#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b3b s GLN 6 N 0.00 3.22 0.40 -0.52 2.00 -1.26 -5.08 119.66 118.41 3b3b s GLN 6 Ca 0.00 -0.41 -0.24 0.00 -2.00 0.00 0.00 55.36 52.70 3b3b s GLN 6 Cb 0.00 -2.87 -0.09 0.00 0.80 0.00 0.00 33.01 30.85 3b3b s GLN 6 CO 0.00 0.58 1.06 0.00 -0.50 0.00 0.00 175.29 176.43 3b3b s ALA 7 N -0.54 3.10 0.09 1.58 0.00 -1.26 -4.68 121.76 120.05 3b3b s ALA 7 Ca 0.09 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.85 3b3b s ALA 7 Cb -0.12 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3b3b s ALA 7 CO 0.02 -0.25 -0.09 0.15 0.00 0.00 0.00 175.76 175.59 3b3b s LYS 8 N -2.44 2.21 -0.04 0.00 1.02 0.12 -4.95 119.74 115.66 3b3b s LYS 8 Ca 0.57 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 55.65 3b3b s LYS 8 Cb -0.23 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 3b3b s LYS 8 CO 0.29 0.52 -0.21 0.71 -0.92 0.00 0.00 175.35 175.74 3b3b s TYR 9 N -1.18 2.02 0.24 3.18 1.51 -1.26 -1.03 117.35 120.84 3b3b s TYR 9 Ca 0.21 -0.52 -0.05 0.00 -1.01 0.00 0.00 57.07 55.69 3b3b s TYR 9 Cb -0.11 -1.33 0.31 0.00 -0.11 0.00 0.00 41.96 40.73 3b3b s TYR 9 CO 0.13 -0.13 1.88 -0.09 -1.11 0.00 0.00 175.55 176.22 3b3b h ARG 10 N 5.96 1.07 0.00 -0.62 2.43 -1.43 -1.49 114.38 120.29 3b3b h ARG 10 Ca -0.35 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3b3b h ARG 10 Cb 1.16 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3b3b h ARG 10 CO 0.47 0.71 0.00 -2.39 -1.51 0.00 0.00 179.97 177.25 3b3b n HIS 11 N -4.54 0.24 1.59 2.20 1.44 -1.26 -2.18 115.22 112.70 3b3b n HIS 11 Ca 0.12 0.11 0.14 0.00 -2.01 0.00 0.00 57.72 56.08 3b3b n HIS 11 Cb 0.13 -0.67 0.59 0.00 0.12 0.00 0.00 29.99 30.16 3b3b n HIS 11 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3b3b n ASP 12 N -1.73 1.13 -4.63 4.39 8.00 -0.56 -4.95 116.55 118.20 3b3b n ASP 12 Ca 0.02 -1.43 -0.49 0.00 0.71 0.00 0.00 54.79 53.60 3b3b n ASP 12 Cb 0.12 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 3b3b n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3b3b n TYR 13 N -0.10 1.89 -3.92 1.24 9.36 -0.93 -5.00 117.16 119.71 3b3b n TYR 13 Ca 0.19 0.45 -0.13 0.00 3.32 0.00 0.00 57.90 61.73 3b3b n TYR 13 Cb 0.28 -2.44 -0.14 0.00 -0.63 0.00 0.00 39.34 36.41 3b3b n TYR 13 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3b3b s ARG 14 N 0.70 0.10 0.44 2.98 3.52 -1.26 -5.14 118.95 120.30 3b3b s ARG 14 Ca 0.82 -0.01 -0.23 0.00 -0.13 0.00 0.00 55.73 56.18 3b3b s ARG 14 Cb -0.82 -0.14 -0.11 0.00 -1.56 0.00 0.00 34.95 32.32 3b3b s ARG 14 CO 0.42 -0.01 0.83 0.00 -0.81 0.00 0.00 175.30 175.73 3b3b n ALA 15 N 3.25 -0.47 -1.77 6.12 0.00 -1.26 -4.90 120.51 121.48 3b3b n ALA 15 Ca -0.15 0.18 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 3b3b n ALA 15 Cb 0.58 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3b3b n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3b3b s PRO 16 N -1.94 4.05 0.46 0.00 0.04 -1.26 -4.93 135.00 131.42 3b3b s PRO 16 Ca 0.65 1.92 0.15 0.00 0.04 0.00 0.00 61.00 63.76 3b3b s PRO 16 Cb -0.56 -2.71 1.06 0.00 0.04 0.00 0.00 34.50 32.32 3b3b s PRO 16 CO 0.56 -0.35 2.02 -0.44 0.04 0.00 0.00 177.00 178.83 3b3b h ASP 17 N 2.69 0.00 -4.26 6.66 3.32 -1.95 -3.41 116.42 119.47 3b3b h ASP 17 Ca -0.49 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.15 3b3b h ASP 17 Cb 1.24 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.53 3b3b h ASP 17 CO 0.63 0.15 -0.78 -0.31 -1.72 0.00 0.00 179.24 177.20 3b3b s TYR 18 N -4.69 1.04 0.09 4.55 1.51 -1.26 0.53 117.35 119.11 3b3b s TYR 18 Ca -0.04 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 3b3b s TYR 18 Cb 0.16 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 3b3b s TYR 18 CO 0.69 0.00 0.07 -0.65 -1.11 0.00 0.00 175.55 174.55 3b3b s GLN 19 N -0.78 2.84 -0.15 -0.62 -1.52 0.63 -4.92 119.66 115.14 3b3b s GLN 19 Ca 0.02 -0.72 -0.02 0.00 -1.95 0.00 0.00 55.36 52.68 3b3b s GLN 19 Cb -0.06 -2.70 -0.02 0.00 -0.22 0.00 0.00 33.01 30.01 3b3b s GLN 19 CO 0.00 0.56 -0.08 0.42 -0.25 0.00 0.00 175.29 175.94 3b3b s ILE 20 N -1.40 3.41 -0.16 1.08 1.01 -1.26 -0.75 121.20 123.13 3b3b s ILE 20 Ca 0.29 -0.53 0.18 0.00 0.00 0.00 0.00 60.65 60.60 3b3b s ILE 20 Cb -0.12 -2.47 -0.26 0.00 0.01 0.00 0.00 42.46 39.62 3b3b s ILE 20 CO 0.22 0.50 0.22 0.35 0.00 0.00 0.00 174.94 176.23 3b3b n THR 21 N 3.65 1.15 -3.71 2.92 -2.24 -0.08 -4.12 114.28 111.86 3b3b n THR 21 Ca -0.18 -0.78 -0.12 0.00 -2.27 0.00 0.00 64.05 60.70 3b3b n THR 21 Cb 0.52 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 3b3b n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3b3b s ASP 22 N -5.38 -0.50 -0.03 3.42 1.01 -1.25 -1.05 116.67 112.89 3b3b s ASP 22 Ca -0.09 0.91 0.01 0.00 0.71 0.00 0.00 52.55 54.09 3b3b s ASP 22 Cb 0.08 0.86 0.02 0.00 1.01 0.00 0.00 42.92 44.88 3b3b s ASP 22 CO 0.84 -0.17 -0.05 -0.51 0.21 0.00 0.00 175.17 175.49 3b3b s ILE 23 N 0.82 0.53 -0.31 0.77 2.07 -0.34 -0.85 121.20 123.89 3b3b s ILE 23 Ca -0.05 -0.17 -0.05 0.00 -1.41 0.00 0.00 60.65 58.98 3b3b s ILE 23 Cb -0.06 -0.53 0.03 0.00 0.13 0.00 0.00 42.46 42.04 3b3b s ILE 23 CO -0.06 0.20 0.06 -0.62 -1.91 0.00 0.00 174.94 172.61 3b3b s ASP 24 N 0.62 5.06 -0.09 4.50 -1.08 0.30 -1.31 116.67 124.67 3b3b s ASP 24 Ca -0.08 -1.01 -0.05 0.00 -0.52 0.00 0.00 52.55 50.89 3b3b s ASP 24 Cb -0.11 -1.82 -0.04 0.00 -1.46 0.00 0.00 42.92 39.49 3b3b s ASP 24 CO 0.00 -0.25 0.11 -0.76 0.52 0.00 0.00 175.17 174.79 3b3b s LEU 25 N 1.39 4.19 -0.09 -1.34 1.43 0.44 -0.94 118.68 123.76 3b3b s LEU 25 Ca -0.01 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3b3b s LEU 25 Cb -0.19 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.93 3b3b s LEU 25 CO 0.01 0.37 -0.16 -0.89 0.23 0.00 0.00 176.35 175.91 3b3b s THR 26 N -1.06 1.48 -0.22 5.49 2.01 0.54 -0.19 115.64 123.70 3b3b s THR 26 Ca 0.17 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 3b3b s THR 26 Cb -0.12 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 3b3b s THR 26 CO 0.07 0.43 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.03 3b3b s PHE 27 N 0.71 2.95 -0.70 4.92 0.40 0.31 -0.71 117.98 125.87 3b3b s PHE 27 Ca -0.13 -0.93 -0.18 0.00 -0.60 0.00 0.00 56.93 55.10 3b3b s PHE 27 Cb -0.16 -2.10 0.13 0.00 0.51 0.00 0.00 43.02 41.41 3b3b s PHE 27 CO 0.03 -0.54 0.78 0.34 0.70 0.00 0.00 175.22 176.53 3b3b s ASP 28 N 1.44 6.39 0.11 1.36 -1.08 0.20 -0.48 116.67 124.60 3b3b s ASP 28 Ca 0.05 -1.84 -0.28 0.00 -0.52 0.00 0.00 52.55 49.97 3b3b s ASP 28 Cb -0.14 -2.29 -0.06 0.00 -1.46 0.00 0.00 42.92 38.96 3b3b s ASP 28 CO -0.03 -0.97 0.86 -0.76 0.52 0.00 0.00 175.17 174.79 3b3b s LEU 29 N 2.07 4.51 -0.26 -1.34 1.43 0.60 -1.79 118.68 123.90 3b3b s LEU 29 Ca 0.16 1.66 -0.25 0.00 -1.03 0.00 0.00 54.13 54.67 3b3b s LEU 29 Cb -0.18 -3.42 0.08 0.00 0.03 0.00 0.00 46.19 42.70 3b3b s LEU 29 CO 0.00 0.02 0.78 -0.62 0.23 0.00 0.00 176.35 176.76 3b3b s ASP 30 N -0.29 -0.69 0.31 2.29 -1.08 -1.25 -4.62 116.67 111.35 3b3b s ASP 30 Ca 0.42 1.30 -0.01 0.00 -0.52 0.00 0.00 52.55 53.74 3b3b s ASP 30 Cb -0.23 1.31 0.50 0.00 -1.46 0.00 0.00 42.92 43.05 3b3b s ASP 30 CO 0.27 -0.25 1.98 0.00 0.52 0.00 0.00 175.17 177.69 3b3b h ALA 31 N 4.74 1.44 0.21 3.66 0.00 -1.97 -3.02 119.26 124.33 3b3b h ALA 31 Ca -0.29 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.26 3b3b h ALA 31 Cb 1.16 -0.30 0.03 0.00 0.00 0.00 0.00 17.79 18.68 3b3b h ALA 31 CO 0.08 0.51 -1.31 1.96 0.00 0.00 0.00 179.25 180.48 3b3b h GLN 32 N 1.02 0.51 -2.09 0.00 1.08 -1.94 0.19 115.11 113.88 3b3b h GLN 32 Ca 0.27 -0.84 -0.22 0.00 -1.45 0.00 0.00 58.65 56.42 3b3b h GLN 32 Cb -0.10 0.31 -0.32 0.00 -0.05 0.00 0.00 27.48 27.32 3b3b h GLN 32 CO -0.06 1.40 -0.54 0.21 -0.95 0.00 0.00 178.83 178.89 3b3b s LYS 33 N -2.63 0.30 -0.18 1.46 2.20 -1.14 -4.45 119.74 115.31 3b3b s LYS 33 Ca -0.10 0.34 -0.07 0.00 -0.36 0.00 0.00 55.97 55.78 3b3b s LYS 33 Cb 0.04 -0.71 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 3b3b s LYS 33 CO 0.92 -0.71 0.07 0.99 -0.36 0.00 0.00 175.35 176.27 3b3b s THR 34 N 2.46 4.90 -0.25 3.43 2.01 -0.14 -3.87 115.64 124.18 3b3b s THR 34 Ca 0.10 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 3b3b s THR 34 Cb -0.15 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3b3b s THR 34 CO -0.17 0.48 0.15 -0.69 -0.69 0.00 0.00 174.62 173.69 3b3b s VAL 35 N 0.21 5.14 -0.20 3.82 1.01 -0.74 -1.43 120.40 128.21 3b3b s VAL 35 Ca 0.05 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3b3b s VAL 35 Cb -0.12 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3b3b s VAL 35 CO 0.00 0.33 0.02 -0.69 0.00 0.00 0.00 175.10 174.76 3b3b s VAL 36 N 1.28 4.19 -0.19 2.92 1.01 0.30 -0.63 120.40 129.27 3b3b s VAL 36 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 3b3b s VAL 36 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3b3b s VAL 36 CO 0.06 0.43 -0.08 -0.89 0.00 0.00 0.00 175.10 174.62 3b3b s THR 37 N 0.86 3.24 -0.16 3.92 2.01 0.11 -1.33 115.64 124.29 3b3b s THR 37 Ca 0.02 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.46 3b3b s THR 37 Cb -0.14 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 69.97 3b3b s THR 37 CO 0.02 0.47 -0.10 0.00 -0.69 0.00 0.00 174.62 174.32 3b3b s ALA 38 N 1.04 1.71 -0.33 7.40 0.00 0.30 -0.34 121.76 131.54 3b3b s ALA 38 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 3b3b s ALA 38 Cb -0.15 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 21.94 3b3b s ALA 38 CO -0.01 -0.58 0.06 0.08 0.00 0.00 0.00 175.76 175.31 3b3b s VAL 39 N 1.54 3.23 -0.08 0.00 1.01 -0.12 -1.05 120.40 124.93 3b3b s VAL 39 Ca 0.03 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 60.60 3b3b s VAL 39 Cb -0.14 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3b3b s VAL 39 CO -0.09 -0.21 -0.10 -0.44 0.00 0.00 0.00 175.10 174.26 3b3b s SER 40 N 1.38 4.39 -0.35 3.32 0.01 0.49 -0.54 113.70 122.40 3b3b s SER 40 Ca -0.02 -0.13 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 3b3b s SER 40 Cb -0.20 -1.20 -0.00 0.00 0.21 0.00 0.00 66.02 64.82 3b3b s SER 40 CO -0.01 0.31 0.50 -1.10 0.41 0.00 0.00 173.24 173.35 3b3b s GLN 41 N -0.50 3.63 0.16 12.44 -1.52 -0.03 -0.34 119.66 133.50 3b3b s GLN 41 Ca 0.07 -0.17 0.08 0.00 -1.95 0.00 0.00 55.36 53.39 3b3b s GLN 41 Cb -0.12 -3.80 -0.04 0.00 -0.22 0.00 0.00 33.01 28.83 3b3b s GLN 41 CO 0.02 -0.62 -0.05 0.00 -0.25 0.00 0.00 175.29 174.39 3b3b s ALA 42 N 2.36 3.08 -0.03 6.09 0.00 -0.06 -0.90 121.76 132.29 3b3b s ALA 42 Ca 0.18 -1.35 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 3b3b s ALA 42 Cb -0.16 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.08 3b3b s ALA 42 CO 0.13 0.53 0.01 0.08 0.00 0.00 0.00 175.76 176.51 3b3b s VAL 43 N -1.58 0.13 -0.01 0.00 1.01 0.07 -2.10 120.40 117.92 3b3b s VAL 43 Ca 0.25 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 3b3b s VAL 43 Cb -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3b3b s VAL 43 CO 0.17 0.16 0.93 -0.60 0.00 0.00 0.00 175.10 175.75 3b3b s ARG 44 N 1.29 4.54 -0.10 2.72 3.52 0.94 -0.27 118.95 131.60 3b3b s ARG 44 Ca -0.06 1.32 0.10 0.00 -0.13 0.00 0.00 55.73 56.96 3b3b s ARG 44 Cb -0.13 -3.46 -0.14 0.00 -1.56 0.00 0.00 34.95 29.67 3b3b s ARG 44 CO -0.02 -0.02 0.06 0.72 -0.81 0.00 0.00 175.30 175.22 3b3b n HIS 45 N 3.86 0.00 -0.53 5.12 8.25 0.19 -4.95 115.22 127.16 3b3b n HIS 45 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3b3b n HIS 45 Cb 0.51 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3b3b n HIS 45 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b3b n GLY 46 N 2.29 -0.26 3.77 -1.41 0.00 0.34 -5.00 105.19 104.93 3b3b n GLY 46 Ca -0.16 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3b3b n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3b s ALA 47 N -3.60 3.56 0.62 4.61 0.00 -1.26 -4.88 121.76 120.81 3b3b s ALA 47 Ca 0.00 1.48 0.30 0.00 0.00 0.00 0.00 51.96 53.74 3b3b s ALA 47 Cb 0.00 -3.57 1.59 0.00 0.00 0.00 0.00 23.12 21.14 3b3b s ALA 47 CO 0.00 -0.93 1.95 0.66 0.00 0.00 0.00 175.76 177.44 3b3b h SER 48 N 3.21 0.00 -0.56 0.00 4.64 -1.99 0.17 113.55 119.03 3b3b h SER 48 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3b3b h SER 48 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3b3b h SER 48 CO 0.65 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 3b3b n ASP 49 N -3.38 3.51 -4.73 4.97 5.75 -1.26 -4.81 116.55 116.61 3b3b n ASP 49 Ca 0.03 -1.98 -0.41 0.00 -0.01 0.00 0.00 54.79 52.41 3b3b n ASP 49 Cb 0.48 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 40.16 3b3b n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3b3b s ALA 50 N -1.26 3.29 0.58 2.12 0.00 0.61 -4.90 121.76 122.20 3b3b s ALA 50 Ca 0.43 0.69 -0.08 0.00 0.00 0.00 0.00 51.96 52.99 3b3b s ALA 50 Cb 0.23 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3b3b s ALA 50 CO 0.31 -0.16 0.94 -1.25 0.00 0.00 0.00 175.76 175.60 3b3b s PRO 51 N 0.13 3.38 -0.22 0.00 0.04 -1.26 -4.79 135.00 132.27 3b3b s PRO 51 Ca 0.50 0.42 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 3b3b s PRO 51 Cb -0.26 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3b3b s PRO 51 CO 0.31 -0.54 0.70 -1.17 0.04 0.00 0.00 177.00 176.35 3b3b s LEU 52 N -5.04 4.11 -0.35 -3.56 2.96 0.68 -4.91 118.68 112.58 3b3b s LEU 52 Ca 0.53 0.89 -0.06 0.00 -0.22 0.00 0.00 54.13 55.26 3b3b s LEU 52 Cb -0.11 -2.99 0.05 0.00 0.50 0.00 0.00 46.19 43.64 