.56 1.01 -1.26 -4.65 121.20 118.12 1wbd s ILE 650 Ca 0.51 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.60 1wbd s ILE 650 Cb -0.33 -1.40 -0.24 0.00 0.01 0.00 0.00 42.46 40.50 1wbd s ILE 650 CO 0.38 0.45 0.74 -2.24 0.00 0.00 0.00 174.94 174.26 1wbd h ASP 651 N 7.66 0.12 -4.63 3.58 2.03 -1.74 -3.43 116.42 120.00 1wbd h ASP 651 Ca -0.33 -0.21 -0.09 0.00 -0.73 0.00 0.00 57.03 55.66 1wbd h ASP 651 Cb 1.16 -0.04 -0.21 0.00 -0.83 0.00 0.00 39.33 39.42 1wbd h ASP 651 CO 0.50 1.19 -0.06 -0.13 -1.03 0.00 0.00 179.24 179.71 1wbd s ARG 652 N -2.61 0.78 -0.17 4.15 0.52 -1.26 -2.11 118.95 118.25 1wbd s ARG 652 Ca -0.07 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 1wbd s ARG 652 Cb 0.08 0.37 0.00 0.00 0.52 0.00 0.00 34.95 35.92 1wbd s ARG 652 CO 0.82 -0.19 -0.15 0.42 0.02 0.00 0.00 175.30 176.21 1wbd s ILE 653 N -0.74 2.57 0.06 1.52 1.01 -0.77 -1.48 121.20 123.37 1wbd s ILE 653 Ca -0.08 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1wbd s ILE 653 Cb -0.03 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1wbd s ILE 653 CO 0.05 0.51 -0.05 -0.36 0.00 0.00 0.00 174.94 175.09 1wbd s PHE 654 N 0.99 2.89 -0.04 3.97 0.40 -0.71 -1.84 117.98 123.63 1wbd s PHE 654 Ca -0.02 -0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1wbd s PHE 654 Cb -0.15 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.87 1wbd s PHE 654 CO -0.03 0.43 0.11 0.99 0.70 0.00 0.00 175.22 177.41 1wbd s THR 655 N -1.17 -0.02 -0.18 0.64 2.01 -1.26 -1.30 115.64 114.36 1wbd s THR 655 Ca 0.21 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1wbd s THR 655 Cb -0.11 -0.17 0.05 0.00 0.01 0.00 0.00 72.50 72.28 1wbd s THR 655 CO 0.13 0.03 -0.03 -0.60 -0.69 0.00 0.00 174.62 173.46 1wbd s ARG 656 N 0.51 1.26 -0.56 4.92 3.00 -0.21 -4.66 118.95 123.20 1wbd s ARG 656 Ca -0.04 -0.57 -0.06 0.00 -1.00 0.00 0.00 55.73 54.07 1wbd s ARG 656 Cb -0.05 -2.11 0.15 0.00 0.00 0.00 0.00 34.95 32.93 1wbd s ARG 656 CO -0.02 -0.51 0.41 0.08 0.00 0.00 0.00 175.30 175.26 1wbd s VAL 657 N 1.65 3.98 -0.14 7.11 1.01 -1.26 -0.44 120.40 132.31 1wbd s VAL 657 Ca -0.01 -2.41 -0.22 0.00 0.00 0.00 0.00 61.98 59.34 1wbd s VAL 657 Cb -0.16 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 1wbd s VAL 657 CO -0.07 -0.83 0.70 0.61 0.00 0.00 0.00 175.10 175.50 1wbd n GLY 658 N 4.14 -0.01 0.00 4.51 0.00 -0.74 -5.01 105.19 108.08 1wbd n GLY 658 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1wbd n GLY 658 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1wbd n PHE 670 N 1.48 0.00 0.26 1.61 1.16 -1.26 -4.96 117.46 115.75 1wbd n PHE 670 Ca 0.13 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.85 1wbd n PHE 670 Cb 0.00 0.00 0.71 0.00 -1.61 0.00 0.00 39.48 38.58 1wbd n PHE 670 CO 0.00 0.00 0.00 1.98 -1.87 0.00 0.00 176.76 176.87 1wbd h MET 671 N 0.00 0.00 0.12 3.97 -1.53 -2.00 -3.17 114.93 112.32 1wbd h MET 671 Ca 0.00 0.00 -0.22 0.00 -3.44 0.00 0.00 59.70 56.04 1wbd h MET 671 Cb 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.07 1wbd h MET 671 CO 0.00 0.12 -0.95 0.28 0.14 0.00 0.00 176.91 176.50 1wbd h VAL 672 N 0.00 1.41 -0.09 -5.77 2.07 -2.05 -2.20 116.25 109.62 1wbd h VAL 672 Ca -0.00 -2.44 0.02 0.00 0.82 0.00 0.00 66.70 65.10 1wbd h VAL 672 Cb 0.40 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1wbd h VAL 672 CO 0.02 0.71 -0.02 -0.08 0.02 0.00 0.00 177.57 178.22 1wbd h GLU 673 N -0.10 0.01 0.00 1.57 4.81 -2.00 -1.13 114.58 117.73 1wbd h GLU 673 Ca -0.15 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1wbd h GLU 673 Cb 1.70 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.07 1wbd h GLU 673 CO 0.18 0.00 -0.26 0.52 -0.73 0.00 0.00 179.01 178.72 1wbd h MET 674 N 0.01 0.00 -0.01 1.92 2.86 -1.61 -2.04 114.93 116.05 1wbd h MET 674 Ca 0.04 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1wbd h MET 674 Cb 0.06 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.73 1wbd h MET 674 CO -0.09 0.26 -0.36 1.15 1.06 0.00 0.00 176.91 178.93 1wbd h THR 675 N 0.00 1.49 -0.85 2.22 2.02 -1.10 -2.57 112.91 114.12 1wbd h THR 675 Ca -0.00 -1.93 0.02 0.00 0.77 0.00 0.00 66.41 65.26 1wbd h THR 675 Cb 0.55 2.63 -0.04 0.00 -1.74 0.00 0.00 68.15 69.54 1wbd h THR 675 CO 0.03 0.54 0.56 -0.33 0.37 0.00 0.00 175.52 176.70 1wbd h GLU 676 N -0.32 1.07 -0.58 6.66 5.08 -1.08 -2.14 114.58 123.28 1wbd h GLU 676 Ca -0.04 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1wbd h GLU 676 Cb 1.08 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1wbd h GLU 676 CO 0.07 0.71 0.09 1.15 -1.00 0.00 0.00 179.01 180.03 1wbd h THR 677 N 1.10 1.26 -0.66 1.13 2.02 -1.39 -2.25 112.91 114.12 1wbd h THR 677 Ca 0.32 -0.99 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 1wbd h THR 677 Cb -0.06 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1wbd h THR 677 CO -0.08 0.36 0.08 0.00 0.37 0.00 0.00 175.52 176.25 1wbd h ALA 678 N 1.01 0.89 -0.47 6.16 0.00 -1.12 -1.05 119.26 124.68 1wbd h ALA 678 Ca 0.18 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1wbd h ALA 678 Cb 0.42 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1wbd h ALA 678 CO 0.01 0.67 0.13 -0.97 0.00 0.00 0.00 179.25 179.10 1wbd h ASN 679 N 1.03 0.09 -0.29 0.00 -1.24 -1.12 -0.11 115.58 113.94 1wbd h ASN 679 Ca 0.20 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.28 1wbd h ASN 679 Cb 0.47 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.58 1wbd h ASN 679 CO 0.02 0.08 0.19 0.40 -1.29 0.00 0.00 177.43 176.83 1wbd h ILE 680 N 0.29 1.07 0.00 2.57 2.04 -0.98 -2.05 117.51 120.45 1wbd h ILE 680 Ca 0.23 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1wbd h ILE 680 Cb 0.27 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1wbd h ILE 680 CO -0.26 0.07 -0.26 -0.07 0.00 0.00 0.00 178.15 177.63 1wbd h LEU 681 N 0.39 0.00 0.00 1.44 3.38 -0.57 -0.82 115.31 119.13 1wbd h LEU 681 Ca 0.11 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 1wbd h LEU 681 Cb -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1wbd h LEU 681 CO -0.03 0.26 -1.28 0.45 0.09 0.00 0.00 178.44 177.93 1wbd h HIS 682 N 0.00 0.00 -0.00 1.13 3.86 -0.73 -3.41 115.15 116.01 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 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1wbd h HIS 682 CO 0.00 0.94 -0.06 0.09 0.86 0.00 0.00 177.93 179.76 1wbd n ASN 683 N -3.19 0.19 -4.77 2.45 3.02 -0.80 -5.02 115.26 107.15 1wbd n ASN 683 Ca -0.07 -0.60 -0.38 0.00 -0.03 0.00 0.00 54.58 53.50 1wbd n ASN 683 Cb 0.97 0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 40.99 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 -1.03 3.21 0.45 5.41 0.00 -0.33 -5.06 121.76 124.41 1wbd s ALA 684 Ca 0.01 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.82 1wbd s ALA 684 Cb 0.01 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1wbd s ALA 684 CO 0.06 -0.29 0.05 0.25 0.00 0.00 0.00 175.76 175.83 1wbd n THR 685 N 0.37 0.00 0.33 0.00 -2.24 -1.26 -4.94 114.28 106.54 1wbd n THR 685 Ca 0.03 -2.07 0.08 0.00 -2.27 0.00 0.00 64.05 59.82 1wbd n THR 685 Cb 0.47 0.35 0.35 0.00 -2.10 0.00 0.00 70.33 69.39 1wbd n THR 685 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wbd n GLU 686 N -1.18 0.08 -0.17 -0.78 1.02 -1.19 -2.27 120.64 116.15 1wbd n GLU 686 Ca -0.16 0.40 0.11 0.00 -0.02 0.00 0.00 57.16 57.49 1wbd n GLU 686 Cb 0.56 -1.68 0.19 0.00 -0.02 0.00 0.00 31.44 30.50 1wbd n GLU 686 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wbd n TYR 687 N -1.83 0.45 -3.57 -0.32 4.02 -1.26 -4.51 117.16 110.14 1wbd n TYR 687 Ca 0.02 -0.25 -0.31 0.00 -0.01 0.00 0.00 57.90 57.34 1wbd n TYR 687 Cb 0.14 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.41 1wbd n TYR 687 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1wbd s SER 688 N -1.39 6.51 -0.18 7.72 0.01 -0.96 -1.92 113.70 123.50 1wbd s SER 688 Ca 0.35 0.67 -0.05 0.00 1.31 0.00 0.00 55.95 58.23 1wbd s SER 688 Cb 0.21 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 1wbd s SER 688 CO 0.29 -0.01 0.01 -0.22 0.41 0.00 0.00 173.24 173.71 1wbd s LEU 689 N -2.85 3.43 -0.16 2.44 2.96 -0.55 -1.74 118.68 122.22 1wbd s LEU 689 Ca 0.43 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1wbd s LEU 689 Cb -0.12 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1wbd s LEU 689 CO 0.25 0.14 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.60 1wbd s VAL 690 N 0.58 1.48 -0.32 1.68 1.01 0.20 -1.74 120.40 123.29 1wbd s VAL 690 Ca -0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1wbd s VAL 690 Cb -0.14 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.82 1wbd s VAL 690 CO 0.02 0.36 0.08 -0.76 0.00 0.00 0.00 175.10 174.80 1wbd s LEU 691 N 1.51 4.08 -0.25 3.92 1.43 -0.42 -0.80 118.68 128.16 1wbd s LEU 691 Ca 0.03 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.08 1wbd s LEU 691 Cb -0.14 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1wbd s LEU 691 CO -0.10 -0.27 -0.01 -0.04 0.23 0.00 0.00 176.35 176.16 1wbd s MET 692 N 1.41 3.20 -0.57 1.70 -1.94 -0.41 -1.05 119.30 121.64 1wbd s MET 692 Ca -0.01 -0.75 -0.00 0.00 -1.71 0.00 0.00 55.69 53.22 1wbd s MET 692 Cb -0.19 -3.10 0.15 0.00 2.01 0.00 0.00 34.83 33.69 1wbd s MET 692 CO 0.02 -0.30 0.35 0.34 -0.01 0.00 0.00 175.02 175.42 1wbd s ASP 693 N 1.46 4.89 -1.19 3.03 -1.08 0.42 -1.44 116.67 122.75 1wbd s ASP 693 Ca 0.04 -2.85 -0.00 0.00 -0.52 0.00 0.00 52.55 49.21 1wbd s ASP 693 Cb -0.15 -1.77 -0.00 0.00 -1.46 0.00 0.00 42.92 39.53 1wbd s ASP 693 CO -0.02 -0.33 0.99 -0.62 0.52 0.00 0.00 175.17 175.72 1wbd n GLU 694 N 3.42 -6.37 -2.17 4.34 1.02 -0.38 -1.80 120.64 118.70 1wbd n GLU 694 Ca 0.06 0.85 -0.27 0.00 -0.02 0.00 0.00 57.16 57.78 1wbd n GLU 694 Cb 0.36 -5.86 0.11 0.00 -0.02 0.00 0.00 31.44 26.03 