3b3b s LEU 52 CO 0.49 -0.37 0.11 -0.13 -1.32 0.00 0.00 176.35 175.13 3b3b s ARG 53 N 2.33 2.55 -0.16 1.98 0.52 -1.26 -0.42 118.95 124.50 3b3b s ARG 53 Ca 0.31 -1.26 -0.08 0.00 -0.52 0.00 0.00 55.73 54.17 3b3b s ARG 53 Cb -0.16 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 3b3b s ARG 53 CO 0.09 -0.72 0.13 -0.51 0.02 0.00 0.00 175.30 174.32 3b3b s LEU 54 N 1.37 4.30 0.24 2.53 1.43 0.34 -4.80 118.68 124.08 3b3b s LEU 54 Ca -0.01 0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 3b3b s LEU 54 Cb -0.20 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 3b3b s LEU 54 CO 0.02 0.31 1.00 0.20 0.23 0.00 0.00 176.35 178.11 3b3b s ASN 55 N -0.41 7.49 -0.23 2.29 0.01 0.82 -0.81 114.94 124.11 3b3b s ASN 55 Ca 0.12 2.05 -0.23 0.00 -0.71 0.00 0.00 52.86 54.09 3b3b s ASN 55 Cb -0.12 -2.61 0.06 0.00 0.41 0.00 0.00 41.25 38.99 3b3b s ASN 55 CO 0.01 0.02 0.65 -0.83 -1.51 0.00 0.00 177.10 175.44 3b3b s GLY 56 N -0.93 -0.49 -0.05 0.66 0.00 -0.60 -1.46 107.32 104.45 3b3b s GLY 56 Ca 0.43 1.78 0.00 0.00 0.00 0.00 0.00 44.72 46.93 3b3b s GLY 56 CO 0.35 1.52 -0.02 -0.54 0.00 0.00 0.00 173.10 174.41 3b3b s GLU 57 N 0.23 0.60 -1.34 2.90 0.41 0.06 -3.77 118.70 117.79 3b3b s GLU 57 Ca -0.01 0.01 -0.03 0.00 -0.41 0.00 0.00 54.97 54.53 3b3b s GLU 57 Cb -0.04 -0.75 0.02 0.00 -1.78 0.00 0.00 34.13 31.57 3b3b s GLU 57 CO 0.01 -0.15 0.80 -0.25 -0.49 0.00 0.00 175.26 175.19 3b3b n ASP 58 N 4.35 -2.11 -4.55 -0.19 8.00 -1.26 -4.28 116.55 116.50 3b3b n ASP 58 Ca -0.21 -0.78 -0.32 0.00 0.71 0.00 0.00 54.79 54.19 3b3b n ASP 58 Cb 0.50 -4.19 -0.11 0.00 -0.02 0.00 0.00 41.12 37.30 3b3b n ASP 58 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3b3b s LEU 59 N -6.77 2.99 -0.48 0.64 1.43 -1.26 -4.85 118.68 110.37 3b3b s LEU 59 Ca 0.14 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 3b3b s LEU 59 Cb -0.07 -1.69 0.09 0.00 0.03 0.00 0.00 46.19 44.54 3b3b s LEU 59 CO 0.80 0.30 0.40 -0.75 0.23 0.00 0.00 176.35 177.34 3b3b s LYS 60 N -1.18 2.93 0.11 1.70 2.20 -0.61 -4.95 119.74 119.94 3b3b s LYS 60 Ca 0.15 -1.45 -0.31 0.00 -0.36 0.00 0.00 55.97 54.00 3b3b s LYS 60 Cb -0.11 -4.13 -0.08 0.00 -1.51 0.00 0.00 37.83 32.00 3b3b s LYS 60 CO 0.05 -1.09 1.36 -1.17 -0.36 0.00 0.00 175.35 174.14 3b3b s LEU 61 N 1.61 4.37 -0.23 5.43 2.96 -1.26 -0.60 118.68 130.96 3b3b s LEU 61 Ca 0.04 2.28 -0.07 0.00 -0.22 0.00 0.00 54.13 56.16 3b3b s LEU 61 Cb -0.25 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.73 3b3b s LEU 61 CO 0.05 -0.63 -0.27 0.52 -1.32 0.00 0.00 176.35 174.71 3b3b n VAL 62 N 3.94 1.28 -3.48 1.68 0.31 0.79 -4.94 118.33 117.91 3b3b n VAL 62 Ca 0.11 -0.38 -0.13 0.00 -0.01 0.00 0.00 64.34 63.93 3b3b n VAL 62 Cb 0.43 -1.64 -0.04 0.00 -0.91 0.00 0.00 33.84 31.68 3b3b n VAL 62 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3b3b s SER 63 N -6.80 -0.55 -0.09 4.52 1.04 -1.01 -4.98 113.70 105.84 3b3b s SER 63 Ca -0.32 0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.38 3b3b s SER 63 Cb 0.11 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.77 3b3b s SER 63 CO 0.45 -0.74 -0.06 -0.69 0.98 0.00 0.00 173.24 173.18 3b3b s VAL 64 N -2.57 0.83 0.05 5.02 1.01 -1.26 -1.80 120.40 121.68 3b3b s VAL 64 Ca -0.02 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3b3b s VAL 64 Cb -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 3b3b s VAL 64 CO -0.04 0.33 -0.20 -1.00 0.00 0.00 0.00 175.10 174.19 3b3b s HIS 65 N 1.60 1.73 -0.16 5.22 3.76 -0.02 -1.06 115.29 126.36 3b3b s HIS 65 Ca 0.02 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 3b3b s HIS 65 Cb -0.13 -1.02 0.02 0.00 1.11 0.00 0.00 32.58 32.57 3b3b s HIS 65 CO -0.06 0.10 -0.14 0.42 -0.85 0.00 0.00 174.74 174.21 3b3b s ILE 66 N -0.86 1.64 -1.56 0.60 -1.09 -0.00 -0.77 121.20 119.15 3b3b s ILE 66 Ca 0.06 -0.72 -0.10 0.00 -2.23 0.00 0.00 60.65 57.67 3b3b s ILE 66 Cb -0.09 -1.55 0.08 0.00 -1.58 0.00 0.00 42.46 39.32 3b3b s ILE 66 CO 0.02 0.43 0.61 0.59 -1.23 0.00 0.00 174.94 175.35 3b3b n ASN 67 N 4.74 -1.93 0.00 3.58 3.02 0.55 -1.00 115.26 124.22 3b3b n ASN 67 Ca -0.17 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 3b3b n ASN 67 Cb 0.49 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 3b3b n ASN 67 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3b3b n ASP 68 N -2.82 -1.93 -4.65 6.41 8.00 -1.26 -4.99 116.55 115.32 3b3b n ASP 68 Ca -0.11 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.99 3b3b n ASP 68 Cb 0.59 -1.84 -0.06 0.00 -0.02 0.00 0.00 41.12 39.79 3b3b n ASP 68 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3b3b s GLU 69 N -0.85 4.17 0.02 -1.24 2.56 -0.17 -5.02 118.70 118.17 3b3b s GLU 69 Ca 0.00 0.58 -0.35 0.00 0.00 0.00 0.00 54.97 55.20 3b3b s GLU 69 Cb 0.00 -3.61 -0.13 0.00 2.00 0.00 0.00 34.13 32.39 3b3b s GLU 69 CO 0.00 -0.30 1.71 -2.30 -0.56 0.00 0.00 175.26 173.80 3b3b n PRO 70 N 5.30 2.03 -3.54 4.30 -0.02 -1.26 -0.82 135.00 140.97 3b3b n PRO 70 Ca -0.01 0.74 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 3b3b n PRO 70 Cb 0.49 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 3b3b n PRO 70 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3b3b s TRP 71 N 2.45 3.58 -0.13 6.00 -0.11 -0.22 -4.89 118.94 125.61 3b3b s TRP 71 Ca 0.87 0.76 0.16 0.00 1.22 0.00 0.00 56.10 59.11 3b3b s TRP 71 Cb -0.73 -2.29 -0.23 0.00 -1.50 0.00 0.00 33.47 28.71 3b3b s TRP 71 CO 0.46 0.44 0.40 0.25 -4.62 0.00 0.00 176.95 173.88 3b3b n THR 72 N 2.75 0.00 -2.45 5.86 -2.24 -1.26 -4.76 114.28 112.18 3b3b n THR 72 Ca -0.13 -0.33 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 3b3b n THR 72 Cb 0.52 0.28 0.01 0.00 -2.10 0.00 0.00 70.33 69.04 3b3b n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b3b n ALA 73 N -1.94 5.35 -2.85 6.98 0.00 -1.26 -4.91 120.51 121.88 3b3b n ALA 73 Ca -0.02 -4.41 -0.10 0.00 0.00 0.00 0.00 53.44 48.91 3b3b n ALA 73 Cb 0.38 -2.86 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 3b3b n ALA 73 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3b3b s TRP 74 N -0.22 -0.04 -0.02 0.00 1.48 -1.26 -0.63 118.94 118.25 3b3b s TRP 74 Ca 0.38 -0.32 -0.11 0.00 -1.06 0.00 0.00 56.10 54.98 3b3b s TRP 74 Cb 0.09 0.14 0.02 0.00 -1.16 0.00 0.00 33.47 32.55 3b3b s TRP 74 CO 0.02 -0.66 0.24 -1.59 -4.06 0.00 0.00 176.95 170.90 3b3b s LYS 75 N -3.84 0.55 -0.03 3.25 -2.85 -0.47 -5.00 119.74 111.36 3b3b s LYS 75 Ca 0.05 -0.19 -0.16 0.00 -1.00 0.00 0.00 55.97 54.67 3b3b s LYS 75 Cb 0.03 0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.99 3b3b s LYS 75 CO -0.10 -0.14 0.42 -1.21 0.10 0.00 0.00 175.35 174.42 3b3b s GLU 76 N -1.15 4.04 0.15 1.78 2.02 -1.26 -0.70 118.70 123.57 3b3b s GLU 76 Ca -0.12 0.42 0.03 0.00 0.02 0.00 0.00 54.97 55.31 3b3b s GLU 76 Cb -0.06 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 3b3b s GLU 76 CO 0.03 0.56 0.09 -0.85 0.02 0.00 0.00 175.26 175.11 3b3b n GLU 77 N 2.29 0.44 -1.59 1.61 0.28 -0.37 -4.99 120.64 118.31 3b3b n GLU 77 Ca -0.12 -1.41 -0.48 0.00 -0.16 0.00 0.00 57.16 54.98 3b3b n GLU 77 Cb 0.52 0.98 -0.05 0.00 1.43 0.00 0.00 31.44 34.32 3b3b n GLU 77 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3b3b n GLU 78 N -0.32 1.72 -1.06 3.44 4.07 -1.26 -1.19 120.64 126.04 3b3b n GLU 78 Ca 0.01 0.56 -0.02 0.00 -0.06 0.00 0.00 57.16 57.64 3b3b n GLU 78 Cb 0.25 -2.69 -0.01 0.00 -0.06 0.00 0.00 31.44 28.93 3b3b n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3b3b n GLY 79 N 5.42 0.49 3.31 8.31 0.00 -1.26 -4.98 105.19 116.47 3b3b n GLY 79 Ca 0.31 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 3b3b n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3b s ALA 80 N -1.78 -0.95 -0.17 4.61 0.00 -0.33 -1.56 121.76 121.57 3b3b s ALA 80 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.22 3b3b s ALA 80 Cb 0.00 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.48 3b3b s ALA 80 CO 0.00 -0.45 -0.20 -1.17 0.00 0.00 0.00 175.76 173.94 3b3b s LEU 81 N -2.02 2.09 -0.25 0.00 2.96 0.01 -1.24 118.68 120.24 3b3b s LEU 81 Ca -0.05 -0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 53.18 3b3b s LEU 81 Cb -0.01 -1.45 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 3b3b s LEU 81 CO -0.03 0.01 0.00 -0.69 -1.32 0.00 0.00 176.35 174.32 3b3b s VAL 82 N 1.23 3.57 -0.18 1.68 1.01 0.12 -0.50 120.40 127.32 3b3b s VAL 82 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3b3b s VAL 82 Cb -0.13 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3b3b s VAL 82 CO -0.11 0.28 -0.10 -0.63 0.00 0.00 0.00 175.10 174.54 3b3b s ILE 83 N 1.48 3.08 0.26 2.22 1.01 0.44 -1.36 121.20 128.32 3b3b s ILE 83 Ca 0.04 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.14 3b3b s ILE 83 Cb -0.16 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3b3b s ILE 83 CO -0.01 0.48 0.23 -0.44 0.00 0.00 0.00 174.94 175.20 3b3b s SER 84 N 1.02 5.60 -0.86 3.58 0.01 0.20 -0.23 113.70 123.03 3b3b s SER 84 Ca -0.01 -0.24 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 3b3b s SER 84 Cb -0.15 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.68 3b3b s SER 84 CO -0.01 -0.09 0.73 0.59 0.41 0.00 0.00 173.24 174.87 3b3b n ASN 85 N -1.24 -3.14 -4.92 2.44 3.02 -1.26 -4.80 115.26 105.36 3b3b n ASN 85 Ca -0.07 -0.40 -0.29 0.00 -0.03 0.00 0.00 54.58 53.79 3b3b n ASN 85 Cb 0.58 -3.63 -0.04 0.00 -0.61 0.00 0.00 39.78 36.09 3b3b n ASN 85 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3b3b s LEU 86 N -5.09 4.28 1.12 3.41 1.43 -1.26 -5.10 118.68 117.46 3b3b s LEU 86 Ca 0.15 0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.44 3b3b s LEU 86 Cb -0.07 -3.10 0.25 0.00 0.03 0.00 0.00 46.19 43.30 3b3b s LEU 86 CO 0.50 0.04 1.16 -2.16 0.23 0.00 0.00 176.35 176.12 3b3b s PRO 87 N -3.02 -0.56 0.25 1.29 0.04 -1.26 -4.96 135.00 126.78 3b3b s PRO 87 Ca 0.37 -0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.32 3b3b s PRO 87 Cb -0.12 -1.68 0.31 0.00 0.04 0.00 0.00 34.50 33.06 3b3b s PRO 87 CO 0.28 -3.27 1.64 1.49 0.04 0.00 0.00 177.00 177.18 3b3b h GLU 88 N -2.26 0.43 -4.44 4.56 4.81 -1.95 -3.44 114.58 112.30 3b3b h GLU 88 Ca -0.45 -0.21 -0.36 0.00 -0.13 0.00 0.00 59.36 58.20 3b3b h GLU 88 Cb 1.28 -0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.37 3b3b h GLU 88 CO 0.38 0.76 -0.77 1.03 -0.73 0.00 0.00 179.01 179.68 3b3b s ARG 89 N -4.21 0.59 0.05 1.92 0.52 -1.26 -0.04 118.95 116.52 3b3b s ARG 89 Ca -0.06 -0.23 -0.27 0.00 -0.52 0.00 0.00 55.73 54.65 3b3b s ARG 89 Cb 0.13 -0.58 0.09 0.00 0.52 0.00 0.00 34.95 35.11 3b3b s ARG 89 CO 0.80 0.12 0.87 -0.59 0.02 0.00 0.00 175.30 176.52 3b3b s PHE 90 N -0.03 -0.32 -0.32 -0.53 -0.12 -0.89 -5.02 117.98 110.75 3b3b s PHE 90 Ca 0.01 0.13 -0.13 0.00 -0.05 0.00 0.00 56.93 56.89 3b3b s PHE 90 Cb -0.04 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 3b3b s PHE 90 CO -0.00 -0.65 0.27 0.99 -0.05 0.00 0.00 175.22 175.78 3b3b s THR 91 N -3.24 5.25 -0.16 -4.49 2.01 -1.26 -0.88 115.64 112.87 3b3b s THR 91 Ca 0.06 0.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.91 3b3b s THR 91 Cb -0.01 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3b3b s THR 91 CO -0.07 0.05 0.42 -0.22 -0.69 0.00 0.00 174.62 174.12 3b3b s LEU 92 N 1.83 4.22 -0.17 4.42 2.96 0.54 -0.33 118.68 132.15 3b3b s LEU 92 Ca 0.08 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3b3b s LEU 92 Cb -0.17 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 43.96 3b3b s LEU 92 CO 0.11 -0.03 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.15 3b3b s LYS 93 N 0.94 3.00 -0.08 1.98 2.20 0.05 -0.38 119.74 127.44 3b3b s LYS 93 Ca 0.22 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 55.03 3b3b s LYS 93 Cb -0.15 -2.53 -0.01 0.00 -1.51 0.00 0.00 37.83 33.63 3b3b s LYS 93 CO 0.08 -0.16 -0.19 0.42 -0.36 0.00 0.00 175.35 175.14 3b3b s ILE 94 N 1.17 2.55 -0.09 5.43 -1.09 -0.21 -0.84 121.20 128.12 3b3b s ILE 94 Ca 0.02 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.60 3b3b s ILE 94 Cb -0.14 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.74 3b3b s ILE 94 CO -0.10 0.56 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.34 3b3b s ILE 95 N -0.04 2.49 0.12 2.92 1.01 -0.75 -0.54 121.20 126.42 3b3b s ILE 95 Ca -0.05 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 3b3b s ILE 95 Cb -0.14 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.37 3b3b s ILE 95 CO 0.05 0.56 0.32 0.54 0.00 0.00 0.00 174.94 176.40 3b3b s ASN 96 N 0.06 -0.06 0.09 3.58 4.22 -0.44 -0.15 114.94 122.23 3b3b s ASN 96 Ca -0.08 -0.54 0.07 0.00 -2.14 0.00 0.00 52.86 50.17 3b3b s ASN 96 Cb -0.15 0.43 -0.04 0.00 1.28 0.00 0.00 41.25 42.77 3b3b s ASN 96 CO 0.05 -0.83 -0.13 -1.61 -2.04 0.00 0.00 177.10 172.54 3b3b s GLU 97 N -3.86 2.05 0.19 3.55 2.02 0.24 -0.54 118.70 122.35 3b3b s GLU 97 Ca 0.06 -1.04 -0.00 0.00 0.02 0.00 0.00 54.97 54.01 3b3b s GLU 97 Cb 0.03 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 3b3b s GLU 97 CO -0.09 0.51 0.10 0.96 0.02 0.00 0.00 175.26 176.76 3b3b s ILE 98 N -1.14 0.17 -0.42 -1.63 -4.36 -0.52 -1.57 121.20 111.74 3b3b s ILE 98 Ca 0.19 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 3b3b s ILE 98 Cb -0.11 -2.40 0.14 0.00 1.25 0.00 0.00 42.46 41.34 3b3b s ILE 98 CO 0.11 -0.13 0.23 -0.55 0.24 0.00 0.00 174.94 174.84 3b3b s SER 99 N -3.17 3.45 0.33 4.36 0.15 -1.26 -0.97 113.70 116.59 3b3b s SER 99 Ca 0.34 -2.51 0.07 0.00 0.70 0.00 0.00 55.95 54.56 3b3b s SER 99 Cb 0.07 -0.86 0.77 0.00 -1.71 0.00 0.00 66.02 64.29 3b3b s SER 99 CO 0.10 -0.28 1.82 -0.65 1.20 0.00 0.00 173.24 175.43 3b3b h PRO 100 N 6.80 0.73 0.00 5.44 0.11 -1.68 -1.81 132.00 141.58 3b3b h PRO 100 Ca 0.01 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3b3b h PRO 100 Cb 0.94 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 3b3b h PRO 100 CO 0.42 0.48 -0.13 0.00 -0.21 0.00 0.00 178.00 178.56 3b3b h ALA 101 N 1.60 1.64 -0.00 -0.75 0.00 -0.93 -1.91 119.26 118.91 3b3b h ALA 101 Ca 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3b3b h ALA 101 Cb 0.