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 -3.36 2.14 0.00 -3.67 -4.36 -1.26 -4.31 121.20 106.38 1wbd s ILE 695 Ca 0.03 -0.23 0.00 0.00 -0.26 0.00 0.00 60.65 60.19 1wbd s ILE 695 Cb -0.00 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.80 1wbd s ILE 695 CO 0.73 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.52 1wbd n GLY 696 N -3.19 -0.81 3.35 6.27 0.00 -1.26 -4.82 105.19 104.74 1wbd n GLY 696 Ca 0.11 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.17 2.71 0.20 1.61 0.52 -1.26 -4.26 118.95 118.30 1wbd s ARG 697 Ca 0.00 -0.79 0.04 0.00 -0.52 0.00 0.00 55.73 54.46 1wbd s ARG 697 Cb 0.00 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 33.13 1wbd s ARG 697 CO 0.00 0.42 0.19 0.41 0.02 0.00 0.00 175.30 176.34 1wbd n GLY 698 N 2.87 3.25 0.19 -3.53 0.00 -1.26 -4.42 105.19 102.29 1wbd n GLY 698 Ca -0.17 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.20 1wbd n GLY 698 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wbd n THR 699 N -0.38 0.00 -4.04 2.61 -2.24 -1.26 -4.78 114.28 104.20 1wbd n THR 699 Ca 0.04 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1wbd n THR 699 Cb 0.36 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 1wbd n THR 699 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wbd n SER 700 N -0.88 0.70 0.14 3.42 2.88 -1.26 -5.08 113.62 113.54 1wbd n SER 700 Ca 0.08 -1.19 -0.14 0.00 -1.33 0.00 0.00 58.87 56.29 1wbd n SER 700 Cb 0.37 0.11 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 1wbd n SER 700 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1wbd h THR 701 N 1.07 0.79 -0.00 2.46 2.02 -2.05 -3.36 112.91 113.84 1wbd h THR 701 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1wbd h THR 701 Cb 0.11 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1wbd h THR 701 CO 0.04 0.00 -0.16 -1.22 0.37 0.00 0.00 175.52 174.55 1wbd n TYR 702 N -5.21 0.00 -0.06 3.16 4.01 -1.26 -4.69 117.16 113.10 1wbd n TYR 702 Ca -0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.63 1wbd n TYR 702 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 1wbd n TYR 702 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1wbd n ASP 703 N -0.68 -0.16 0.09 7.72 2.03 -1.26 -1.75 116.55 122.53 1wbd n ASP 703 Ca 0.02 0.90 -0.04 0.00 0.52 0.00 0.00 54.79 56.18 1wbd n ASP 703 Cb 0.10 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 1wbd n ASP 703 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1wbd h GLY 704 N 0.00 0.00 1.37 0.27 0.00 -1.80 -3.13 103.07 99.77 1wbd h GLY 704 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1wbd h GLY 704 CO -0.14 0.00 -0.14 -2.00 0.00 0.00 0.00 176.54 174.26 1wbd h LEU 705 N 0.00 0.74 -0.93 3.11 5.85 -1.72 -2.29 115.31 120.07 1wbd h LEU 705 Ca -0.01 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1wbd h LEU 705 Cb 1.56 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 1wbd h LEU 705 CO 0.11 0.90 0.61 0.28 -0.34 0.00 0.00 178.44 180.00 1wbd h SER 706 N 0.67 1.05 -0.74 1.25 0.02 -1.29 0.15 113.55 114.67 1wbd h SER 706 Ca 0.11 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1wbd h SER 706 Cb 0.62 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1wbd h SER 706 CO 0.04 0.75 0.42 -0.07 -1.14 0.00 0.00 176.83 176.84 1wbd h LEU 707 N 1.24 0.91 -0.25 5.07 3.38 -1.52 -1.45 115.31 122.69 1wbd h LEU 707 Ca 0.35 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1wbd h LEU 707 Cb -0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1wbd h LEU 707 CO -0.08 0.74 0.13 0.00 0.09 0.00 0.00 178.44 179.31 1wbd h ALA 708 N 1.22 0.31 -0.26 1.53 0.00 -0.70 -0.83 119.26 120.54 1wbd h ALA 708 Ca 0.26 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1wbd h ALA 708 Cb 0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1wbd h ALA 708 CO -0.04 -0.15 -0.11 2.35 0.00 0.00 0.00 179.25 181.30 1wbd h TRP 709 N 0.28 -0.26 -0.01 0.00 2.91 -0.65 0.20 115.95 118.43 1wbd h TRP 709 Ca 0.09 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.03 1wbd h TRP 709 Cb 0.07 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 1wbd h TRP 709 CO -0.03 -0.17 -0.50 0.00 -1.03 0.00 0.00 178.44 176.71 1wbd h ALA 710 N 1.16 1.16 -0.09 2.65 0.00 -1.16 -0.34 119.26 122.63 1wbd h ALA 710 Ca 0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1wbd h ALA 710 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wbd h ALA 710 CO -0.30 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.47 1wbd h ALA 712 N 0.55 0.42 -0.47 0.00 0.00 -0.26 -1.06 119.26 118.44 1wbd h ALA 712 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1wbd h ALA 712 Cb 0.63 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1wbd h ALA 712 CO 0.02 -0.22 0.19 1.49 0.00 0.00 0.00 179.25 180.73 1wbd h GLU 713 N 0.34 0.36 -0.49 0.00 4.81 -1.10 -0.84 114.58 117.65 1wbd h GLU 713 Ca 0.15 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1wbd h GLU 713 Cb 0.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1wbd h GLU 713 CO -0.12 0.24 0.12 -0.97 -0.73 0.00 0.00 179.01 177.56 1wbd h ASN 714 N 0.37 0.69 -0.14 1.04 -0.73 -0.61 -0.96 115.58 115.24 1wbd h ASN 714 Ca 0.22 -0.11 -0.11 0.00 1.87 0.00 0.00 56.30 58.17 1wbd h ASN 714 Cb 0.21 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 1wbd h ASN 714 CO -0.21 0.68 -0.26 -0.07 -0.37 0.00 0.00 177.43 177.20 1wbd h LEU 715 N 0.72 0.61 0.00 0.34 3.38 -0.44 -2.11 115.31 117.81 1wbd h LEU 715 Ca 0.16 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wbd h LEU 715 Cb 0.26 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wbd h LEU 715 CO -0.00 0.85 -0.00 0.00 0.09 0.00 0.00 178.44 179.38 1wbd h ALA 716 N 1.19 -0.00 0.00 1.53 0.00 -0.92 -0.17 119.26 120.88 1wbd h ALA 716 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wbd h ALA 716 Cb 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wbd h ALA 716 CO 0.06 -0.05 -1.34 -1.71 0.00 0.00 0.00 179.25 176.21 1wbd n ASN 717 N -4.66 0.58 -0.00 0.00 4.05 -0.39 -4.10 115.26 110.73 1wbd n ASN 717 Ca -0.09 0.22 -0.03 0.00 0.45 0.00 0.00 54.58 55.13 1wbd n ASN 717 Cb 0.43 0.93 -0.01 0.00 1.23 0.00 0.00 39.78 42.35 1wbd n ASN 717 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1wbd n LYS 718 N -2.56 0.08 0.12 1.20 4.76 -0.84 -4.78 118.16 116.15 1wbd n LYS 718 Ca -0.02 0.03 -0.20 0.00 -2.87 0.00 0.00 58.31 55.25 1wbd n LYS 718 Cb 0.57 -0.63 -0.14 0.00 -1.84 0.00 0.00 35.03 32.99 1wbd n LYS 718 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1wbd h ILE 719 N -0.14 1.39 -3.64 -0.18 2.04 -1.58 -3.48 117.51 111.92 1wbd h ILE 719 Ca -0.07 -2.85 -0.35 0.00 1.00 0.00 0.00 64.86 62.60 1wbd h ILE 719 Cb 0.80 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 1wbd h ILE 719 CO -0.04 0.84 -0.46 0.29 0.00 0.00 0.00 178.15 178.78 1wbd n LYS 720 N -3.64 -2.36 -0.98 2.37 5.02 -0.08 -3.14 118.16 115.35 1wbd n LYS 720 Ca -0.12 0.81 -0.29 0.00 -2.02 0.00 0.00 58.31 56.68 1wbd n LYS 720 Cb 1.05 -5.47 0.19 0.00 -0.02 0.00 0.00 35.03 30.77 1wbd n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wbd s ALA 721 N -2.88 0.76 -0.24 7.82 0.00 -1.22 -4.47 121.76 121.53 1wbd s ALA 721 Ca 0.06 -0.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.67 1wbd s ALA 721 Cb -0.03 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1wbd s ALA 721 CO 0.07 -2.97 0.59 -0.51 0.00 0.00 0.00 175.76 172.94 1wbd s LEU 722 N -6.61 4.08 -0.06 0.00 1.43 -0.71 -4.65 118.68 112.16 1wbd s LEU 722 Ca 0.66 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.46 1wbd s LEU 722 Cb -0.20 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.23 1wbd s LEU 722 CO 0.59 -0.31 -0.11 -0.89 0.23 0.00 0.00 176.35 175.86 1wbd s THR 723 N 2.25 1.06 -0.22 5.49 2.01 0.07 -0.63 115.64 125.67 1wbd s THR 723 Ca 0.25 -0.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 1wbd s THR 723 Cb -0.16 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1wbd s THR 723 CO 0.09 0.34 0.08 -0.76 -0.69 0.00 0.00 174.62 173.68 1wbd s LEU 724 N 0.72 3.70 -0.66 4.42 1.43 0.02 -1.82 118.68 126.49 1wbd s LEU 724 Ca -0.14 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 1wbd s LEU 724 Cb -0.16 -1.97 0.16 0.00 0.03 0.00 0.00 46.19 44.26 1wbd s LEU 724 CO 0.03 0.06 0.45 0.12 0.23 0.00 0.00 176.35 177.24 1wbd s PHE 725 N 1.03 3.40 0.16 0.29 2.19 -0.04 -1.29 117.98 123.71 1wbd s PHE 725 Ca 0.05 -3.27 -0.31 0.00 0.33 0.00 0.00 56.93 53.73 1wbd s PHE 725 Cb -0.14 -2.65 -0.09 0.00 -1.31 0.00 0.00 43.02 38.84 1wbd s PHE 725 CO 0.03 -0.59 1.40 0.00 1.83 0.00 0.00 175.22 177.90 1wbd s ALA 726 N -1.20 3.61 0.05 11.12 0.00 -0.52 -1.56 121.76 133.25 1wbd s ALA 726 Ca 0.24 1.18 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 1wbd s ALA 726 Cb -0.08 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1wbd s ALA 726 CO -0.14 -0.64 -0.04 0.95 0.00 0.00 0.00 175.76 175.90 1wbd s THR 727 N 0.73 0.27 -0.51 0.00 -4.23 -0.21 -1.24 115.64 110.45 1wbd s THR 727 Ca 0.63 -1.56 0.23 0.00 -1.18 0.00 0.00 61.69 59.80 1wbd s THR 727 Cb -0.38 -1.18 -0.14 0.00 1.34 0.00 0.00 72.50 72.14 1wbd s THR 727 CO 0.34 -0.83 0.95 0.00 -0.54 0.00 0.00 174.62 174.54 1wbd n HIS 728 N 0.53 0.29 -2.43 3.99 1.44 -1.26 -4.49 115.22 113.30 1wbd n HIS 728 Ca -0.17 0.08 -0.38 0.00 -2.01 0.00 0.00 57.72 55.24 1wbd n HIS 728 Cb 0.59 -0.48 -0.03 0.00 0.12 0.00 0.00 29.99 30.19 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 -3.25 2.27 0.63 -1.40 2.02 -1.26 -4.87 117.35 111.49 1wbd s TYR 729 Ca 0.02 -0.25 0.25 0.00 -0.37 0.00 0.00 57.07 56.72 1wbd s TYR 729 Cb 0.14 -4.52 1.27 0.00 -0.40 0.00 0.00 41.96 38.45 1wbd s TYR 729 CO 0.82 -1.97 1.71 0.35 -1.57 0.00 0.00 175.55 174.89 1wbd h PHE 730 N 10.56 0.00 -0.01 2.71 3.57 -2.01 -1.74 116.94 130.01 1wbd h PHE 730 Ca 0.02 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1wbd h PHE 730 Cb 1.