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3b3b h ALA 101 CO -0.28 0.17 -0.08 0.00 0.00 0.00 0.00 179.25 179.06 3b3b n ALA 102 N -2.45 2.71 -2.87 0.00 0.00 -0.68 -4.76 120.51 112.46 3b3b n ALA 102 Ca -0.02 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 3b3b n ALA 102 Cb 0.21 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 3b3b n ALA 102 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3b3b s ASN 103 N -2.39 6.68 0.08 0.00 3.84 -0.72 -4.78 114.94 117.66 3b3b s ASN 103 Ca 0.32 -2.12 0.25 0.00 0.21 0.00 0.00 52.86 51.52 3b3b s ASN 103 Cb 0.20 -2.43 0.55 0.00 -0.55 0.00 0.00 41.25 39.02 3b3b s ASN 103 CO 0.45 -1.08 1.47 0.35 -2.79 0.00 0.00 177.10 175.50 3b3b n THR 104 N 5.59 0.25 0.34 -5.21 -2.24 -1.26 -3.80 114.28 107.95 3b3b n THR 104 Ca 0.28 -0.17 0.14 0.00 -2.27 0.00 0.00 64.05 62.02 3b3b n THR 104 Cb 0.48 -0.13 0.38 0.00 -2.10 0.00 0.00 70.33 68.97 3b3b n THR 104 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b3b h ALA 105 N 2.70 1.00 -5.43 6.98 0.00 -1.83 -3.40 119.26 119.28 3b3b h ALA 105 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 3b3b h ALA 105 Cb 0.65 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.57 3b3b h ALA 105 CO 0.00 0.00 -0.63 1.28 0.00 0.00 0.00 179.25 179.90 3b3b n LEU 106 N -2.82 -3.31 -3.98 0.00 4.77 -1.25 -4.85 117.00 105.55 3b3b n LEU 106 Ca 0.03 -0.50 -0.22 0.00 -0.03 0.00 0.00 56.01 55.29 3b3b n LEU 106 Cb 0.42 -2.83 -0.16 0.00 -2.33 0.00 0.00 43.42 38.52 3b3b n LEU 106 CO 0.30 0.59 -0.44 -1.83 -1.33 0.00 0.00 177.39 174.68 3b3b s GLU 107 N -6.17 1.27 0.80 3.23 -1.05 -1.26 -4.72 118.70 110.80 3b3b s GLU 107 Ca 0.52 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 3b3b s GLU 107 Cb -0.23 -1.12 0.00 0.00 -0.44 0.00 0.00 34.13 32.34 3b3b s GLU 107 CO 0.67 0.02 0.00 0.41 0.95 0.00 0.00 175.26 177.31 3b3b n GLY 108 N 3.74 0.54 3.61 -3.83 0.00 0.69 -4.85 105.19 105.09 3b3b n GLY 108 Ca -0.23 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 3b3b n GLY 108 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3b3b s LEU 109 N 0.00 4.04 0.32 0.99 2.96 -1.26 -0.94 118.68 124.80 3b3b s LEU 109 Ca 0.00 0.30 0.07 0.00 -0.22 0.00 0.00 54.13 54.27 3b3b s LEU 109 Cb 0.00 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 3b3b s LEU 109 CO 0.00 -0.17 0.27 -0.72 -1.32 0.00 0.00 176.35 174.41 3b3b s TYR 110 N 2.01 1.72 -0.18 5.38 -0.85 -0.09 -4.24 117.35 121.09 3b3b s TYR 110 Ca 0.15 -1.65 -0.07 0.00 -0.52 0.00 0.00 57.07 54.99 3b3b s TYR 110 Cb -0.16 -0.70 -0.04 0.00 0.38 0.00 0.00 41.96 41.44 3b3b s TYR 110 CO 0.10 -0.86 0.05 -1.14 -1.52 0.00 0.00 175.55 172.18 3b3b s GLN 111 N -3.49 3.93 -0.37 -3.49 0.74 -1.24 -1.10 119.66 114.63 3b3b s GLN 111 Ca 0.41 -0.37 0.04 0.00 0.05 0.00 0.00 55.36 55.48 3b3b s GLN 111 Cb 0.03 -3.18 0.11 0.00 1.10 0.00 0.00 33.01 31.06 3b3b s GLN 111 CO 0.27 0.26 0.09 0.45 -0.55 0.00 0.00 175.29 175.80 3b3b s SER 112 N 0.40 4.64 1.76 6.67 0.15 0.20 -4.97 113.70 122.55 3b3b s SER 112 Ca 0.02 -2.28 0.00 0.00 0.70 0.00 0.00 55.95 54.39 3b3b s SER 112 Cb -0.13 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 3b3b s SER 112 CO 0.01 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.70 3b3b n GLY 113 N 4.08 3.61 0.07 9.45 0.00 -1.26 -1.62 105.19 119.52 3b3b n GLY 113 Ca 0.04 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3b3b n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3b3b n ASP 114 N 8.04 0.76 -4.86 1.61 8.00 -1.26 -4.94 116.55 123.91 3b3b n ASP 114 Ca 0.00 -0.57 -0.31 0.00 0.71 0.00 0.00 54.79 54.62 3b3b n ASP 114 Cb 0.00 0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 3b3b n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3b3b s ALA 115 N -2.88 3.28 -0.10 2.24 0.00 -0.64 -4.87 121.76 118.78 3b3b s ALA 115 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 3b3b s ALA 115 Cb 0.18 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 3b3b s ALA 115 CO 0.69 0.05 -0.03 -0.51 0.00 0.00 0.00 175.76 175.96 3b3b s LEU 116 N -3.63 3.36 0.18 0.00 1.43 0.18 -0.63 118.68 119.57 3b3b s LEU 116 Ca 0.54 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.51 3b3b s LEU 116 Cb -0.10 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3b3b s LEU 116 CO 0.27 0.30 0.42 0.00 0.23 0.00 0.00 176.35 177.57 3b3b s THR 118 N -3.92 3.00 -0.12 0.00 -4.23 -0.92 -0.92 115.64 108.53 3b3b s THR 118 Ca 0.13 -1.66 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3b3b s THR 118 Cb 0.01 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.44 3b3b s THR 118 CO -0.01 -0.05 0.03 -1.58 -0.54 0.00 0.00 174.62 172.47 3b3b s GLN 119 N -2.61 0.45 -0.05 3.99 2.00 -0.11 -4.86 119.66 118.47 3b3b s GLN 119 Ca 0.22 -0.06 0.13 0.00 -2.00 0.00 0.00 55.36 53.65 3b3b s GLN 119 Cb -0.09 -1.42 -0.19 0.00 0.80 0.00 0.00 33.01 32.11 3b3b s GLN 119 CO 0.13 -0.47 0.21 0.00 -0.50 0.00 0.00 175.29 174.66 3b3b s GLU 121 N -2.73 4.65 -0.11 0.00 2.12 -1.22 0.05 118.70 121.47 3b3b s GLU 121 Ca -0.05 1.75 -0.27 0.00 0.36 0.00 0.00 54.97 56.76 3b3b s GLU 121 Cb 0.07 -3.18 -0.28 0.00 0.26 0.00 0.00 34.13 31.00 3b3b s GLU 121 CO 0.54 0.24 0.81 0.00 -0.54 0.00 0.00 175.26 176.32 3b3b h ALA 122 N 3.82 -0.03 -1.14 6.30 0.00 -1.94 -3.42 119.26 122.85 3b3b h ALA 122 Ca -0.47 -0.56 -0.50 0.00 0.00 0.00 0.00 54.91 53.39 3b3b h ALA 122 Cb 1.21 0.03 -0.42 0.00 0.00 0.00 0.00 17.79 18.61 3b3b h ALA 122 CO 0.67 0.12 -0.89 0.39 0.00 0.00 0.00 179.25 179.54 3b3b n GLU 123 N -4.46 2.80 0.06 0.00 1.02 -1.13 -4.72 120.64 114.22 3b3b n GLU 123 Ca -0.11 -4.06 0.04 0.00 -0.02 0.00 0.00 57.16 53.00 3b3b n GLU 123 Cb 0.59 -1.97 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 3b3b n GLU 123 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3b3b h GLY 124 N 2.59 0.00 1.88 0.62 0.00 -0.63 -3.36 103.07 104.17 3b3b h GLY 124 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 3b3b h GLY 124 CO 0.69 0.00 -0.15 -2.75 0.00 0.00 0.00 176.54 174.32 3b3b h PHE 125 N 0.00 0.16 0.00 5.60 3.57 -1.83 -0.86 116.94 123.58 3b3b h PHE 125 Ca -0.10 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3b3b h PHE 125 Cb 1.39 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.08 3b3b h PHE 125 CO 0.00 0.31 0.00 2.89 -2.23 0.00 0.00 178.31 179.28 3b3b n ARG 126 N -4.28 0.08 0.00 1.11 1.85 -1.26 -0.56 116.66 113.60 3b3b n ARG 126 Ca -0.01 0.44 0.15 0.00 -1.00 0.00 0.00 57.85 57.42 3b3b n ARG 126 Cb 0.26 -1.70 0.69 0.00 -1.05 0.00 0.00 32.46 30.66 3b3b n ARG 126 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3b3b n HIS 127 N -1.86 0.00 -0.08 2.89 8.25 -0.33 -0.76 115.22 123.33 3b3b n HIS 127 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 3b3b n HIS 127 Cb 0.12 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.10 3b3b n HIS 127 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3b3b n ILE 128 N -0.62 0.88 -3.96 1.59 5.41 0.27 -4.69 119.36 118.24 3b3b n ILE 128 Ca 0.19 -0.25 -0.09 0.00 1.00 0.00 0.00 62.75 63.59 3b3b n ILE 128 Cb 0.25 -1.53 -0.05 0.00 -0.71 0.00 0.00 39.64 37.60 3b3b n ILE 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3b3b s THR 129 N -2.30 0.01 -0.16 1.39 -1.32 -0.94 -4.87 115.64 107.45 3b3b s THR 129 Ca -0.22 -1.32 -0.29 0.00 -1.21 0.00 0.00 61.69 58.64 3b3b s THR 129 Cb 0.08 -2.12 -0.02 0.00 -1.51 0.00 0.00 72.50 68.93 3b3b s THR 129 CO 0.30 -0.03 1.30 -0.31 -2.21 0.00 0.00 174.62 173.68 3b3b s TYR 130 N -4.00 2.75 0.24 9.09 2.02 -1.26 -4.20 117.35 121.99 3b3b s TYR 130 Ca 0.20 0.92 -0.14 0.00 -0.37 0.00 0.00 57.07 57.69 3b3b s TYR 130 Cb -0.01 -3.56 0.00 0.00 -0.40 0.00 0.00 41.96 37.99 3b3b s TYR 130 CO 0.07 -1.92 0.49 -0.47 -1.57 0.00 0.00 175.55 172.16 3b3b s TYR 131 N 3.59 0.26 -1.29 2.71 5.04 -0.54 -4.89 117.35 122.24 3b3b s TYR 131 Ca 0.57 -0.63 -0.17 0.00 -2.44 0.00 0.00 57.07 54.40 3b3b s TYR 131 Cb -0.23 0.24 0.09 0.00 0.35 0.00 0.00 41.96 42.42 3b3b s TYR 131 CO 0.16 -0.99 1.70 1.28 -1.34 0.00 0.00 175.55 176.36 3b3b n LEU 132 N -0.37 5.11 -3.92 6.97 4.77 -1.26 -0.13 117.00 128.17 3b3b n LEU 132 Ca -0.03 -4.06 -0.42 0.00 -0.03 0.00 0.00 56.01 51.46 3b3b n LEU 132 Cb 0.62 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 3b3b n LEU 132 CO 0.21 0.34 2.14 -0.67 -1.33 0.00 0.00 177.39 178.08 3b3b n ASP 133 N 7.62 4.71 -3.71 -1.43 2.03 -1.26 -4.79 116.55 119.71 3b3b n ASP 133 Ca 0.46 -3.00 -0.12 0.00 0.52 0.00 0.00 54.79 52.65 3b3b n ASP 133 Cb 0.45 -1.56 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 3b3b n ASP 133 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3b3b s ARG 134 N 1.60 0.47 0.00 -0.67 1.70 -1.26 -4.96 118.95 115.83 3b3b s ARG 134 Ca 0.43 0.68 0.23 0.00 -0.47 0.00 0.00 55.73 56.60 3b3b s ARG 134 Cb 0.10 0.15 1.16 0.00 -0.57 0.00 0.00 34.95 35.79 3b3b s ARG 134 CO -0.02 -0.10 1.75 -0.35 -1.08 0.00 0.00 175.30 175.50 3b3b n PRO 135 N 3.36 0.35 -0.04 3.89 -0.04 -1.26 -1.98 135.00 139.27 3b3b n PRO 135 Ca -0.17 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.48 3b3b n PRO 135 Cb 0.56 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 33.01 3b3b n PRO 135 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3b3b n ASP 136 N -1.27 1.37 -4.39 3.54 5.75 -1.21 -4.61 116.55 115.74 3b3b n ASP 136 Ca 0.11 -1.56 -0.42 0.00 -0.01 0.00 0.00 54.79 52.91 3b3b n ASP 136 Cb 0.18 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 40.12 3b3b n ASP 136 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3b3b s VAL 137 N -1.90 4.87 -0.13 2.12 1.01 -0.84 -4.94 120.40 120.59 3b3b s VAL 137 Ca 0.35 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3b3b s VAL 137 Cb 0.19 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3b3b s VAL 137 CO 0.29 -0.37 -0.10 -0.76 0.00 0.00 0.00 175.10 174.16 3b3b s LEU 138 N 1.59 2.87 0.04 3.92 1.02 -1.26 -3.93 118.68 122.94 3b3b s LEU 138 Ca 0.03 -0.26 0.01 0.00 0.02 0.00 0.00 54.13 53.94 3b3b s LEU 138 Cb -0.21 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 3b3b s LEU 138 CO 0.07 0.18 -0.05 0.00 0.02 0.00 0.00 176.35 176.57 3b3b s ALA 139 N 0.24 0.45 -0.22 4.21 0.00 -0.52 -4.56 121.76 121.36 3b3b s ALA 139 Ca -0.07 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 50.82 3b3b s ALA 139 Cb -0.15 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3b3b s ALA 139 CO 0.05 -0.14 0.81 1.03 0.00 0.00 0.00 175.76 177.51 3b3b s ARG 140 N -2.07 4.22 -0.07 0.00 0.52 -0.21 -0.77 118.95 120.58 3b3b s ARG 140 Ca -0.08 0.94 -0.08 0.00 -0.52 0.00 0.00 55.73 55.99 3b3b s ARG 140 Cb -0.06 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 3b3b s ARG 140 CO -0.02 -0.44 0.22 -0.06 0.02 0.00 0.00 175.30 175.02 3b3b s PHE 141 N 2.56 3.62 -0.03 -0.53 0.40 -1.25 -1.20 117.98 121.55 3b3b s PHE 141 Ca 0.35 0.63 0.06 0.00 -0.60 0.00 0.00 56.93 57.37 3b3b s PHE 141 Cb -0.16 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 3b3b s PHE 141 CO 0.09 0.69 -0.20 0.99 0.70 0.00 0.00 175.22 177.50 3b3b s THR 142 N -1.10 1.57 -0.12 0.64 2.01 -0.43 -2.21 115.64 116.00 3b3b s THR 142 Ca 0.20 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 3b3b s THR 142 Cb -0.13 -1.32 0.04 0.00 0.01 0.00 0.00 72.50 71.10 3b3b s THR 142 CO 0.09 0.45 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.55 3b3b s THR 143 N -0.31 0.70 -0.19 -0.82 2.01 0.27 -0.42 115.64 116.89 3b3b s THR 143 Ca 0.04 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 3b3b s THR 143 Cb -0.09 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 3b3b s THR 143 CO 0.00 0.16 0.07 -0.75 -0.69 0.00 0.00 174.62 173.41 3b3b s LYS 144 N 1.82 3.98 -0.12 4.92 2.20 0.73 -0.21 119.74 133.06 3b3b s LYS 144 Ca 0.03 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 3b3b s LYS 144 Cb -0.14 -3.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 3b3b s LYS 144 CO -0.07 0.26 -0.20 0.42 -0.36 0.00 0.00 175.35 175.40 3b3b s ILE 145 N 0.41 1.82 -0.13 5.43 1.01 0.19 -0.53 121.20 129.40 3b3b s ILE 145 Ca 0.03 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3b3b s ILE 145 Cb -0.12 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.73 3b3b s ILE 145 CO 0.00 0.50 -0.20 -0.63 0.00 0.00 0.00 174.94 174.62 3b3b s ILE 146 N 0.78 2.32 0.20 2.92 1.01 0.37 -1.65 121.20 127.14 3b3b s ILE 146 Ca -0.10 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 3b3b s ILE 146 Cb -0.16 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.41 3b3b s ILE 146 CO 0.01 0.54 0.53 0.00 0.00 0.00 0.00 174.94 176.02 3b3b s ALA 147 N 0.60 -0.93 0.05 9.38 0.00 -0.56 -0.29 121.76 130.01 3b3b s ALA 147 Ca -0.11 -0.24 -0.33 0.00 0.00 0.00 0.00 51.96 51.29 3b3b s ALA 147 Cb -0.16 0.86 -0.11 0.00 0.00 0.00 0.00 23.12 23.70 3b3b s ALA 147 CO 0.03 -0.82 1.82 -3.47 0.00 0.00 0.00 175.76 173.33 3b3b n ASP 148 N -0.35 3.69 -0.20 0.00 2.03 -1.26 -1.24 116.55 119.22 3b3b n ASP 148 Ca -0.10 0.99 -0.06 0.00 0.52 0.00 0.00 54.79 56.15 3b3b n ASP 148 Cb 0.62 -1.46 0.10 0.00 -0.72 0.00 0.00 41.12 39.66 3b3b n ASP 148 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3b3b h LYS 149 N 8.54 1.02 -0.25 -0.67 3.64 -1.16 0.28 116.57 127.97 3b3b h LYS 149 Ca -0.47 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 58.56 3b3b h LYS 149 Cb 1.25 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3b3b h LYS 149 CO 0.94 0.92 -0.26 0.82 -2.27 0.00 0.00 179.45 179.59 3b3b h ILE 150 N 0.97 1.31 -0.10 2.00 2.04 -1.91 -2.45 117.51 119.37 3b3b h ILE 150 Ca 0.20 -1.43 -0.23 0.00 1.00 0.00 0.00 64.86 64.39 3b3b h ILE 150 Cb 0.37 1.66 0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3b3b h ILE 150 CO 0.00 0.45 -0.86 0.50 0.00 0.00 0.00 178.15 178.24 3b3b h LYS 151 N 0.33 0.73 -2.11 2.37 3.64 -1.94 -3.39 116.57 116.20 3b3b h LYS 151 Ca 0.04 -0.65 -0.57 0.00 -1.27 0.00 0.00 60.65 58.20 3b3b h LYS 151 Cb 0.83 0.15 -0.41 0.00 -0.41 0.00 0.00 32.23 32.39 3b3b h LYS 151 CO 0.06 1.25 -0.86 0.66 -2.27 0.00 0.00 179.45 178.30 3b3b n TYR 152 N -3.90 1.86 0.23 1.91 4.01 0.08 -4.00 117.16 117.36 3b3b n TYR 152 Ca -0.08 -3.88 0.08 0.00 -0.16 0.00 0.00 57.90 53.86 3b3b n TYR 152 Cb 0.79 -0.46 0.54 0.00 -0.31 0.00 0.00 39.34 39.90 3b3b n TYR 152 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3b3b h PRO 153 N 3.78 0.00 -5.10 -0.72 0.13 -1.40 -3.41 132.00 125.28 3b3b h PRO 153 Ca 0.13 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.63 3b3b h PRO 153 Cb 0.75 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.69 3b3b h PRO 153 CO 0.66 0.23 -0.59 -0.06 -0.23 0.00 0.00 178.00 178.01 3b3b s PHE 154 N -4.13 3.16 -0.24 1.56 0.08 -0.43 -5.00 117.98 112.98 3b3b s PHE 154 Ca -0.02 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.88 3b3b s PHE 154 Cb 0.13 -2.17 0.06 0.00 -0.57 0.00 0.00 43.02 40.47 3b3b s PHE 154 CO 0.65 -0.11 -0.03 -0.51 -0.10 0.00 0.00 175.22 175.12 3b3b s LEU 155 N 1.05 2.42 -0.00 -0.37 1.43 -1.26 -1.51 118.68 120.44 3b3b s LEU 155 Ca 0.04 -1.18 0.08 0.00 -1.03 0.00 0.00 54.13 52.05 3b3b s LEU 155 Cb -0.14 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 3b3b s LEU 155 CO 0.03 -0.26 -0.25 -0.76 0.23 0.00 0.00 176.35 175.34 3b3b s LEU 156 N 1.46 2.08 0.00 1.79 1.43 0.08 -4.90 118.68 120.61 3b3b s LEU 156 Ca -0.04 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3b3b s LEU 156 Cb -0.19 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 3b3b s LEU 156 CO -0.07 0.29 0.31 -0.24 0.23 0.00 0.00 176.35 176.87 3b3b n SER 157 N 2.30 -0.86 -4.77 2.29 2.88 -1.26 -1.22 113.62 112.98 3b3b n SER 157 Ca -0.16 -2.39 -0.40 0.00 -1.33 0.00 0.00 58.87 54.59 3b3b n SER 157 Cb 0.52 1.66 0.00 0.00 -0.75 0.00 0.00 64.21 65.64 3b3b n SER 157 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3b3b s ASN 158 N -2.56 6.13 0.06 -3.46 -0.87 -1.24 -4.80 114.94 108.21 3b3b s ASN 158 Ca 0.22 2.77 0.00 0.00 -1.57 0.00 0.00 52.86 54.29 3b3b s ASN 158 Cb -0.00 -2.65 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 3b3b s ASN 158 CO 0.16 -0.98 0.00 0.61 -2.57 0.00 0.00 177.10 174.31 3b3b n GLY 159 N 0.62 0.88 3.48 0.66 0.00 -1.26 -3.95 105.19 105.63 3b3b n GLY 159 Ca 0.04 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 3b3b n GLY 159 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b3b s ASN 160 N -4.00 3.89 -0.10 1.61 0.01 -0.16 -4.84 114.94 111.35 3b3b s ASN 160 Ca 0.00 -0.49 -0.30 0.00 -0.71 0.00 0.00 52.86 51.37 3b3b s ASN 160 Cb 0.00 -0.60 -0.03 0.00 0.41 0.00 0.00 41.25 41.03 3b3b s ASN 160 CO 0.00 0.21 1.28 -0.13 -1.51 0.00 0.00 177.10 176.95 3b3b s ARG 161 N -1.84 4.28 -0.00 -0.60 0.52 -1.26 -0.80 118.95 119.24 3b3b s ARG 161 Ca 0.17 1.73 0.04 0.00 -0.52 0.00 0.00 55.73 57.15 3b3b s ARG 161 Cb -0.11 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.63 3b3b s ARG 161 CO 0.08 -0.61 0.15 1.33 0.02 0.00 0.00 175.30 176.27 3b3b n VAL 162 N 5.03 0.00 -3.50 3.52 0.24 0.24 -4.95 118.33 118.91 3b3b n VAL 162 Ca 0.13 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 3b3b n VAL 162 Cb 0.45 0.78 -0.05 0.00 -1.47 0.00 0.00 33.84 33.55 3b3b n VAL 162 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3b3b s ALA 163 N -1.73 -1.69 -0.07 2.33 0.00 -1.15 -4.98 121.76 114.47 3b3b s ALA 163 Ca 0.00 1.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 3b3b s ALA 163 Cb 0.03 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.45 3b3b s ALA 163 CO 0.18 -0.47 0.61 1.14 0.00 0.00 0.00 175.76 177.22 3b3b s GLN 164 N -1.88 0.95 0.24 0.00 -2.07 -1.26 -0.08 119.66 115.56 3b3b s GLN 164 Ca -0.08 0.28 -0.19 0.00 -1.82 0.00 0.00 55.36 53.54 3b3b s GLN 164 Cb -0.00 0.45 0.03 0.00 -1.09 0.00 0.00 33.01 32.39 3b3b s GLN 164 CO 0.04 -0.27 0.63 0.20 -1.32 0.00 0.00 175.29 174.56 3b3b s GLY 165 N -1.00 -0.09 0.09 2.60 0.00 -0.52 -4.99 107.32 103.40 3b3b s GLY 165 Ca -0.10 -0.24 0.07 0.00 0.00 0.00 0.00 44.72 44.45 3b3b s GLY 165 CO 0.08 -0.16 -0.12 -0.54 0.00 0.00 0.00 173.10 172.36 3b3b s GLU 166 N -3.90 2.12 0.41 2.90 2.02 -1.26 -0.67 118.70 120.32 3b3b s GLU 166 Ca 0.10 -1.01 0.04 0.00 0.02 0.00 0.00 54.97 54.13 3b3b s GLU 166 Cb -0.03 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.86 3b3b s GLU 166 CO 0.02 0.52 0.05 -0.51 0.02 0.00 0.00 175.26 175.35 3b3b s LEU 167 N -2.01 2.36 0.86 1.80 1.43 0.14 -4.96 118.68 118.29 3b3b s LEU 167 Ca 0.20 -1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 51.68 3b3b s LEU 167 Cb -0.11 -0.55 0.11 0.00 0.03 0.00 0.00 46.19 45.67 3b3b s LEU 167 CO 0.11 -0.69 1.10 -1.83 0.23 0.00 0.00 176.35 175.28 3b3b s GLU 168 N -3.80 1.59 -1.34 1.70 -1.05 -1.26 -3.93 118.70 110.60 3b3b s GLU 168 Ca 0.26 0.64 -0.01 0.00 -0.15 0.00 0.00 54.97 55.71 3b3b s GLU 168 Cb 0.06 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.89 3b3b s GLU 168 CO 0.13 -1.97 0.10 0.09 0.95 0.00 0.00 175.26 174.57 3b3b n ASN 169 N -3.67 -4.87 -0.71 0.83 3.02 -1.26 -3.16 115.26 105.44 3b3b n ASN 169 Ca 0.07 -0.06 -0.09 0.00 -0.03 0.00 0.00 54.58 54.47 3b3b n ASN 169 Cb 0.56 -3.93 -0.03 0.00 -0.61 0.00 0.00 39.78 35.77 3b3b n ASN 169 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b3b n GLY 170 N -1.09 0.89 3.90 7.41 0.00 -1.26 -4.97 105.19 110.08 3b3b n GLY 170 Ca -0.17 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 3b3b n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b3b s ARG 171 N -2.98 3.27 0.22 1.61 0.52 -1.19 -0.68 118.95 119.72 3b3b s ARG 171 Ca 0.00 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.44 3b3b s ARG 171 Cb 0.00 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 3b3b s ARG 171 CO 0.00 0.49 0.23 -3.38 0.02 0.00 0.00 175.30 172.66 3b3b s HIS 172 N -1.82 0.94 0.04 -0.53 -3.43 -0.37 -0.69 115.29 109.43 3b3b s HIS 172 Ca 0.33 -1.20 -0.09 0.00 -0.80 0.00 0.00 55.06 53.31 3b3b s HIS 172 Cb -0.10 -0.34 0.00 0.00 -1.43 0.00 0.00 32.58 30.71 3b3b s HIS 172 CO 0.27 -0.75 0.19 1.67 -2.00 0.00 0.00 174.74 174.13 3b3b s TRP 173 N -4.10 0.06 0.01 0.38 1.48 0.15 -1.49 118.94 115.42 3b3b s TRP 173 Ca 0.34 -0.29 0.01 0.00 -1.06 0.00 0.00 56.10 55.10 3b3b s TRP 173 Cb 0.05 -0.03 -0.01 0.00 -1.16 0.00 0.00 33.47 32.32 3b3b s TRP 173 CO 0.11 -0.43 -0.03 0.08 -4.06 0.00 0.00 176.95 172.62 3b3b s VAL 174 N -2.60 0.21 -0.03 -0.66 1.01 -0.66 -1.44 120.40 116.24 3b3b s VAL 174 Ca -0.05 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.59 3b3b s VAL 174 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 3b3b s VAL 174 CO -0.04 -0.14 -0.26 -1.58 0.00 0.00 0.00 175.10 173.09 3b3b s GLN 175 N -0.58 2.19 0.08 2.72 0.74 0.88 -0.64 119.66 125.05 3b3b s GLN 175 Ca -0.05 -0.92 0.09 0.00 0.05 0.00 0.00 55.36 54.54 3b3b s GLN 175 Cb -0.04 -2.07 -0.04 0.00 1.10 0.00 0.00 33.01 31.96 3b3b s GLN 175 CO -0.00 0.54 -0.22 -1.58 -0.55 0.00 0.00 175.29 173.47 3b3b s TRP 176 N -0.55 2.43 -0.03 1.67 0.52 0.71 -0.59 118.94 123.10 3b3b s TRP 176 Ca 0.08 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 55.89 3b3b s TRP 176 Cb -0.11 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 30.86 3b3b s TRP 176 CO -0.00 0.28 -0.07 -1.14 0.02 0.00 0.00 176.95 176.03 3b3b s GLN 177 N -1.73 0.85 -0.23 4.98 0.74 0.02 -0.57 119.66 123.72 3b3b s GLN 177 Ca 0.15 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.33 3b3b s GLN 177 Cb -0.10 -0.81 0.04 0.00 1.10 0.00 0.00 33.01 33.24 3b3b s GLN 177 CO 0.06 0.07 -0.13 0.34 -0.55 0.00 0.00 175.29 175.08 3b3b s ASP 178 N 0.32 3.98 0.57 6.67 -1.08 -0.94 -0.99 116.67 125.20 3b3b s ASP 178 Ca -0.05 -1.03 0.35 0.00 -0.52 0.00 0.00 52.55 51.30 3b3b s ASP 178 Cb -0.09 -1.55 1.56 0.00 -1.46 0.00 0.00 42.92 41.38 3b3b s ASP 178 CO 0.00 -0.11 2.06 1.55 0.52 0.00 0.00 175.17 179.19 3b3b h PRO 179 N 7.88 0.00 -5.73 4.34 0.13 -1.94 -3.34 132.00 133.34 3b3b h PRO 179 Ca -0.31 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.23 3b3b h PRO 179 Cb 1.09 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 3b3b h PRO 179 CO 0.55 0.01 0.30 -0.06 -0.23 0.00 0.00 178.00 178.56 3b3b s PHE 180 N -3.77 3.34 0.27 1.56 0.08 -1.26 -4.94 117.98 113.26 3b3b s PHE 180 Ca -0.00 1.04 -0.30 0.00 0.12 0.00 0.00 56.93 57.79 3b3b s PHE 180 Cb 0.10 -2.93 -0.13 0.00 -0.57 0.00 0.00 43.02 39.49 3b3b s PHE 180 CO 0.52 -0.29 1.37 -2.30 -0.10 0.00 0.00 175.22 174.42 3b3b n PRO 181 N 5.52 2.07 -3.94 0.24 -0.02 -1.26 -4.70 135.00 132.91 3b3b n PRO 181 Ca 0.02 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.14 3b3b n PRO 181 Cb 0.49 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 3b3b n PRO 181 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3b3b s LYS 182 N -0.86 0.49 0.67 -0.52 -2.85 0.05 -4.73 119.74 111.99 3b3b s LYS 182 Ca 0.64 -0.66 -0.14 0.00 -1.00 0.00 0.00 55.97 54.81 3b3b s LYS 182 Cb -0.62 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.34 3b3b s LYS 182 CO 0.53 -0.11 1.10 -1.25 0.10 0.00 0.00 175.35 175.72 3b3b s PRO 183 N -2.10 2.79 0.43 1.78 0.04 -1.25 -1.44 135.00 135.25 3b3b s PRO 183 Ca -0.09 1.31 0.30 0.00 0.04 0.00 0.00 61.00 62.56 3b3b s PRO 183 Cb -0.04 -1.95 1.25 0.00 0.04 0.00 0.00 34.50 33.79 3b3b s PRO 183 CO -0.02 -1.25 1.88 0.00 0.04 0.00 0.00 177.00 177.65 3b3b n TYR 185 N -2.73 0.79 0.83 0.00 0.18 -1.26 -1.54 117.16 113.44 3b3b n TYR 185 Ca 0.01 0.37 0.12 0.00 1.88 0.00 0.00 57.90 60.28 3b3b n TYR 185 Cb 0.26 -1.09 0.21 0.00 -0.38 0.00 0.00 39.34 38.34 3b3b n TYR 185 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3b3b n LEU 186 N -2.28 2.89 -4.76 -3.48 4.77 -0.94 -3.38 117.00 109.83 3b3b n LEU 186 Ca -0.00 -1.10 -0.41 0.00 -0.03 0.00 0.00 56.01 54.48 3b3b n LEU 186 Cb 0.12 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3b3b n LEU 186 CO 0.14 0.55 0.96 0.12 -1.33 0.00 0.00 177.39 177.83 3b3b s PHE 187 N -1.80 3.16 0.02 -1.77 5.36 -0.59 -3.23 117.98 119.13 3b3b s PHE 187 Ca 0.33 1.39 -0.01 0.00 -0.96 0.00 0.00 56.93 57.68 3b3b s PHE 187 Cb 0.21 -3.62 -0.02 0.00 -0.34 0.00 0.00 43.02 39.25 3b3b s PHE 187 CO 0.31 -1.74 -0.00 0.00 -1.46 0.00 0.00 175.22 172.33 3b3b s ALA 188 N -0.83 0.07 -0.01 11.12 0.00 -1.26 -4.58 121.76 126.26 3b3b s ALA 188 Ca 0.50 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 3b3b s ALA 188 Cb -0.38 0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3b3b s ALA 188 CO 0.48 -0.18 0.02 -1.17 0.00 0.00 0.00 175.76 174.91 3b3b s LEU 189 N -1.50 1.63 -0.02 0.00 0.20 -1.26 -3.62 118.68 114.10 3b3b s LEU 189 Ca -0.15 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.73 3b3b s LEU 189 Cb -0.09 0.01 0.00 0.00 -0.43 0.00 0.00 46.19 45.68 3b3b s LEU 189 CO -0.01 -0.05 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.24 3b3b s VAL 190 N 0.40 0.63 -0.03 1.68 1.01 -0.36 -2.16 120.40 121.57 3b3b s VAL 190 Ca -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3b3b s VAL 190 Cb -0.05 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.79 3b3b s VAL 190 CO -0.01 0.20 -0.04 0.00 0.00 0.00 0.00 175.10 175.25 3b3b s ALA 191 N 0.12 0.53 0.00 5.51 0.00 0.35 -0.74 121.76 127.52 3b3b s ALA 191 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3b3b s ALA 191 Cb -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3b3b s ALA 191 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3b3b n GLY 192 N 3.78 -1.11 3.22 0.00 0.00 -0.57 -0.65 105.19 109.85 3b3b n GLY 192 Ca -0.23 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 3b3b n GLY 192 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b3b s ASP 193 N -4.00 3.49 0.07 1.61 2.15 -1.26 -1.31 116.67 117.42 3b3b s ASP 193 Ca 0.00 -0.53 0.02 0.00 0.43 0.00 0.00 52.55 52.46 3b3b s ASP 193 Cb 0.00 -1.54 -0.04 0.00 -0.30 0.00 0.00 42.92 41.05 3b3b s ASP 193 CO 0.00 0.05 -0.07 -0.36 -0.17 0.00 0.00 175.17 174.63 3b3b s PHE 194 N 1.01 0.77 0.31 -5.34 0.08 -1.26 -4.42 117.98 109.14 3b3b s PHE 194 Ca -0.02 -0.78 -0.22 0.00 0.12 0.00 0.00 56.93 56.03 3b3b s PHE 194 Cb -0.15 -0.46 -0.10 0.00 -0.57 0.00 0.00 43.02 41.75 3b3b s PHE 194 CO -0.04 -0.15 0.86 -0.51 -0.10 0.00 0.00 175.22 175.28 3b3b s ASP 195 N -2.52 7.12 -0.11 1.36 1.01 0.07 -4.84 116.67 118.77 3b3b s ASP 195 Ca 0.04 1.63 0.00 0.00 0.71 0.00 0.00 52.55 54.93 3b3b s ASP 195 Cb 0.00 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.45 3b3b s ASP 195 CO -0.03 -0.11 -0.09 -0.69 0.21 0.00 0.00 175.17 174.45 3b3b s VAL 196 N -1.74 1.12 -0.22 -1.27 1.01 -1.26 -1.21 120.40 116.83 3b3b s VAL 196 Ca 0.51 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 3b3b s VAL 196 Cb -0.15 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3b3b s VAL 196 CO 0.20 0.38 0.46 -0.22 0.00 0.00 0.00 175.10 175.92 3b3b s LEU 197 N 1.44 4.11 -0.07 3.92 2.96 0.28 -4.92 118.68 126.41 3b3b s LEU 197 Ca 0.00 0.54 0.04 0.00 -0.22 0.00 0.00 54.13 54.49 3b3b s LEU 197 Cb -0.13 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 3b3b s LEU 197 CO -0.06 -0.17 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.49 3b3b s ARG 198 N 1.74 2.72 0.09 1.98 0.52 -1.26 -0.52 118.95 124.23 3b3b s ARG 198 Ca 0.21 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.64 3b3b s ARG 198 Cb -0.15 -2.36 0.01 0.00 0.52 0.00 0.00 34.95 32.96 3b3b s ARG 198 CO 0.09 0.45 0.15 -3.47 0.02 0.00 0.00 175.30 172.54 3b3b n ASP 199 N 2.80 -0.43 -3.89 0.23 -0.08 -0.27 -5.00 116.55 109.91 3b3b n ASP 199 Ca -0.17 -1.45 -0.11 0.00 -1.51 0.00 0.00 54.79 51.54 3b3b n ASP 199 Cb 0.52 0.76 -0.13 0.00 2.34 0.00 0.00 41.12 44.61 3b3b n ASP 199 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3b3b s THR 200 N -2.62 0.03 -0.06 5.18 2.01 -1.26 -0.47 115.64 118.45 3b3b s THR 200 Ca 0.06 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.83 3b3b s THR 200 Cb -0.01 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.39 3b3b s THR 200 CO 0.05 -0.14 -0.12 0.12 -0.69 0.00 0.00 174.62 173.84 3b3b s PHE 201 N -0.42 1.38 -0.24 4.92 5.36 -0.55 -4.93 117.98 123.51 3b3b s PHE 201 Ca -0.05 -0.48 -0.08 0.00 -0.96 0.00 0.00 56.93 55.36 3b3b s PHE 201 Cb -0.03 -1.01 -0.03 0.00 -0.34 0.00 0.00 43.02 41.60 3b3b s PHE 201 CO -0.00 -0.25 0.09 0.99 -1.46 0.00 0.00 175.22 174.59 3b3b s THR 202 N 0.60 4.57 0.95 0.12 2.01 -1.26 0.20 115.64 122.83 3b3b s THR 202 Ca -0.13 -0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 3b3b s THR 202 Cb -0.15 -3.13 0.16 0.00 0.01 0.00 0.00 72.50 69.40 3b3b s THR 202 CO 0.03 0.35 1.10 0.42 -0.69 0.00 0.00 174.62 175.83 3b3b s THR 203 N 1.36 2.30 0.46 -0.82 -4.23 0.59 -4.86 115.64 110.43 3b3b s THR 203 Ca 0.05 0.10 0.17 0.00 -1.18 0.00 0.00 61.69 60.83 3b3b s THR 203 Cb -0.15 -2.62 0.35 0.00 1.34 0.00 0.00 72.50 71.43 3b3b s THR 203 CO 0.04 -0.13 1.97 -0.09 -0.54 0.00 0.00 174.62 175.88 3b3b h ARG 204 N -1.72 0.30 -0.02 3.99 2.43 -1.97 0.48 114.38 117.87 3b3b h ARG 204 Ca -0.52 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3b3b h ARG 204 Cb 1.31 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3b3b h ARG 204 CO 0.57 0.20 -0.01 -1.13 -1.51 0.00 0.00 179.97 178.09 3b3b n SER 205 N -4.45 2.05 0.00 -3.80 3.41 -1.26 -4.96 113.62 104.61 3b3b n SER 205 Ca 0.11 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 3b3b n SER 205 Cb 0.45 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3b3b n SER 205 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b3b n GLY 206 N 1.25 0.98 3.70 5.00 0.00 0.16 -5.07 105.19 111.21 3b3b n GLY 206 Ca 0.17 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3b3b n GLY 206 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b3b s ARG 207 N -0.58 4.45 -0.19 1.61 3.52 -1.26 -4.74 118.95 121.75 3b3b s ARG 207 Ca 0.00 1.54 -0.16 0.00 -0.13 0.00 0.00 55.73 56.98 3b3b s ARG 207 Cb 0.00 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3b3b s ARG 207 CO 0.00 -0.26 0.40 -2.00 -0.81 0.00 0.00 175.30 172.63 3b3b s GLU 208 N 1.60 4.19 -0.17 5.12 2.12 -1.26 -0.30 118.70 130.00 3b3b s GLU 208 Ca 0.53 0.23 -0.02 0.00 0.36 0.00 0.00 54.97 56.07 3b3b s GLU 208 Cb -0.23 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 3b3b s GLU 208 CO 0.24 -0.01 -0.10 0.08 -0.54 0.00 0.00 175.26 174.93 3b3b s VAL 209 N 1.21 3.17 -0.07 3.70 1.01 0.13 -4.83 120.40 124.72 3b3b s VAL 209 Ca 0.20 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 3b3b s VAL 209 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3b3b s VAL 209 CO 0.08 0.49 1.13 0.00 0.00 0.00 0.00 175.10 176.79 3b3b s ALA 210 N 0.83 3.46 -0.16 5.51 0.00 -0.02 -1.47 121.76 129.90 3b3b s ALA 210 Ca -0.03 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 3b3b s ALA 210 Cb -0.15 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3b3b s ALA 210 CO 0.01 -0.69 0.04 -0.51 0.00 0.00 0.00 175.76 174.61 3b3b s LEU 211 N 2.10 3.72 -0.07 0.00 1.43 0.37 -0.34 118.68 125.90 3b3b s LEU 211 Ca 0.53 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 3b3b s LEU 211 Cb -0.22 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3b3b s LEU 211 CO 0.21 0.21 0.03 -1.61 0.23 0.00 0.00 176.35 175.42 3b3b s GLU 212 N 0.12 0.36 -0.24 1.70 2.02 -0.37 -1.12 118.70 121.17 3b3b s GLU 212 Ca 0.04 0.17 -0.03 0.00 0.02 0.00 0.00 54.97 55.16 3b3b s GLU 212 Cb -0.12 -0.90 0.01 0.00 0.10 0.00 0.00 34.13 33.22 3b3b s GLU 212 CO 0.01 -0.34 -0.03 -0.51 0.02 0.00 0.00 175.26 174.41 3b3b s LEU 213 N 2.04 3.18 -0.26 1.80 1.43 0.32 -1.05 118.68 126.14 3b3b s LEU 213 Ca 0.05 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 3b3b s LEU 213 Cb -0.12 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3b3b s LEU 213 CO -0.05 -0.10 0.23 -0.31 0.23 0.00 0.00 176.35 176.35 3b3b s TYR 214 N 1.42 3.26 0.12 0.29 2.02 0.44 -0.55 117.35 124.35 3b3b s TYR 214 Ca 0.03 0.24 0.03 0.00 -0.37 0.00 0.00 57.07 57.00 3b3b s TYR 214 Cb -0.16 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 3b3b s TYR 214 CO -0.03 -0.09 -0.09 0.14 -1.57 0.00 0.00 175.55 173.91 3b3b s VAL 215 N 1.56 0.98 0.53 0.71 -7.23 -0.35 -1.14 120.40 115.46 3b3b s VAL 215 Ca 0.09 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.14 3b3b s VAL 215 Cb -0.15 -1.67 -0.07 0.00 0.56 0.00 0.00 36.38 35.06 3b3b s VAL 215 CO 0.09 -0.73 1.09 0.47 -0.31 0.00 0.00 175.10 175.70 3b3b n ASP 216 N 0.06 1.46 -4.62 4.85 8.00 -1.26 -0.75 116.55 124.29 3b3b n ASP 216 Ca -0.12 0.93 -0.50 0.00 0.71 0.00 0.00 54.79 55.80 3b3b n ASP 216 Cb 0.60 -1.43 -0.05 0.00 -0.02 0.00 0.00 41.12 40.21 3b3b n ASP 216 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3b3b n ARG 217 N -0.60 1.45 0.00 -1.24 5.12 -1.26 -1.78 116.66 118.34 3b3b n ARG 217 Ca 0.11 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.55 3b3b n ARG 217 Cb 0.44 -2.20 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 3b3b n ARG 217 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3b3b n GLY 218 N 2.83 0.31 1.07 -0.13 0.00 -1.26 -4.96 105.19 103.06 3b3b n GLY 218 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3b3b n GLY 218 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3b3b n ASN 219 N 0.00 3.49 0.25 1.61 5.03 -0.74 -4.53 115.26 120.37 3b3b n ASN 219 Ca 0.00 -1.98 0.07 0.00 0.87 0.00 0.00 54.58 53.54 3b3b n ASN 219 Cb 0.00 -0.35 0.59 0.00 -1.02 0.00 0.00 39.78 38.99 3b3b n ASN 219 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3b3b h LEU 220 N 3.57 0.00 -1.23 3.41 5.85 -1.93 -0.28 115.31 124.70 3b3b h LEU 220 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3b3b h LEU 220 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3b3b h LEU 220 CO 0.00 0.08 0.00 -2.24 -0.34 0.00 0.00 178.44 175.94 3b3b h ASP 221 N 0.00 0.00 -0.36 1.25 2.03 -1.97 -2.71 116.42 114.66 3b3b h ASP 221 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3b3b h ASP 221 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 3b3b h ASP 221 CO 0.01 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.76 3b3b n ARG 222 N -2.30 2.54 -0.07 4.15 1.74 -0.12 -4.71 116.66 117.89 3b3b n ARG 222 Ca -0.00 -2.03 -0.10 0.00 -0.77 0.00 0.00 57.85 54.95 3b3b n ARG 222 Cb 0.11 -1.31 -0.15 0.00 -1.02 0.00 0.00 32.46 30.09 3b3b n ARG 222 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3b3b n ALA 223 N 0.73 1.48 -0.20 7.54 0.00 -1.02 -1.45 120.51 127.59 3b3b n ALA 223 Ca 0.13 -1.12 0.13 0.00 0.00 0.00 0.00 53.44 52.58 3b3b n ALA 223 Cb 0.44 -0.42 0.45 0.00 0.00 0.00 0.00 19.45 19.92 3b3b n ALA 223 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3b3b h PRO 224 N 0.00 0.52 -0.56 0.00 0.11 -1.84 -2.35 132.00 127.88 3b3b h PRO 224 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3b3b h PRO 224 Cb 2.15 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 33.12 3b3b h PRO 224 CO 0.04 0.35 0.18 2.35 -0.21 0.00 0.00 178.00 180.71 3b3b h TRP 225 N 0.54 0.91 -0.69 0.65 2.91 -1.86 0.32 115.95 118.73 3b3b h TRP 225 Ca 0.39 -0.09 -0.01 0.00 1.13 0.00 0.00 58.89 60.31 3b3b h TRP 225 Cb 0.74 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 29.09 3b3b h TRP 225 CO -0.00 0.76 0.40 0.00 -1.03 0.00 0.00 178.44 178.57 3b3b h ALA 226 N 1.04 0.88 -0.41 2.65 0.00 -1.63 0.83 119.26 122.63 3b3b h ALA 226 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3b3b h ALA 226 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3b3b h ALA 226 CO -0.01 0.38 0.23 1.98 0.00 0.00 0.00 179.25 181.82 3b3b h MET 227 N 0.94 0.57 -0.61 0.00 1.85 -1.17 0.52 114.93 117.04 3b3b h MET 227 Ca 0.24 -0.07 0.02 0.00 -0.61 0.00 0.00 59.70 59.29 3b3b h MET 227 Cb 0.01 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 31.89 3b3b h MET 227 CO -0.04 0.46 0.38 1.15 -0.40 0.00 0.00 176.91 178.46 3b3b h THR 228 N 0.53 1.09 -0.51 -0.77 2.02 -0.59 -1.88 112.91 112.81 3b3b h THR 228 Ca 0.14 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3b3b h THR 228 Cb 0.05 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 3b3b h THR 228 CO -0.02 0.14 0.12 0.28 0.37 0.00 0.00 175.52 176.40 3b3b h SER 229 N 0.76 0.73 0.00 4.18 0.02 -0.37 0.66 113.55 119.53 3b3b h SER 229 Ca 0.24 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3b3b h SER 229 Cb -0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3b3b h SER 229 CO -0.09 0.72 -0.00 0.25 -1.14 0.00 0.00 176.83 176.57 3b3b h LEU 230 N 0.75 -0.00 -0.70 5.07 5.85 -0.53 0.12 115.31 125.88 3b3b h LEU 230 Ca 0.17 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3b3b h LEU 230 Cb 0.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3b3b h LEU 230 CO -0.00 0.13 0.46 0.11 -0.34 0.00 0.00 178.44 178.80 3b3b h LYS 231 N -0.13 0.91 -0.70 1.25 1.57 -1.08 -0.60 116.57 117.79 3b3b h LYS 231 Ca -0.00 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3b3b h LYS 231 Cb 0.13 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 3b3b h LYS 231 CO 0.00 0.60 0.39 -0.91 -0.57 0.00 0.00 179.45 178.97 3b3b h ASN 232 N 0.94 0.58 -0.49 0.86 2.35 -0.63 -0.86 115.58 118.33 3b3b h ASN 232 Ca 0.26 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.02 3b3b h ASN 232 Cb -0.10 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3b3b h ASN 232 CO -0.06 0.37 0.22 0.28 -1.65 0.00 0.00 177.43 176.59 3b3b h SER 233 N 0.72 0.66 -0.24 5.81 0.02 -0.07 -0.80 113.55 119.65 3b3b h SER 233 Ca 0.31 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3b3b h SER 233 Cb 0.20 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3b3b h SER 233 CO -0.19 0.62 0.09 0.24 -1.14 0.00 0.00 176.83 176.45 3b3b h MET 234 N 0.65 0.36 -0.48 3.45 2.86 -0.77 -1.30 114.93 119.70 3b3b h MET 234 Ca 0.17 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3b3b h MET 234 Cb 0.15 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3b3b h MET 234 CO -0.02 0.41 0.29 -0.22 1.06 0.00 0.00 176.91 178.43 3b3b h LYS 235 N 0.23 0.65 -0.53 1.72 1.63 -1.06 -2.71 116.57 116.51 3b3b h LYS 235 Ca 0.08 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3b3b h LYS 235 Cb 0.18 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 3b3b h LYS 235 CO -0.01 0.48 0.22 2.35 -3.45 0.00 0.00 179.45 179.05 3b3b h TRP 236 N 0.64 0.80 -0.37 1.91 7.01 -0.99 -1.12 115.95 123.82 3b3b h TRP 236 Ca 0.17 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 3b3b h TRP 236 Cb -0.00 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 3b3b h TRP 236 CO -0.03 0.65 0.09 0.22 -2.79 0.00 0.00 178.44 176.58 3b3b h ASP 237 N 0.71 0.50 0.01 2.65 3.58 -1.17 0.26 116.42 122.97 3b3b h ASP 237 Ca 0.18 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 3b3b h ASP 237 Cb 0.18 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3b3b h ASP 237 CO -0.02 0.51 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.52 3b3b h GLU 238 N 0.54 -0.02 -0.19 0.28 5.08 -1.15 -1.03 114.58 118.09 3b3b h GLU 238 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3b3b h GLU 238 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3b3b h GLU 238 CO -0.00 0.18 -0.02 0.93 -1.00 0.00 0.00 179.01 179.09 3b3b h GLU 239 N -0.21 0.36 0.09 2.33 5.08 -0.53 -1.49 114.58 120.21 3b3b h GLU 239 Ca -0.00 -0.13 -0.22 0.00 -1.00 0.00 0.00 59.36 58.01 3b3b h GLU 239 Cb 0.20 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3b3b h GLU 239 CO 0.00 0.59 -1.11 -0.09 -1.00 0.00 0.00 179.01 177.40 3b3b h ARG 240 N 0.10 0.19 -0.01 2.33 9.65 -0.60 -3.39 114.38 122.64 3b3b h ARG 240 Ca 0.05 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 3b3b h ARG 240 Cb 0.44 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 3b3b h ARG 240 CO 0.01 1.15 -0.39 1.19 2.80 0.00 0.00 179.97 184.73 3b3b n PHE 241 N -4.12 0.00 -2.54 2.20 3.72 -0.54 -5.00 117.46 111.18 3b3b n PHE 241 Ca -0.22 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.03 3b3b n PHE 241 Cb 0.80 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.35 3b3b