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1wbd h PHE 730 CO 1.21 0.00 -0.38 0.93 -2.23 0.00 0.00 178.31 177.84 1wbd h GLU 731 N 0.00 0.03 0.00 1.11 3.07 -2.01 -1.65 114.58 115.12 1wbd h GLU 731 Ca 0.14 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1wbd h GLU 731 Cb 1.31 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1wbd h GLU 731 CO -0.00 0.40 0.00 1.28 -1.40 0.00 0.00 179.01 179.29 1wbd n LEU 732 N -4.08 0.53 0.00 1.33 4.77 -0.65 -2.30 117.00 116.59 1wbd n LEU 732 Ca -0.02 0.67 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 1wbd n LEU 732 Cb 0.42 -0.65 0.36 0.00 -2.33 0.00 0.00 43.42 41.21 1wbd n LEU 732 CO 0.39 -0.67 0.58 0.35 -1.33 0.00 0.00 177.39 176.71 1wbd n THR 733 N -2.13 0.00 0.94 -5.08 -2.24 -0.62 -2.15 114.28 103.00 1wbd n THR 733 Ca 0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1wbd n THR 733 Cb 0.14 -0.61 0.06 0.00 -2.10 0.00 0.00 70.33 67.83 1wbd n THR 733 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1wbd n GLN 734 N -0.87 0.04 -0.13 -0.78 7.27 -0.97 -4.57 117.38 117.37 1wbd n GLN 734 Ca 0.09 -0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.07 1wbd n GLN 734 Cb 0.04 -1.51 -0.01 0.00 2.41 0.00 0.00 30.24 31.18 1wbd n GLN 734 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1wbd h LEU 735 N 0.00 0.53 -1.28 1.69 3.38 -1.65 -2.55 115.31 115.44 1wbd h LEU 735 Ca 0.00 -0.14 0.32 0.00 0.09 0.00 0.00 57.88 58.16 1wbd h LEU 735 Cb 0.53 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.03 1wbd h LEU 735 CO 0.00 0.52 0.69 -0.65 0.09 0.00 0.00 178.44 179.10 1wbd h PRO 736 N 0.51 0.30 -0.36 1.13 0.11 -1.80 -0.35 132.00 131.52 1wbd h PRO 736 Ca 0.14 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1wbd h PRO 736 Cb 0.14 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1wbd h PRO 736 CO -0.02 0.20 0.20 1.49 -0.21 0.00 0.00 178.00 179.67 1wbd h GLU 737 N 0.31 0.50 0.00 1.05 4.81 -1.77 -3.19 114.58 116.29 1wbd h GLU 737 Ca 0.69 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.87 1wbd h GLU 737 Cb 1.82 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.10 1wbd h GLU 737 CO -0.41 0.40 -0.75 1.63 -0.73 0.00 0.00 179.01 179.15 1wbd n LYS 738 N -4.78 0.10 -3.73 1.92 4.76 -0.43 -4.91 118.16 111.10 1wbd n LYS 738 Ca -0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 1wbd n LYS 738 Cb 0.07 -1.54 -0.16 0.00 -1.84 0.00 0.00 35.03 31.56 1wbd n LYS 738 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1wbd s MET 739 N -3.07 0.68 0.13 1.97 -1.94 -0.27 -5.11 119.30 111.68 1wbd s MET 739 Ca 0.08 -0.62 -0.34 0.00 -1.71 0.00 0.00 55.69 53.10 1wbd s MET 739 Cb 0.16 -2.03 -0.17 0.00 2.01 0.00 0.00 34.83 34.80 1wbd s MET 739 CO 0.76 -0.76 1.01 -1.91 -0.01 0.00 0.00 175.02 174.12 1wbd n GLU 740 N 5.00 0.60 -0.24 2.03 0.00 -1.26 -2.46 120.64 124.31 1wbd n GLU 740 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1wbd n GLU 740 Cb 0.45 -1.62 0.00 0.00 0.00 0.00 0.00 31.44 30.28 1wbd n GLU 740 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wbd n GLY 741 N 1.88 0.76 3.45 8.31 0.00 -1.26 -4.74 105.19 113.59 1wbd n GLY 741 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.57 2.65 0.12 1.61 1.01 -1.03 -1.49 120.40 120.70 1wbd s VAL 742 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 61.98 60.44 1wbd s VAL 742 Cb 0.00 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1wbd s VAL 742 CO 0.00 0.21 0.28 0.00 0.00 0.00 0.00 175.10 175.59 1wbd s ALA 743 N -1.02 -0.36 -0.17 5.51 0.00 -0.72 -4.42 121.76 120.58 1wbd s ALA 743 Ca 0.15 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 1wbd s ALA 743 Cb -0.10 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 1wbd s ALA 743 CO 0.07 -0.60 0.14 -0.80 0.00 0.00 0.00 175.76 174.57 1wbd s ASN 744 N -2.88 6.29 0.26 0.00 0.01 -1.26 -0.61 114.94 116.75 1wbd s ASN 744 Ca 0.08 0.34 0.03 0.00 -0.71 0.00 0.00 52.86 52.60 1wbd s ASN 744 Cb 0.03 -2.09 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 1wbd s ASN 744 CO -0.08 0.27 0.05 0.68 -1.51 0.00 0.00 177.10 176.51 1wbd s VAL 745 N -0.21 0.89 0.13 1.60 -7.23 -0.85 -0.61 120.40 114.12 1wbd s VAL 745 Ca 0.11 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.04 1wbd s VAL 745 Cb -0.11 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.34 1wbd s VAL 745 CO 0.01 -0.14 0.59 -1.38 -0.31 0.00 0.00 175.10 173.87 1wbd s HIS 746 N -3.52 -0.52 -0.30 2.82 -3.43 -0.47 -1.94 115.29 107.93 1wbd s HIS 746 Ca 0.33 0.38 -0.15 0.00 -0.80 0.00 0.00 55.06 54.83 1wbd s HIS 746 Cb 0.07 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.70 1wbd s HIS 746 CO 0.12 -0.80 0.36 -0.51 -2.00 0.00 0.00 174.74 171.90 1wbd s LEU 747 N -2.56 4.21 0.27 5.38 1.02 0.04 -1.83 118.68 125.21 1wbd s LEU 747 Ca -0.00 0.04 -0.29 0.00 0.02 0.00 0.00 54.13 53.89 1wbd s LEU 747 Cb -0.01 -2.37 -0.10 0.00 0.02 0.00 0.00 46.19 43.74 1wbd s LEU 747 CO -0.10 -0.25 1.32 -0.62 0.02 0.00 0.00 176.35 176.72 1wbd s ASP 748 N 1.70 6.82 0.13 2.29 2.15 -0.98 -4.43 116.67 124.35 1wbd s ASP 748 Ca 0.13 2.57 0.03 0.00 0.43 0.00 0.00 52.55 55.71 1wbd s ASP 748 Cb -0.16 -2.63 -0.04 0.00 -0.30 0.00 0.00 42.92 39.79 1wbd s ASP 748 CO 0.11 -0.54 -0.06 0.00 -0.17 0.00 0.00 175.17 174.51 1wbd s ALA 749 N -0.54 1.20 -0.03 3.66 0.00 -1.26 -2.71 121.76 122.09 1wbd s ALA 749 Ca 0.53 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1wbd s ALA 749 Cb -0.39 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1wbd s ALA 749 CO 0.46 -0.21 -0.12 -0.51 0.00 0.00 0.00 175.76 175.38 1wbd s LEU 750 N -3.11 1.88 -0.42 0.00 1.43 -0.85 -4.97 118.68 112.64 1wbd s LEU 750 Ca 0.16 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.92 1wbd s LEU 750 Cb 0.05 -0.69 0.07 0.00 0.03 0.00 0.00 46.19 45.65 1wbd s LEU 750 CO -0.01 0.11 0.26 -1.61 0.23 0.00 0.00 176.35 175.33 1wbd s GLU 751 N 0.03 2.64 -0.48 1.70 2.02 -1.26 -1.43 118.70 121.93 1wbd s GLU 751 Ca -0.01 -1.42 -0.03 0.00 0.02 0.00 0.00 54.97 53.52 1wbd s GLU 751 Cb -0.08 -3.79 0.13 0.00 0.10 0.00 0.00 34.13 30.48 1wbd s GLU 751 CO 0.01 -0.93 0.28 -3.38 0.02 0.00 0.00 175.26 171.26 1wbd s HIS 752 N 1.45 3.53 0.00 1.61 -3.43 -1.07 -4.98 115.29 112.39 1wbd s HIS 752 Ca 0.03 -2.46 0.00 0.00 -0.80 0.00 0.00 55.06 51.83 1wbd s HIS 752 Cb -0.23 -3.25 0.00 0.00 -1.43 0.00 0.00 32.58 27.68 1wbd s HIS 752 CO 0.03 -0.94 0.00 0.41 -2.00 0.00 0.00 174.74 172.24 1wbd n GLY 753 N 4.31 3.29 0.85 -1.38 0.00 -1.26 -3.70 105.19 107.30 1wbd n GLY 753 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 6.22 2.16 -3.72 1.61 8.00 -1.26 -4.89 116.55 124.67 1wbd n ASP 754 Ca 0.00 -2.22 -0.10 0.00 0.71 0.00 0.00 54.79 53.18 1wbd n ASP 754 Cb 0.00 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.52 1wbd n ASP 754 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1wbd s THR 755 N -1.36 0.02 -0.08 -3.53 -1.32 -1.24 -4.95 115.64 103.18 1wbd s THR 755 Ca 0.12 -0.73 0.01 0.00 -1.21 0.00 0.00 61.69 59.88 1wbd s THR 755 Cb 0.10 -1.55 -0.03 0.00 -1.51 0.00 0.00 72.50 69.51 1wbd s THR 755 CO 0.04 -0.11 -0.09 -0.51 -2.21 0.00 0.00 174.62 171.73 1wbd s ILE 756 N -3.87 3.47 -0.15 5.08 2.07 -1.26 -2.59 121.20 123.96 1wbd s ILE 756 Ca 0.09 -0.55 0.01 0.00 -1.41 0.00 0.00 60.65 58.78 1wbd s ILE 756 Cb -0.01 -2.42 0.00 0.00 0.13 0.00 0.00 42.46 40.16 1wbd s ILE 756 CO -0.03 0.58 -0.17 0.00 -1.91 0.00 0.00 174.94 173.40 1wbd s ALA 757 N -0.51 2.42 -0.32 1.50 0.00 -0.51 -4.99 121.76 119.34 1wbd s ALA 757 Ca 0.07 -1.05 -0.18 0.00 0.00 0.00 0.00 51.96 50.80 1wbd s ALA 757 Cb -0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1wbd s ALA 757 CO 0.02 -0.02 0.50 -0.06 0.00 0.00 0.00 175.76 176.20 1wbd s PHE 758 N 0.80 3.20 -0.04 0.00 0.08 -1.26 -2.00 117.98 118.76 1wbd s PHE 758 Ca -0.06 0.30 0.09 0.00 0.12 0.00 0.00 56.93 57.38 1wbd s PHE 758 Cb -0.15 -2.85 -0.23 0.00 -0.57 0.00 0.00 43.02 39.21 1wbd s PHE 758 CO -0.00 -0.46 0.68 0.52 -0.10 0.00 0.00 175.22 175.87 1wbd h MET 759 N 8.34 0.04 0.00 0.44 2.86 -1.82 -3.49 114.93 121.30 1wbd h MET 759 Ca -0.28 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1wbd h MET 759 Cb 1.13 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1wbd h MET 759 CO 0.75 0.64 0.00 0.72 1.06 0.00 0.00 176.91 180.08 1wbd n HIS 760 N -3.14 0.00 -4.10 -0.22 -0.00 -1.25 -4.91 115.22 101.60 1wbd n HIS 760 Ca -0.17 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.21 1wbd n HIS 760 Cb 1.04 -0.56 -0.15 0.00 -0.00 0.00 0.00 29.99 30.32 1wbd n HIS 760 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1wbd s SER 761 N -2.87 3.53 0.10 0.41 1.04 -1.26 -4.84 113.70 109.81 1wbd s SER 761 Ca 0.00 -0.55 -0.31 0.00 0.48 0.00 0.00 55.95 55.57 1wbd s SER 761 Cb 0.00 -1.57 -0.08 0.00 0.10 0.00 0.00 66.02 64.48 1wbd s SER 761 CO 0.00 0.00 1.40 -0.69 0.98 0.00 0.00 173.24 174.93 1wbd s VAL 762 N 1.30 3.35 0.14 5.02 1.01 -1.26 -2.32 120.40 127.64 1wbd s VAL 762 Ca 0.04 0.94 0.06 0.00 0.00 0.00 0.00 61.98 63.03 1wbd s VAL 762 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1wbd s VAL 762 CO -0.09 0.06 -0.15 -1.10 0.00 0.00 0.00 175.10 173.83 1wbd s GLN 763 N 1.32 1.09 0.58 2.72 -1.52 -0.76 -4.88 119.66 118.20 1wbd s GLN 763 Ca 0.65 -1.31 -0.16 0.00 -1.95 0.00 0.00 55.36 52.60 1wbd s GLN 763 Cb -0.36 -0.98 -0.05 0.00 -0.22 0.00 0.00 33.01 31.40 1wbd s GLN 763 CO 0.30 0.19 1.04 -0.51 -0.25 0.00 0.00 175.29 176.05 1wbd s ASP 764 N -2.59 6.00 0.00 5.90 1.01 -1.26 -1.36 116.67 124.37 1wbd s ASP 764 Ca 0.11 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.11 1wbd s ASP 764 Cb -0.04 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1wbd s ASP 764 CO 0.04 -1.02 0.00 0.61 0.21 0.00 0.00 175.17 175.01 1wbd n GLY 765 N -1.23 -0.50 