n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3b3b n GLY 242 N 1.14 -0.18 3.44 1.37 0.00 -0.50 -4.97 105.19 105.48 3b3b n GLY 242 Ca 0.05 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3b3b n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3b s LEU 243 N -4.46 2.93 0.10 0.99 1.43 -0.77 -4.91 118.68 114.00 3b3b s LEU 243 Ca 0.11 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3b3b s LEU 243 Cb -0.05 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3b3b s LEU 243 CO 0.14 0.19 -0.07 -1.61 0.23 0.00 0.00 176.35 175.22 3b3b s GLU 244 N 0.21 2.23 0.64 1.70 2.02 -1.26 -2.58 118.70 121.66 3b3b s GLU 244 Ca -0.06 -0.98 -0.18 0.00 0.02 0.00 0.00 54.97 53.77 3b3b s GLU 244 Cb -0.15 -2.36 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 3b3b s GLU 244 CO 0.04 0.52 1.27 -0.47 0.02 0.00 0.00 175.26 176.63 3b3b s TYR 245 N -1.24 2.16 -0.02 1.61 5.04 -1.26 -4.96 117.35 118.67 3b3b s TYR 245 Ca 0.23 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 3b3b s TYR 245 Cb -0.11 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.58 3b3b s TYR 245 CO 0.15 -2.72 0.68 -0.40 -1.34 0.00 0.00 175.55 171.93 3b3b n ASP 246 N -1.88 1.37 -4.04 4.32 5.75 -1.26 -5.02 116.55 115.79 3b3b n ASP 246 Ca 0.15 -1.36 -0.26 0.00 -0.01 0.00 0.00 54.79 53.31 3b3b n ASP 246 Cb 0.49 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.52 3b3b n ASP 246 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3b3b n LEU 247 N -0.17 0.00 -0.01 -2.12 4.77 -1.26 -5.08 117.00 113.13 3b3b n LEU 247 Ca 0.00 -2.73 0.08 0.00 -0.03 0.00 0.00 56.01 53.33 3b3b n LEU 247 Cb 0.09 0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 41.53 3b3b n LEU 247 CO 0.00 -0.40 -0.76 0.47 -1.33 0.00 0.00 177.39 175.38 3b3b n ASP 248 N -1.38 0.07 -4.05 -1.43 8.00 -1.26 -4.82 116.55 111.68 3b3b n ASP 248 Ca -0.14 0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.23 3b3b n ASP 248 Cb 0.54 1.74 -0.13 0.00 -0.02 0.00 0.00 41.12 43.25 3b3b n ASP 248 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3b3b s ILE 249 N -3.36 0.68 -0.20 0.53 1.01 -1.26 -0.84 121.20 117.76 3b3b s ILE 249 Ca -0.08 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 3b3b s ILE 249 Cb 0.13 -0.65 0.05 0.00 0.01 0.00 0.00 42.46 42.00 3b3b s ILE 249 CO 0.89 -0.07 -0.05 -0.47 0.00 0.00 0.00 174.94 175.24 3b3b s TYR 250 N -0.75 1.96 -0.09 3.97 5.04 0.53 -4.81 117.35 123.21 3b3b s TYR 250 Ca -0.02 -1.38 -0.02 0.00 -2.44 0.00 0.00 57.07 53.21 3b3b s TYR 250 Cb -0.06 -1.42 -0.03 0.00 0.35 0.00 0.00 41.96 40.80 3b3b s TYR 250 CO 0.00 -0.69 0.00 -1.64 -1.34 0.00 0.00 175.55 171.88 3b3b s MET 251 N 1.54 3.00 -0.06 4.97 -1.94 -0.50 -1.24 119.30 125.09 3b3b s MET 251 Ca -0.02 -0.41 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 3b3b s MET 251 Cb -0.17 -2.80 0.01 0.00 2.01 0.00 0.00 34.83 33.88 3b3b s MET 251 CO -0.07 0.69 -0.13 0.42 -0.01 0.00 0.00 175.02 175.92 3b3b s ILE 252 N -0.85 1.15 -0.15 2.53 1.01 -0.22 -0.77 121.20 123.90 3b3b s ILE 252 Ca 0.13 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3b3b s ILE 252 Cb -0.11 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.33 3b3b s ILE 252 CO 0.02 0.35 -0.18 -0.69 0.00 0.00 0.00 174.94 174.44 3b3b s VAL 253 N 0.47 2.36 -0.25 2.92 1.01 -0.46 -0.42 120.40 126.04 3b3b s VAL 253 Ca -0.11 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 3b3b s VAL 253 Cb -0.14 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3b3b s VAL 253 CO 0.03 0.53 0.64 0.00 0.00 0.00 0.00 175.10 176.30 3b3b s ALA 254 N 0.89 3.61 0.05 5.51 0.00 -0.29 -0.71 121.76 130.81 3b3b s ALA 254 Ca -0.05 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.62 3b3b s ALA 254 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 3b3b s ALA 254 CO -0.02 -0.78 -0.26 0.14 0.00 0.00 0.00 175.76 174.84 3b3b s VAL 255 N 2.44 2.22 -0.05 0.00 -7.23 0.39 -4.54 120.40 113.63 3b3b s VAL 255 Ca 0.27 -1.39 0.14 0.00 -1.81 0.00 0.00 61.98 59.19 3b3b s VAL 255 Cb -0.16 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 34.93 3b3b s VAL 255 CO 0.09 0.35 1.46 0.44 -0.31 0.00 0.00 175.10 177.12 3b3b h ASP 256 N 4.71 0.00 -3.57 4.85 3.32 -1.89 -0.72 116.42 123.12 3b3b h ASP 256 Ca -0.47 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 55.88 3b3b h ASP 256 Cb 1.14 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.40 3b3b h ASP 256 CO 0.44 0.58 -0.56 -0.36 -1.72 0.00 0.00 179.24 177.62 3b3b s PHE 257 N -3.01 3.34 -0.28 4.55 0.08 -1.26 -4.78 117.98 116.62 3b3b s PHE 257 Ca 0.03 -1.67 -0.17 0.00 0.12 0.00 0.00 56.93 55.24 3b3b s PHE 257 Cb 0.09 -2.67 0.09 0.00 -0.57 0.00 0.00 43.02 39.96 3b3b s PHE 257 CO 0.75 -0.82 0.75 0.12 -0.10 0.00 0.00 175.22 175.92 3b3b s PHE 258 N 1.35 -0.96 0.21 0.36 5.36 -1.26 -4.89 117.98 118.15 3b3b s PHE 258 Ca 0.01 1.94 0.12 0.00 -0.96 0.00 0.00 56.93 58.04 3b3b s PHE 258 Cb -0.21 0.56 0.33 0.00 -0.34 0.00 0.00 43.02 43.36 3b3b s PHE 258 CO 0.01 -0.47 1.58 -0.91 -1.46 0.00 0.00 175.22 173.97 3b3b h ASN 259 N 6.69 0.00 0.00 6.13 2.35 -1.93 -3.43 115.58 125.39 3b3b h ASN 259 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 3b3b h ASN 259 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3b3b h ASN 259 CO 0.16 0.62 0.00 0.23 -1.65 0.00 0.00 177.43 176.79 3b3b n MET 260 N -3.65 3.98 -0.07 0.81 2.81 -1.26 -4.96 117.12 114.78 3b3b n MET 260 Ca -0.01 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.83 3b3b n MET 260 Cb 0.64 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.14 3b3b n MET 260 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3b3b n GLY 261 N 5.00 -0.94 3.70 3.03 0.00 -1.26 -4.66 105.19 110.07 3b3b n GLY 261 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 3b3b n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3b s ALA 262 N -2.74 -1.74 -0.03 4.61 0.00 -1.26 -1.10 121.76 119.50 3b3b s ALA 262 Ca -0.16 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3b3b s ALA 262 Cb 0.02 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.74 3b3b s ALA 262 CO 0.23 -0.99 0.00 1.41 0.00 0.00 0.00 175.76 176.42 3b3b s MET 263 N -3.17 0.27 -0.08 0.00 0.00 0.61 -4.99 119.30 111.93 3b3b s MET 263 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 55.69 55.88 3b3b s MET 263 Cb -0.01 -0.45 0.10 0.00 0.00 0.00 0.00 34.83 34.47 3b3b s MET 263 CO -0.00 -0.13 1.41 -0.85 0.00 0.00 0.00 175.02 175.45 3b3b n GLU 264 N 4.09 1.23 -1.64 4.11 0.00 -1.26 -2.07 120.64 125.09 3b3b n GLU 264 Ca -0.27 -0.51 -0.45 0.00 0.00 0.00 0.00 57.16 55.93 3b3b n GLU 264 Cb 0.51 -1.20 -0.02 0.00 0.00 0.00 0.00 31.44 30.72 3b3b n GLU 264 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3b3b n ASN 265 N 0.49 2.26 -4.66 -1.84 3.02 -1.26 -4.70 115.26 108.58 3b3b n ASN 265 Ca 0.10 1.16 -0.46 0.00 -0.03 0.00 0.00 54.58 55.35 3b3b n ASN 265 Cb 0.64 -1.37 -0.04 0.00 -0.61 0.00 0.00 39.78 38.40 3b3b n ASN 265 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3b3b n LYS 266 N 1.58 2.37 -0.65 3.52 3.00 -1.20 -1.39 118.16 125.38 3b3b n LYS 266 Ca 0.11 0.85 0.00 0.00 -0.00 0.00 0.00 58.31 59.27 3b3b n LYS 266 Cb 0.31 -2.82 0.00 0.00 0.00 0.00 0.00 35.03 32.52 3b3b n LYS 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3b3b n GLY 267 N 4.67 0.47 2.45 3.14 0.00 -1.26 -4.13 105.19 110.52 3b3b n GLY 267 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 3b3b n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3b3b n LEU 268 N 0.00 -1.20 -4.77 0.99 7.94 -0.49 -1.40 117.00 118.07 3b3b n LEU 268 Ca 0.00 -4.05 -0.38 0.00 -1.11 0.00 0.00 56.01 50.47 3b3b n LEU 268 Cb 0.00 0.68 -0.02 0.00 0.53 0.00 0.00 43.42 44.60 3b3b n LEU 268 CO 0.00 1.98 0.82 0.20 -1.11 0.00 0.00 177.39 179.28 3b3b s ASN 269 N -0.67 6.61 -0.15 1.96 0.02 0.05 -4.16 114.94 118.61 3b3b s ASN 269 Ca 0.33 2.29 0.01 0.00 -1.02 0.00 0.00 52.86 54.47 3b3b s ASN 269 Cb 0.12 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.79 3b3b s ASN 269 CO -0.15 -0.61 -0.18 -0.63 0.02 0.00 0.00 177.10 175.55 3b3b s ILE 270 N -1.44 2.43 -0.05 0.60 1.01 -0.88 -1.35 121.20 121.53 3b3b s ILE 270 Ca 0.56 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 60.42 3b3b s ILE 270 Cb -0.29 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3b3b s ILE 270 CO 0.37 0.53 -0.21 -0.36 0.00 0.00 0.00 174.94 175.27 3b3b s PHE 271 N 0.81 2.51 0.12 3.97 0.40 0.11 -0.28 117.98 125.62 3b3b s PHE 271 Ca -0.06 -0.46 -0.33 0.00 -0.60 0.00 0.00 56.93 55.48 3b3b s PHE 271 Cb -0.15 -1.60 -0.13 0.00 0.51 0.00 0.00 43.02 41.65 3b3b s PHE 271 CO -0.01 -0.04 1.68 -1.71 0.70 0.00 0.00 175.22 175.84 3b3b n ASN 272 N 2.64 3.37 0.01 1.36 2.85 -0.26 -0.46 115.26 124.76 3b3b n ASN 272 Ca -0.17 1.05 0.23 0.00 -0.11 0.00 0.00 54.58 55.58 3b3b n ASN 272 Cb 0.52 -1.45 0.72 0.00 1.24 0.00 0.00 39.78 40.81 3b3b n ASN 272 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3b3b h SER 273 N 6.88 0.00 -0.21 1.20 0.02 -1.44 0.12 113.55 120.12 3b3b h SER 273 Ca -0.45 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.56 3b3b h SER 273 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 3b3b h SER 273 CO 0.91 0.00 0.18 0.07 -1.14 0.00 0.00 176.83 176.86 3b3b h LYS 274 N 0.00 0.00 -0.55 3.45 2.10 -1.89 -0.87 116.57 118.82 3b3b h LYS 274 Ca 0.27 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.80 3b3b h LYS 274 Cb 1.30 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.56 3b3b h LYS 274 CO -0.00 0.00 0.11 0.66 -2.00 0.00 0.00 179.45 178.22 3b3b n TYR 275 N -4.10 1.87 0.02 0.07 4.01 0.42 -4.52 117.16 114.93 3b3b n TYR 275 Ca 0.02 -1.06 0.00 0.00 -0.16 0.00 0.00 57.90 56.70 3b3b n TYR 275 Cb 0.32 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 3b3b n TYR 275 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3b3b n VAL 276 N -0.18 0.14 -2.75 -0.72 0.31 -0.59 -4.65 118.33 109.89 3b3b n VAL 276 Ca 0.33 0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 64.28 3b3b n VAL 276 Cb 1.19 -1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 33.06 3b3b n VAL 276 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3b3b s LEU 277 N -5.84 4.13 -0.13 7.52 1.43 -0.43 -4.34 118.68 121.02 3b3b s LEU 277 Ca 0.00 1.30 -0.09 0.00 -1.03 0.00 0.00 54.13 54.31 3b3b s LEU 277 Cb 0.00 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 42.84 3b3b s LEU 277 CO 0.00 -0.56 0.32 0.00 0.23 0.00 0.00 176.35 176.34 3b3b s ALA 278 N 2.75 -0.78 0.09 4.21 0.00 -0.53 -4.92 121.76 122.59 3b3b s ALA 278 Ca 0.42 1.07 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 3b3b s ALA 278 Cb -0.16 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3b3b s ALA 278 CO 0.09 -0.19 0.12 -0.98 0.00 0.00 0.00 175.76 174.81 3b3b s ARG 279 N 0.78 0.83 0.55 0.00 1.70 -1.26 -4.41 118.95 117.14 3b3b s ARG 279 Ca -0.05 -1.12 0.28 0.00 -0.47 0.00 0.00 55.73 54.37 3b3b s ARG 279 Cb -0.06 0.30 1.58 0.00 -0.57 0.00 0.00 34.95 36.20 3b3b s ARG 279 CO -0.05 -0.24 2.14 1.79 -1.08 0.00 0.00 175.30 177.85 3b3b h THR 280 N 2.85 0.55 -0.00 4.99 1.35 -1.96 0.04 112.91 120.73 3b3b h THR 280 Ca -0.34 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3b3b h THR 280 Cb 1.19 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3b3b h THR 280 CO 0.58 0.08 -0.38 -0.90 -0.25 0.00 0.00 175.52 174.65 3b3b n ASP 281 N -3.71 0.76 -0.01 5.36 5.75 -1.26 -0.96 116.55 122.48 3b3b n ASP 281 Ca -0.02 -0.58 0.01 0.00 -0.01 0.00 0.00 54.79 54.19 3b3b n ASP 281 Cb 0.18 0.20 -0.05 0.00 -1.03 0.00 0.00 41.12 40.42 3b3b n ASP 281 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3b3b n THR 282 N -1.07 0.18 -4.85 2.12 -2.24 -0.43 -4.46 114.28 103.53 3b3b n THR 282 Ca 0.09 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.40 3b3b n THR 282 Cb 0.34 -0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.26 3b3b n THR 282 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b3b s ALA 283 N -2.33 1.84 0.62 6.98 0.00 -0.13 -4.77 121.76 123.97 3b3b s ALA 283 Ca -0.03 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 3b3b s ALA 283 Cb 0.03 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.79 3b3b s ALA 283 CO 0.27 0.43 0.89 0.95 0.00 0.00 0.00 175.76 178.30 3b3b s THR 284 N -0.68 2.59 0.24 0.00 -4.23 -1.26 -4.29 115.64 108.01 3b3b s THR 284 Ca 0.08 -0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 3b3b s THR 284 Cb -0.09 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 70.92 3b3b s THR 284 CO 0.01 -0.04 1.75 0.44 -0.54 0.00 0.00 174.62 176.24 3b3b h ASP 285 N -0.25 0.40 -0.63 3.99 3.32 -1.94 -0.88 116.42 120.42 3b3b h ASP 285 Ca -0.43 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 3b3b h ASP 285 Cb 1.30 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 3b3b h ASP 285 CO 0.57 0.18 0.39 0.50 -1.72 0.00 0.00 179.24 179.16 3b3b h LYS 286 N 0.54 0.86 -0.38 3.56 3.64 -1.99 -1.34 116.57 121.45 3b3b h LYS 286 Ca 0.41 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.74 3b3b h LYS 286 Cb 0.56 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3b3b h LYS 286 CO -0.35 0.61 0.19 -0.44 -2.27 0.00 0.00 179.45 177.19 3b3b h ASP 287 N 0.86 0.28 -0.29 4.20 3.32 -1.60 0.15 116.42 123.34 3b3b h ASP 287 Ca 0.23 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.33 3b3b h ASP 287 Cb -0.04 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3b3b h ASP 287 CO -0.04 0.21 0.07 1.88 -1.72 0.00 0.00 179.24 179.63 3b3b h TYR 288 N 0.39 0.12 -0.08 4.55 -1.99 -0.91 0.11 116.97 119.16 3b3b h TYR 288 Ca 0.16 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.82 3b3b h TYR 288 Cb 0.06 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 3b3b h TYR 288 CO -0.10 0.04 -0.36 -0.07 -0.00 0.00 0.00 178.16 177.67 3b3b h LEU 289 N 0.18 0.16 -0.35 3.88 3.38 -0.99 -1.09 115.31 120.49 3b3b h LEU 289 Ca 0.13 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3b3b h LEU 289 Cb 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3b3b h LEU 289 CO -0.17 0.51 -0.41 0.44 0.09 0.00 0.00 178.44 178.91 3b3b h ASP 290 N 0.14 0.96 -0.40 -0.43 3.32 -0.35 -0.78 116.42 118.88 3b3b h ASP 290 Ca 0.02 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3b3b h ASP 290 Cb 0.70 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3b3b h ASP 290 CO 0.05 1.25 0.24 0.40 -1.72 0.00 0.00 179.24 179.46 3b3b h ILE 291 N 0.69 1.13 -0.26 0.35 2.04 -0.56 -0.28 117.51 120.61 3b3b h ILE 291 Ca 0.05 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3b3b h ILE 291 Cb 1.00 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3b3b h ILE 291 CO 0.10 0.13 -0.01 -0.08 0.00 0.00 0.00 178.15 178.29 3b3b h GLU 292 N 0.52 0.07 -0.67 2.37 4.81 -1.09 -0.24 114.58 120.35 3b3b h GLU 292 Ca 0.14 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 3b3b h GLU 292 Cb 0.00 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3b3b h GLU 292 CO -0.03 0.04 0.11 0.07 -0.73 0.00 0.00 179.01 178.47 3b3b h ARG 293 N 0.07 1.10 0.10 1.92 0.11 -0.82 -1.52 114.38 115.35 3b3b h ARG 293 Ca 0.13 -0.29 -0.27 0.00 0.10 0.00 0.00 59.98 59.64 3b3b h ARG 293 Cb 0.17 -0.13 0.03 0.00 1.11 0.00 0.00 29.97 31.15 3b3b h ARG 293 CO -0.22 1.01 -1.11 0.28 0.10 0.00 0.00 179.97 180.03 3b3b h VAL 294 N 1.03 1.32 -0.26 0.08 2.07 -0.90 0.26 116.25 119.85 3b3b h VAL 294 Ca 0.20 -2.41 0.06 0.00 0.82 0.00 0.00 66.70 65.38 3b3b h VAL 294 Cb 0.44 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.87 3b3b h VAL 294 CO 0.01 0.72 -0.12 0.40 0.02 0.00 0.00 177.57 178.61 3b3b h ILE 295 N 0.17 0.61 0.13 4.57 1.08 -1.09 -1.15 117.51 121.82 3b3b h ILE 295 Ca -0.17 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.31 3b3b h ILE 295 Cb 1.80 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 36.15 3b3b h ILE 295 CO 0.21 0.00 -0.14 1.23 -0.69 0.00 0.00 178.15 178.76 3b3b h GLY 296 N -0.08 -0.28 -0.11 5.37 0.00 -1.20 -1.85 103.07 104.92 3b3b h GLY 296 Ca 0.14 0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.71 3b3b h GLY 296 CO -0.32 -0.14 -0.26 0.84 0.00 0.00 0.00 176.54 176.66 3b3b h HIS 297 N -0.30 -0.69 -0.53 5.60 -0.00 -0.14 0.26 115.15 119.36 3b3b h HIS 297 Ca 0.01 0.05 -0.10 0.00 -0.00 0.00 0.00 60.37 60.33 3b3b h HIS 297 Cb 0.29 0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 28.05 3b3b h HIS 297 CO -0.14 -0.33 -0.07 0.93 -0.00 0.00 0.00 177.93 178.32 3b3b h GLU 298 N -0.18 0.95 -0.34 5.26 4.39 -1.12 -2.20 114.58 121.35 3b3b h GLU 298 Ca 0.20 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.59 3b3b h GLU 298 Cb 0.49 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3b3b h GLU 298 CO -0.53 0.98 0.20 -0.92 -1.16 0.00 0.00 179.01 177.59 3b3b h TYR 299 N 0.86 0.38 -0.04 4.33 3.20 -0.45 -2.81 116.97 122.44 3b3b h TYR 299 Ca 0.14 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 3b3b h TYR 299 Cb 0.60 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3b3b h TYR 299 CO 0.04 0.22 -0.12 0.74 -1.64 0.00 0.00 178.16 177.40 3b3b h PHE 300 N 0.41 0.05 -0.04 -3.82 0.04 -0.11 -0.50 116.94 112.96 3b3b h PHE 300 Ca 0.13 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.91 3b3b h PHE 300 Cb -0.00 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 3b3b h PHE 300 CO -0.07 0.17 0.08 0.45 -0.60 0.00 0.00 178.31 178.34 3b3b h HIS 301 N 0.05 0.00 -0.96 -0.55 3.86 -1.13 -2.30 115.15 114.12 3b3b h HIS 301 Ca 0.01 0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.43 3b3b h HIS 301 Cb 0.24 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.63 3b3b h HIS 301 CO 0.00 0.00 0.62 -0.97 0.86 0.00 0.00 177.93 178.44 3b3b h ASN 302 N 0.00 0.55 0.00 2.45 -1.24 -1.14 -0.09 115.58 116.12 3b3b h ASN 302 Ca 0.02 0.07 -0.40 0.00 0.71 0.00 0.00 56.30 56.70 3b3b h ASN 302 Cb 0.19 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.14 3b3b h ASN 302 CO -0.00 0.20 -2.21 0.79 -1.29 0.00 0.00 177.43 174.92 3b3b n TRP 303 N -4.61 0.30 -2.90 0.67 7.02 -1.02 -1.43 117.44 115.48 3b3b n TRP 303 Ca 0.22 0.12 -0.44 0.00 -1.02 0.00 0.00 57.50 56.38 3b3b n TRP 303 Cb 0.68 -1.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.54 3b3b n TRP 303 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3b3b n THR 304 N -4.18 4.55 0.00 -0.99 -2.24 -0.90 -2.40 114.28 108.13 3b3b n THR 304 Ca -0.48 -5.02 0.00 0.00 -2.27 0.00 0.00 64.05 56.28 3b3b n THR 304 Cb 0.85 -2.40 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 3b3b n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b3b n GLY 305 N 2.93 3.67 0.04 3.38 0.00 0.07 -4.38 105.19 110.90 3b3b n GLY 305 Ca 0.33 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 3b3b n GLY 305 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3b3b n ASN 306 N 0.00 0.93 -0.20 1.61 4.13 -0.06 -3.57 115.26 118.09 3b3b n ASN 306 Ca 0.00 0.17 0.02 0.00 1.68 0.00 0.00 54.58 56.45 3b3b n ASN 306 Cb 0.00 -0.62 0.27 0.00 -1.54 0.00 0.00 39.78 37.89 3b3b n ASN 306 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3b3b h ARG 307 N -0.48 0.92 -5.05 3.52 2.47 -1.30 -3.33 114.38 111.13 3b3b h ARG 307 Ca 0.00 -0.06 -0.66 0.00 -1.26 0.00 0.00 59.98 58.00 3b3b h ARG 307 Cb 0.47 -0.21 -0.35 0.00 -1.65 0.00 0.00 29.97 28.23 3b3b h ARG 307 CO 0.00 0.61 -0.86 0.08 0.56 0.00 0.00 179.97 180.36 3b3b s VAL 308 N -5.81 2.00 0.00 2.04 1.01 -1.01 -0.10 120.40 118.53 3b3b s VAL 308 Ca -0.11 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3b3b s VAL 308 Cb 0.18 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3b3b s VAL 308 CO 0.78 0.53 0.00 1.07 0.00 0.00 0.00 175.10 177.48 3b3b n THR 309 N 4.49 0.00 -3.97 3.92 5.66 -0.50 -0.75 114.28 123.13 3b3b n THR 309 Ca -0.20 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.45 3b3b n THR 309 Cb 0.50 -0.60 -0.09 0.00 -1.55 0.00 0.00 70.33 68.59 3b3b n THR 309 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3b3b h ARG 311 N 6.54 0.77 -3.32 0.00 2.43 -0.88 -3.35 114.38 116.57 3b3b h ARG 311 Ca -0.39 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3b3b h ARG 311 Cb 1.17 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.50 3b3b h ARG 311 CO 0.70 0.59 0.07 0.16 -1.51 0.00 0.00 179.97 179.98 3b3b s ASP 312 N -6.55 -0.13 0.28 -3.80 1.47 -1.26 -3.29 116.67 103.38 3b3b s ASP 312 Ca -0.10 -0.81 0.26 0.00 1.18 0.00 0.00 52.55 53.08 3b3b s ASP 312 Cb 0.17 0.67 0.89 0.00 -0.34 0.00 0.00 42.92 44.31 3b3b s ASP 312 CO 0.77 -1.28 1.76 -0.50 0.68 0.00 0.00 175.17 176.60 3b3b h TRP 313 N 2.11 0.00 0.00 2.11 4.06 -2.00 -1.57 115.95 120.66 3b3b h TRP 313 Ca -0.23 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.71 3b3b h TRP 313 Cb 1.25 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.41 3b3b h TRP 313 CO 0.50 0.00 -0.04 0.74 -3.56 0.00 0.00 178.44 176.08 3b3b h PHE 314 N 0.00 0.00 -0.25 0.49 0.04 -1.97 -2.01 116.94 113.24 3b3b h PHE 314 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3b3b h PHE 314 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3b3b h PHE 314 CO 0.00 0.04 0.00 1.04 -0.60 0.00 0.00 178.31 178.79 3b3b n GLN 315 N -3.23 2.30 -0.32 1.51 1.13 -0.59 -3.95 117.38 114.23 3b3b n GLN 315 Ca -0.01 -1.20 0.13 0.00 -1.94 0.00 0.00 57.00 53.98 3b3b n GLN 315 Cb 0.24 -1.64 0.31 0.00 0.11 0.00 0.00 30.24 29.26 3b3b n GLN 315 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3b3b h LEU 316 N 1.63 0.50 -2.11 1.08 5.85 -1.51 -0.45 115.31 120.31 3b3b h LEU 316 Ca 0.00 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3b3b h LEU 316 Cb 0.88 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3b3b h LEU 316 CO 0.14 0.10 -0.08 -1.28 -0.34 0.00 0.00 178.44 176.98 3b3b h SER 317 N 0.53 0.00 -0.81 1.25 0.87 -1.81 -0.41 113.55 113.17 3b3b h SER 317 Ca 0.56 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 61.31 3b3b h SER 317 Cb 0.98 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.82 3b3b h SER 317 CO -0.46 0.08 0.22 0.25 -0.53 0.00 0.00 176.83 176.38 3b3b h LEU 318 N 0.00 0.04 0.06 2.23 5.85 -1.43 0.19 115.31 122.25 3b3b h LEU 318 Ca -0.00 0.17 -0.36 0.00 0.84 0.00 0.00 57.88 58.53 3b3b h LEU 318 Cb 0.24 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3b3b h LEU 318 CO 0.01 -0.07 -2.10 2.29 -0.34 0.00 0.00 178.44 178.23 3b3b n LYS 319 N -5.17 0.70 0.02 1.25 2.85 -0.76 -4.13 118.16 112.92 3b3b n LYS 319 Ca 0.18 0.21 -0.18 0.00 -1.05 0.00 0.00 58.31 57.47 3b3b n LYS 319 Cb 0.56 -1.66 -0.12 0.00 -0.65 0.00 0.00 35.03 33.16 3b3b n LYS 319 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3b3b h GLU 320 N 0.03 0.38 -0.44 -1.58 4.39 -0.83 -0.58 114.58 115.94 3b3b h GLU 320 Ca -0.45 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 58.78 3b3b h GLU 320 Cb 2.02 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.80 3b3b h GLU 320 CO 0.04 1.15 0.25 0.78 -1.16 0.00 0.00 179.01 180.07 3b3b h GLY 321 N -0.18 0.65 1.48 -3.84 0.00 -0.68 0.36 103.07 100.86 3b3b h GLY 321 Ca -0.10 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 3b3b h GLY 321 CO 0.13 0.27 -0.50 -2.00 0.00 0.00 0.00 176.54 174.44 3b3b h LEU 322 N 0.58 0.61 -0.24 3.11 5.85 -1.61 -0.55 115.31 123.05 3b3b h LEU 322 Ca 0.16 -0.31 -0.21 0.00 0.84 0.00 0.00 57.88 58.36 3b3b h LEU 322 Cb 0.03 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3b3b h LEU 322 CO -0.03 1.00 -0.89 0.74 -0.34 0.00 0.00 178.44 178.93 3b3b h THR 323 N 0.44 1.43 -0.46 1.05 2.02 -0.95 -1.34 112.91 115.09 3b3b h THR 323 Ca 0.02 -2.45 -0.03 0.00 0.77 0.00 0.00 66.41 64.71 3b3b h THR 323 Cb 1.03 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 3b3b h THR 323 CO 0.10 0.73 0.16 0.58 0.37 0.00 0.00 175.52 177.45 3b3b h VAL 324 N 0.20 1.22 -0.61 3.16 2.07 -0.86 0.95 116.25 122.37 3b3b h VAL 324 Ca -0.06 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 66.83 3b3b h VAL 324 Cb 1.51 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 3b3b h VAL 324 CO 0.15 0.26 0.27 0.15 0.02 0.00 0.00 177.57 178.41 3b3b h PHE 325 N 0.60 0.48 -0.51 1.57 3.57 -0.96 -0.15 116.94 121.54 3b3b h PHE 325 Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3b3b h PHE 325 Cb 0.24 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3b3b h PHE 325 CO 0.01 0.17 0.18 0.00 -2.23 0.00 0.00 178.31 176.44 3b3b h ARG 326 N 0.48 0.78 -0.24 1.11 3.08 -0.90 -0.65 114.38 118.04 3b3b h ARG 326 Ca 0.29 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3b3b h ARG 326 Cb 0.30 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3b3b h ARG 326 CO -0.25 0.71 -0.17 0.38 -1.07 0.00 0.00 179.97 179.57 3b3b h ASP 327 N 0.69 0.41 -0.41 7.04 3.04 -0.32 -0.63 116.42 126.24 3b3b h ASP 327 Ca 0.17 -0.11 -0.11 0.00 -3.24 0.00 0.00 57.03 53.74 3b3b h ASP 327 Cb 0.24 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 38.41 3b3b h ASP 327 CO -0.01 0.60 -0.18 1.56 -2.04 0.00 0.00 179.24 179.17 3b3b h GLN 328 N 0.38 0.84 -0.79 4.15 4.20 -0.71 -1.26 115.11 121.92 3b3b h GLN 328 Ca 0.07 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 3b3b h GLN 328 Cb 0.52 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 3b3b h GLN 328 CO 0.03 0.99 0.34 0.93 -0.67 0.00 0.00 178.83 180.45 3b3b h GLU 329 N 0.65 1.16 0.66 1.46 4.39 -0.85 0.38 114.58 122.43 3b3b h GLU 329 Ca 0.09 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 3b3b h GLU 329 Cb 0.73 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3b3b h GLU 329 CO 0.06 0.93 -0.36 0.35 -1.16 0.00 0.00 179.01 178.82 3b3b h PHE 330 N 1.13 -0.93 -1.00 4.33 3.57 -1.02 0.98 116.94 124.00 3b3b h PHE 330 Ca 0.27 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.79 3b3b h PHE 330 Cb 0.18 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 3b3b h PHE 330 CO 0.02 -0.56 0.65 0.77 -2.23 0.00 0.00 178.31 176.96 3b3b h SER 331 N -0.94 1.08 -0.33 0.41 0.02 -1.16 -1.29 113.55 111.34 3b3b h SER 331 Ca -0.09 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.68 3b3b h SER 331 Cb 0.74 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 3b3b h SER 331 CO 0.12 0.73 -0.48 0.28 -1.14 0.00 0.00 176.83 176.35 3b3b h SER 332 N 1.25 1.00 -0.22 3.07 0.02 -0.83 0.17 113.55 118.00 3b3b h SER 332 Ca 0.40 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3b3b h SER 332 Cb 0.02 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3b3b h SER 332 CO -0.13 1.31 0.04 0.44 -1.14 0.00 0.00 176.83 177.35 3b3b h ASP 333 N 0.72 0.35 0.61 3.07 3.32 -0.49 -3.18 116.42 120.82 3b3b h ASP 333 Ca 0.03 -0.25 -0.17 0.00 0.02 0.00 0.00 57.03 56.67 3b3b h ASP 333 Cb 1.08 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3b3b h ASP 333 CO 0.11 0.51 -0.75 -0.07 -1.72 0.00 0.00 179.24 177.32 3b3b h LEU 334 N 0.17 0.14 0.00 1.55 4.07 -1.19 -3.47 115.31 116.58 3b3b h LEU 334 Ca 0.07 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3b3b h LEU 334 Cb 0.31 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3b3b h LEU 334 CO 0.00 0.84 0.00 