3.80 0.21 0.00 0.22 -4.81 105.19 102.89 1wbd n GLY 765 Ca 0.08 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.94 2.80 0.80 4.61 0.00 -1.26 -3.35 121.76 123.42 1wbd s ALA 766 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 1wbd s ALA 766 Cb 0.00 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.97 1wbd s ALA 766 CO 0.00 -0.65 1.15 0.00 0.00 0.00 0.00 175.76 176.26 1wbd s ALA 767 N -2.36 1.94 0.25 0.00 0.00 -1.26 -4.93 121.76 115.39 1wbd s ALA 767 Ca 0.64 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 1wbd s ALA 767 Cb -0.16 -3.41 0.44 0.00 0.00 0.00 0.00 23.12 20.00 1wbd s ALA 767 CO 0.33 -2.13 1.78 0.77 0.00 0.00 0.00 175.76 176.51 1wbd h SER 768 N -1.01 0.58 -5.23 0.00 0.02 -2.00 -3.46 113.55 102.46 1wbd h SER 768 Ca -0.45 0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.45 1wbd h SER 768 Cb 1.27 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 1wbd h SER 768 CO 0.47 0.30 0.06 -1.59 -1.14 0.00 0.00 176.83 174.93 1wbd s LYS 769 N -6.01 2.04 0.40 3.45 -2.85 -1.26 -5.17 119.74 110.34 1wbd s LYS 769 Ca -0.12 -1.54 0.08 0.00 -1.00 0.00 0.00 55.97 53.39 1wbd s LYS 769 Cb 0.20 0.54 -0.00 0.00 -2.06 0.00 0.00 37.83 36.51 1wbd s LYS 769 CO 0.78 -0.91 0.49 -1.54 0.10 0.00 0.00 175.35 174.27 1wbd s SER 770 N -3.13 5.56 -0.10 0.03 1.04 -1.26 -4.91 113.70 110.93 1wbd s SER 770 Ca 0.22 -0.45 0.21 0.00 0.48 0.00 0.00 55.95 56.40 1wbd s SER 770 Cb -0.03 -0.76 0.44 0.00 0.10 0.00 0.00 66.02 65.77 1wbd s SER 770 CO 0.15 -0.65 1.18 -1.22 0.98 0.00 0.00 173.24 173.67 1wbd n TYR 771 N -1.72 0.30 -0.33 5.02 4.02 -1.26 -4.85 117.16 118.34 1wbd n TYR 771 Ca 0.05 -1.05 -0.02 0.00 -0.01 0.00 0.00 57.90 56.87 1wbd n TYR 771 Cb 0.59 -0.20 0.12 0.00 -0.02 0.00 0.00 39.34 39.84 1wbd n TYR 771 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1wbd h GLY 772 N 1.25 1.33 2.00 2.72 0.00 -1.99 -1.15 103.07 107.23 1wbd h GLY 772 Ca -0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 1wbd h GLY 772 CO 0.12 0.53 -0.44 1.41 0.00 0.00 0.00 176.54 178.16 1wbd h LEU 773 N 1.27 0.00 -0.05 3.11 3.38 -1.98 -1.27 115.31 119.76 1wbd h LEU 773 Ca 0.33 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.22 1wbd h LEU 773 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wbd h LEU 773 CO -0.06 0.44 -0.31 0.00 0.09 0.00 0.00 178.44 178.59 1wbd h ALA 774 N 1.56 0.11 -0.81 1.53 0.00 -1.67 -2.52 119.26 117.47 1wbd h ALA 774 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1wbd h ALA 774 Cb 0.98 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1wbd h ALA 774 CO 0.06 0.16 0.47 0.28 0.00 0.00 0.00 179.25 180.22 1wbd h VAL 775 N -0.22 1.23 -0.24 0.00 2.07 -1.27 0.45 116.25 118.27 1wbd h VAL 775 Ca -0.02 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1wbd h VAL 775 Cb 0.97 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1wbd h VAL 775 CO 0.06 0.25 -0.13 0.00 0.02 0.00 0.00 177.57 177.77 1wbd h ALA 776 N 1.25 0.06 -0.67 1.67 0.00 -1.22 -1.30 119.26 119.04 1wbd h ALA 776 Ca 0.29 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1wbd h ALA 776 Cb -0.01 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1wbd h ALA 776 CO -0.05 -0.54 0.17 0.00 0.00 0.00 0.00 179.25 178.83 1wbd h ALA 777 N 1.08 0.89 -0.85 0.00 0.00 -1.01 -2.33 119.26 117.04 1wbd h ALA 777 Ca 0.13 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1wbd h ALA 777 Cb 0.30 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1wbd h ALA 777 CO -0.31 0.60 0.47 1.25 0.00 0.00 0.00 179.25 181.26 1wbd h LEU 778 N 1.00 0.63 0.00 0.00 5.85 -0.38 -1.16 115.31 121.26 1wbd h LEU 778 Ca 0.21 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1wbd h LEU 778 Cb 0.36 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1wbd h LEU 778 CO 0.00 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 178.42 1wbd n ALA 779 N -2.39 2.22 -0.14 1.25 0.00 -0.54 -4.88 120.51 116.03 1wbd n ALA 779 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wbd n ALA 779 Cb 0.35 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.23 0.56 3.63 0.00 0.00 -0.44 -5.06 105.19 104.13 1wbd n GLY 780 Ca 0.11 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.62 1wbd n GLY 780 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wbd n VAL 781 N -2.00 0.07 -1.59 1.61 0.31 -1.19 -4.82 118.33 110.71 1wbd n VAL 781 Ca 0.00 -0.01 -0.46 0.00 -0.01 0.00 0.00 64.34 63.86 1wbd n VAL 781 Cb 0.00 -1.15 -0.02 0.00 -0.91 0.00 0.00 33.84 31.76 1wbd n VAL 781 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1wbd n PRO 782 N 3.33 1.31 -0.17 5.55 -0.02 -1.26 -4.71 135.00 139.03 1wbd n PRO 782 Ca 0.19 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 1wbd n PRO 782 Cb 0.22 -1.88 0.46 0.00 -0.02 0.00 0.00 33.50 32.28 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 2.56 0.49 -0.28 -0.52 1.57 -1.98 -1.36 116.57 117.05 1wbd h LYS 783 Ca -0.41 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.33 1wbd h LYS 783 Cb 1.34 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1wbd h LYS 783 CO 0.65 0.32 0.10 1.49 -0.57 0.00 0.00 179.45 181.43 1wbd h GLU 784 N 0.50 0.39 0.08 3.15 4.57 -2.00 -1.05 114.58 120.22 1wbd h GLU 784 Ca 0.36 -0.05 -0.25 0.00 -1.18 0.00 0.00 59.36 58.24 1wbd h GLU 784 Cb 0.71 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1wbd h GLU 784 CO -0.13 0.34 -1.11 0.28 -1.18 0.00 0.00 179.01 177.21 1wbd h VAL 785 N 0.39 1.47 -0.17 0.32 2.07 -1.60 -3.03 116.25 115.70 1wbd h VAL 785 Ca 0.10 -2.82 -0.15 0.00 0.82 0.00 0.00 66.70 64.65 1wbd h VAL 785 Cb 0.11 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1wbd h VAL 785 CO -0.01 0.83 -0.52 0.40 0.02 0.00 0.00 177.57 178.29 1wbd h ILE 786 N 0.13 1.33 -0.34 4.57 1.08 -1.20 -1.44 117.51 121.64 1wbd h ILE 786 Ca -0.11 -1.76 0.02 0.00 -0.39 0.00 0.00 64.86 62.62 1wbd h ILE 786 Cb 1.80 1.76 -0.02 0.00 -3.07 0.00 0.00 36.82 37.29 1wbd h ILE 786 CO 0.19 0.54 0.19 0.50 -0.69 0.00 0.00 178.15 178.87 1wbd h LYS 787 N 0.36 0.37 -0.14 2.37 3.64 -1.20 -1.64 116.57 120.35 1wbd h LYS 787 Ca 0.01 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1wbd h LYS 787 Cb 1.03 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1wbd h LYS 787 CO 0.09 0.25 -0.42 -0.09 -2.27 0.00 0.00 179.45 177.01 1wbd h ARG 788 N 0.38 0.31 0.00 1.90 1.12 -1.40 -2.43 114.38 114.26 1wbd h ARG 788 Ca 0.14 -0.15 -0.08 0.00 -1.11 0.00 0.00 59.98 58.77 1wbd h ARG 788 Cb 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 1wbd h ARG 788 CO -0.08 0.68 -0.39 0.00 -3.11 0.00 0.00 179.97 177.07 1wbd h ALA 789 N 1.30 1.30 -0.07 2.80 0.00 -0.81 -1.32 119.26 122.46 1wbd h ALA 789 Ca 0.02 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 1wbd h ALA 789 Cb 0.85 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1wbd h ALA 789 CO 0.07 0.49 -0.63 0.00 0.00 0.00 0.00 179.25 179.18 1wbd h ARG 790 N 0.00 0.55 -0.96 0.00 3.08 -1.14 -1.02 114.38 114.90 1wbd h ARG 790 Ca -0.00 -0.50 0.09 0.00 0.07 0.00 0.00 59.98 59.64 1wbd h ARG 790 Cb 0.72 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.81 1wbd h ARG 790 CO 0.05 1.13 0.60 0.37 -1.07 0.00 0.00 179.97 181.05 1wbd h GLN 791 N 0.16 0.99 -0.20 0.04 4.15 -1.18 -1.88 115.11 117.18 1wbd h GLN 791 Ca -0.06 -0.06 -0.19 0.00 0.77 0.00 0.00 58.65 59.12 1wbd h GLN 791 Cb 1.29 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1wbd h GLN 791 CO 0.13 0.65 -0.63 -0.22 -1.93 0.00 0.00 178.83 176.83 1wbd h LYS 792 N 1.02 0.69 -0.88 1.69 1.63 -1.14 -3.04 116.57 116.54 1wbd h LYS 792 Ca 0.45 -0.48 0.05 0.00 -0.85 0.00 0.00 60.65 59.81 1wbd h LYS 792 Cb 0.33 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.98 1wbd h LYS 792 CO -0.22 1.11 0.56 1.25 -3.45 0.00 0.00 179.45 178.69 1wbd h LEU 793 N 0.51 0.90 -1.18 5.20 5.85 -0.64 -1.69 115.31 124.26 1wbd h LEU 793 Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1wbd h LEU 793 Cb 1.22 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1wbd h LEU 793 CO 0.13 0.60 -0.35 0.03 -0.34 0.00 0.00 178.44 178.51 1wbd h ARG 794 N 1.05 0.00 0.09 1.25 3.08 -1.25 0.39 114.38 118.98 1wbd h ARG 794 Ca 0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1wbd h ARG 794 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1wbd h ARG 794 CO -0.15 0.35 -0.04 0.93 -1.07 0.00 0.00 179.97 179.99 1wbd h GLU 795 N 0.00 -0.11 -0.68 0.04 5.08 -1.25 -2.59 114.58 115.08 1wbd h GLU 795 Ca -0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1wbd h GLU 795 Cb 0.75 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1wbd h GLU 795 CO 0.04 0.06 0.27 -0.07 -1.00 0.00 0.00 179.01 178.31 1wbd h LEU 796 N -0.26 0.94 -2.25 1.33 3.38 -0.91 -2.29 115.31 115.25 1wbd h LEU 796 Ca -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1wbd h LEU 796 Cb 0.22 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1wbd h LEU 796 CO 0.02 0.86 -0.05 -0.33 0.09 0.00 0.00 178.44 179.03 1wbd h GLU 797 N 0.96 0.00 0.00 1.13 5.08 -0.94 -2.20 114.58 118.62 1wbd h GLU 797 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1wbd h GLU 797 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1wbd h GLU 797 CO -0.02 0.05 -0.05 -1.13 -1.00 0.00 0.00 179.01 176.86 1wbd n SER 798 N -3.45 0.07 0.01 1.42 3.41 -0.86 -4.04 113.62 110.19 1wbd n SER 798 Ca -0.02 0.43 -0.11 0.00 -0.26 0.00 0.00 58.87 58.91 1wbd n SER 798 Cb 0.17 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 1wbd n SER 798 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1wbd h ILE 799 N 0.00 0.30 0.00 -1.33 2.04 -1.42 -3.52 117.51 113.58 1wbd h ILE 799 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1wbd h ILE 799 Cb 0.51 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1wbd h ILE 799 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.61