0.61 -1.08 0.00 0.00 178.44 178.81 3b3b n GLY 335 N 0.61 4.33 3.57 0.83 0.00 0.57 -4.97 105.19 110.13 3b3b n GLY 335 Ca -0.02 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 3b3b n GLY 335 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b3b s SER 336 N 0.49 6.47 0.21 1.61 0.15 -1.26 -4.86 113.70 116.50 3b3b s SER 336 Ca 0.00 0.15 -0.10 0.00 0.70 0.00 0.00 55.95 56.70 3b3b s SER 336 Cb 0.00 -2.37 0.16 0.00 -1.71 0.00 0.00 66.02 62.10 3b3b s SER 336 CO 0.00 -0.74 1.87 -0.09 1.20 0.00 0.00 173.24 175.47 3b3b h ARG 337 N 8.62 1.04 -0.34 5.44 2.43 -1.86 -1.73 114.38 127.97 3b3b h ARG 337 Ca -0.25 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3b3b h ARG 337 Cb 1.10 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3b3b h ARG 337 CO 0.90 0.72 0.22 0.00 -1.51 0.00 0.00 179.97 180.30 3b3b h ALA 338 N 1.26 0.43 -0.44 2.80 0.00 -1.92 0.09 119.26 121.50 3b3b h ALA 338 Ca 0.28 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3b3b h ALA 338 Cb -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3b3b h ALA 338 CO -0.06 -0.11 -0.03 0.28 0.00 0.00 0.00 179.25 179.33 3b3b h VAL 339 N 0.46 1.27 -0.04 0.00 2.07 -1.86 -0.02 116.25 118.11 3b3b h VAL 339 Ca 0.13 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.57 3b3b h VAL 339 Cb -0.05 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3b3b h VAL 339 CO -0.03 0.37 -0.09 0.78 0.02 0.00 0.00 177.57 178.62 3b3b h ASN 340 N 0.63 -0.27 -0.14 0.57 2.35 -1.12 -0.65 115.58 116.94 3b3b h ASN 340 Ca 0.12 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3b3b h ASN 340 Cb 0.54 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 3b3b h ASN 340 CO 0.03 -0.13 0.01 -0.09 -1.65 0.00 0.00 177.43 175.60 3b3b h ARG 341 N -0.14 0.06 -0.28 0.81 9.65 -0.76 -0.56 114.38 123.16 3b3b h ARG 341 Ca 0.05 -0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.99 3b3b h ARG 341 Cb 0.21 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.71 3b3b h ARG 341 CO -0.13 0.04 -0.17 0.82 2.80 0.00 0.00 179.97 183.34 3b3b h ILE 342 N 0.06 0.52 -0.44 1.20 2.04 -0.90 0.11 117.51 120.10 3b3b h ILE 342 Ca 0.07 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 3b3b h ILE 342 Cb 0.07 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3b3b h ILE 342 CO -0.10 0.00 0.02 0.78 0.00 0.00 0.00 178.15 178.84 3b3b h ASN 343 N -0.13 0.67 0.15 1.72 2.35 -0.75 -0.42 115.58 119.16 3b3b h ASN 343 Ca 0.15 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3b3b h ASN 343 Cb 0.36 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3b3b h ASN 343 CO -0.37 0.73 -0.40 0.78 -1.65 0.00 0.00 177.43 176.52 3b3b h ASN 344 N 0.67 0.34 -0.33 5.81 2.35 -0.64 -1.84 115.58 121.94 3b3b h ASN 344 Ca 0.14 -0.14 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 3b3b h ASN 344 Cb 0.39 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3b3b h ASN 344 CO 0.01 0.71 -0.49 0.58 -1.65 0.00 0.00 177.43 176.60 3b3b h VAL 345 N 0.28 1.27 -0.54 2.81 2.07 -0.56 -1.20 116.25 120.37 3b3b h VAL 345 Ca 0.03 -1.67 0.08 0.00 0.82 0.00 0.00 66.70 65.96 3b3b h VAL 345 Cb 0.82 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 3b3b h VAL 345 CO 0.07 0.55 0.18 0.03 0.02 0.00 0.00 177.57 178.41 3b3b h ARG 346 N 0.71 0.33 -0.56 1.57 3.08 -0.88 0.59 114.38 119.22 3b3b h ARG 346 Ca 0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3b3b h ARG 346 Cb 1.10 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 3b3b h ARG 346 CO 0.11 0.22 0.27 1.15 -1.07 0.00 0.00 179.97 180.65 3b3b h THR 347 N 0.34 1.21 0.28 2.04 2.02 -1.19 0.47 112.91 118.08 3b3b h THR 347 Ca 0.27 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3b3b h THR 347 Cb 0.33 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3b3b h THR 347 CO -0.29 0.24 -0.14 0.24 0.37 0.00 0.00 175.52 175.94 3b3b h MET 348 N 0.76 -0.37 -0.21 6.66 2.86 -0.51 -1.16 114.93 122.96 3b3b h MET 348 Ca 0.19 0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.70 3b3b h MET 348 Cb 0.13 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3b3b h MET 348 CO -0.02 -0.13 -0.52 0.00 1.06 0.00 0.00 176.91 177.30 3b3b h ARG 349 N -0.54 0.60 0.00 1.72 3.08 -0.91 0.72 114.38 119.04 3b3b h ARG 349 Ca -0.04 -0.36 -0.16 0.00 0.07 0.00 0.00 59.98 59.49 3b3b h ARG 349 Cb 0.40 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3b3b h ARG 349 CO 0.06 0.97 -1.37 0.78 -1.07 0.00 0.00 179.97 179.35 3b3b h GLY 350 N 1.02 0.00 0.00 0.04 0.00 -0.96 -3.39 103.07 99.78 3b3b h GLY 350 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3b3b h GLY 350 CO 0.10 0.00 -0.96 1.04 0.00 0.00 0.00 176.54 176.72 3b3b n LEU 351 N -2.90 0.34 -0.07 3.11 4.77 -0.52 -4.29 117.00 117.44 3b3b n LEU 351 Ca -0.09 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 3b3b n LEU 351 Cb 0.83 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.86 3b3b n LEU 351 CO 0.43 0.04 0.51 -0.61 -1.33 0.00 0.00 177.39 176.43 3b3b h GLN 352 N 0.00 0.62 -1.01 3.23 -0.00 -0.86 -2.63 115.11 114.46 3b3b h GLN 352 Ca 0.00 -0.38 0.10 0.00 -0.00 0.00 0.00 58.65 58.37 3b3b h GLN 352 Cb 0.96 0.04 -0.08 0.00 0.00 0.00 0.00 27.48 28.40 3b3b h GLN 352 CO 0.00 0.99 0.64 0.74 0.00 0.00 0.00 178.83 181.20 3b3b h PHE 353 N 0.32 1.17 -0.72 3.99 -1.00 -1.06 -0.09 116.94 119.55 3b3b h PHE 353 Ca 0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3b3b h PHE 353 Cb 0.93 -0.38 -0.03 0.00 3.61 0.00 0.00 35.95 40.08 3b3b h PHE 353 CO 0.08 0.52 0.45 0.00 -1.61 0.00 0.00 178.31 177.75 3b3b h ALA 354 N 1.51 0.91 -0.61 2.45 0.00 -1.76 -1.55 119.26 120.20 3b3b h ALA 354 Ca 0.47 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 3b3b h ALA 354 Cb 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3b3b h ALA 354 CO -0.23 0.36 0.19 1.49 0.00 0.00 0.00 179.25 181.06 3b3b h GLU 355 N 0.97 0.95 0.00 0.00 4.81 -0.78 -2.33 114.58 118.19 3b3b h GLU 355 Ca 0.26 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3b3b h GLU 355 Cb -0.07 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.18 3b3b h GLU 355 CO -0.05 0.85 0.00 -0.44 -0.73 0.00 0.00 179.01 178.63 3b3b h ASP 356 N 0.87 0.00 -0.47 1.04 3.32 -0.58 -1.71 116.42 118.89 3b3b h ASP 356 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3b3b h ASP 356 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3b3b h ASP 356 CO -0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 3b3b n ALA 357 N -1.81 2.41 -2.27 3.45 0.00 -0.63 -4.36 120.51 117.30 3b3b n ALA 357 Ca 0.01 -1.06 -0.21 0.00 0.00 0.00 0.00 53.44 52.17 3b3b n ALA 357 Cb 0.17 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 3b3b n ALA 357 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3b3b s SER 358 N -1.38 5.01 0.63 0.00 1.04 -0.64 -5.01 113.70 113.35 3b3b s SER 358 Ca 0.41 -0.75 0.34 0.00 0.48 0.00 0.00 55.95 56.43 3b3b s SER 358 Cb 0.24 -0.61 1.91 0.00 0.10 0.00 0.00 66.02 67.66 3b3b s SER 358 CO 0.32 -0.61 2.17 -0.65 0.98 0.00 0.00 173.24 175.46 3b3b h PRO 359 N 1.10 0.00 -0.31 4.02 0.11 -1.84 -2.17 132.00 132.91 3b3b h PRO 359 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3b3b h PRO 359 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3b3b h PRO 359 CO 0.59 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.05 3b3b n MET 360 N -3.43 1.80 -1.62 1.05 2.81 -1.26 -4.83 117.12 111.64 3b3b n MET 360 Ca -0.01 -1.23 -0.44 0.00 -1.81 0.00 0.00 57.70 54.20 3b3b n MET 360 Cb 0.23 -1.31 -0.02 0.00 -0.71 0.00 0.00 33.22 31.41 3b3b n MET 360 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3b3b n ALA 361 N 0.48 0.22 -3.13 3.04 0.00 -0.82 -4.99 120.51 115.31 3b3b n ALA 361 Ca 0.13 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.84 3b3b n ALA 361 Cb 0.31 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 3b3b n ALA 361 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3b3b s HIS 362 N -0.93 -0.26 0.85 0.00 -3.43 -1.26 -4.68 115.29 105.58 3b3b s HIS 362 Ca 0.59 0.17 -0.11 0.00 -0.80 0.00 0.00 55.06 54.92 3b3b s HIS 362 Cb -0.67 0.22 0.10 0.00 -1.43 0.00 0.00 32.58 30.80 3b3b s HIS 362 CO 0.59 -0.59 1.09 -2.14 -2.00 0.00 0.00 174.74 171.69 3b3b s PRO 363 N -2.68 1.63 0.56 -0.38 0.02 -1.26 -4.65 135.00 128.24 3b3b s PRO 363 Ca -0.04 1.03 0.25 0.00 0.02 0.00 0.00 61.00 62.26 3b3b s PRO 363 Cb -0.00 -1.84 1.58 0.00 0.02 0.00 0.00 34.50 34.26 3b3b s PRO 363 CO -0.04 -2.04 2.19 -0.84 -0.33 0.00 0.00 177.00 175.94 3b3b h ILE 364 N -1.41 0.70 -3.44 2.83 3.07 -1.78 -3.06 117.51 114.43 3b3b h ILE 364 Ca -0.47 -0.09 -0.72 0.00 1.55 0.00 0.00 64.86 65.13 3b3b h ILE 364 Cb 1.26 1.06 -0.31 0.00 -0.27 0.00 0.00 36.82 38.55 3b3b h ILE 364 CO 0.52 0.02 -0.37 -0.60 -1.05 0.00 0.00 178.15 176.68 3b3b s ARG 365 N -4.71 2.52 0.76 0.16 3.52 -1.04 -4.30 118.95 115.84 3b3b s ARG 365 Ca -0.05 -2.02 -0.14 0.00 -0.13 0.00 0.00 55.73 53.40 3b3b s ARG 365 Cb 0.15 -3.87 0.05 0.00 -1.56 0.00 0.00 34.95 29.73 3b3b s ARG 365 CO 0.59 -1.18 1.18 -2.14 -0.81 0.00 0.00 175.30 172.95 3b3b s PRO 366 N 0.89 2.02 -0.03 5.12 0.02 -1.16 -4.74 135.00 137.11 3b3b s PRO 366 Ca 0.10 1.67 0.19 0.00 0.02 0.00 0.00 61.00 62.98 3b3b s PRO 366 Cb -0.23 -1.83 -0.30 0.00 0.02 0.00 0.00 34.50 32.17 3b3b s PRO 366 CO -0.03 -1.91 0.40 -0.25 -0.33 0.00 0.00 177.00 174.89 3b3b n ASP 367 N -2.98 0.60 -3.72 2.53 8.00 -1.26 -4.71 116.55 115.02 3b3b n ASP 367 Ca 0.13 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.50 3b3b n ASP 367 Cb 0.51 1.83 -0.13 0.00 -0.02 0.00 0.00 41.12 43.31 3b3b n ASP 367 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3b3b s MET 368 N -3.29 0.21 -0.02 -1.24 1.75 -1.26 -1.19 119.30 114.26 3b3b s MET 368 Ca -0.07 0.57 0.00 0.00 -1.25 0.00 0.00 55.69 54.94 3b3b s MET 368 Cb 0.12 -0.11 0.02 0.00 2.84 0.00 0.00 34.83 37.70 3b3b s MET 368 CO 0.80 -0.18 0.01 0.08 -0.65 0.00 0.00 175.02 175.09 3b3b s VAL 369 N 1.39 0.01 -0.20 10.11 1.01 -0.20 -4.97 120.40 127.55 3b3b s VAL 369 Ca -0.08 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 3b3b s VAL 369 Cb -0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 36.38 36.07 3b3b s VAL 369 CO -0.09 0.08 -0.15 -0.38 0.00 0.00 0.00 175.10 174.55 3b3b n ILE 370 N 3.84 1.50 -4.07 2.22 5.41 -1.26 0.12 119.36 127.11 3b3b n ILE 370 Ca -0.23 -0.03 -0.32 0.00 1.00 0.00 0.00 62.75 63.17 3b3b n ILE 370 Cb 0.53 -2.15 -0.15 0.00 -0.71 0.00 0.00 39.64 37.16 3b3b n ILE 370 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3b3b s GLU 371 N -2.49 2.29 0.52 0.38 2.56 -1.26 -4.82 118.70 115.88 3b3b s GLU 371 Ca -0.28 -1.31 0.18 0.00 0.00 0.00 0.00 54.97 53.55 3b3b s GLU 371 Cb 0.07 -2.87 1.31 0.00 2.00 0.00 0.00 34.13 34.64 3b3b s GLU 371 CO 0.44 -0.55 2.13 1.98 -0.56 0.00 0.00 175.26 178.71 3b3b h MET 372 N 7.78 0.00 0.00 4.30 1.85 -2.00 -0.28 114.93 126.58 3b3b h MET 372 Ca -0.21 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.88 3b3b h MET 372 Cb 1.05 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.08 3b3b h MET 372 CO 0.47 0.04 0.00 -0.91 -0.40 0.00 0.00 176.91 176.11 3b3b h ASN 373 N 0.00 0.00 0.55 1.39 2.35 -1.99 -0.71 115.58 117.18 3b3b h ASN 373 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3b3b h ASN 373 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3b3b h ASN 373 CO 0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 3b3b n ASN 374 N -3.01 0.00 -1.00 5.81 3.02 -0.12 -3.78 115.26 116.18 3b3b n ASN 374 Ca -0.02 0.36 0.08 0.00 -0.03 0.00 0.00 54.58 54.97 3b3b n ASN 374 Cb 0.12 -0.44 0.26 0.00 -0.61 0.00 0.00 39.78 39.12 3b3b n ASN 374 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3b3b n PHE 375 N -1.44 1.02 -2.70 3.10 3.72 -0.27 -4.71 117.46 116.17 3b3b n PHE 375 Ca 0.06 -0.77 -0.43 0.00 -0.05 0.00 0.00 57.45 56.25 3b3b n PHE 375 Cb 0.20 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 3b3b n PHE 375 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3b3b n TYR 376 N -0.08 4.03 -4.50 1.38 4.02 -1.25 -4.72 117.16 116.05 3b3b n TYR 376 Ca 0.21 -3.11 -0.25 0.00 -0.01 0.00 0.00 57.90 54.73 3b3b n TYR 376 Cb 0.84 -2.04 -0.10 0.00 -0.02 0.00 0.00 39.34 38.02 3b3b n TYR 376 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3b3b s THR 377 N 0.83 2.37 0.38 -0.72 -4.23 -1.26 -4.99 115.64 108.02 3b3b s THR 377 Ca 0.41 -2.24 0.17 0.00 -1.18 0.00 0.00 61.69 58.84 3b3b s THR 377 Cb 0.03 -2.56 0.37 0.00 1.34 0.00 0.00 72.50 71.68 3b3b s THR 377 CO 0.00 -0.27 1.74 -0.07 -0.54 0.00 0.00 174.62 175.49 3b3b h LEU 378 N 2.08 0.49 0.37 4.79 3.38 -1.97 0.21 115.31 124.67 3b3b h LEU 378 Ca -0.41 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3b3b h LEU 378 Cb 1.25 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3b3b h LEU 378 CO 0.67 0.05 -0.18 0.74 0.09 0.00 0.00 178.44 179.81 3b3b h THR 379 N 0.41 0.51 -0.72 0.22 2.02 -1.95 0.14 112.91 113.55 3b3b h THR 379 Ca 0.64 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3b3b h THR 379 Cb 1.54 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 3b3b h THR 379 CO -0.38 0.10 0.43 0.58 0.37 0.00 0.00 175.52 176.62 3b3b h VAL 380 N -0.90 1.21 0.00 3.16 2.07 -1.72 0.21 116.25 120.28 3b3b h VAL 380 Ca -0.05 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3b3b h VAL 380 Cb 0.54 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3b3b h VAL 380 CO 0.08 0.22 -0.00 1.88 0.02 0.00 0.00 177.57 179.77 3b3b h TYR 381 N 0.99 0.00 0.02 1.57 -1.99 -1.04 -3.20 116.97 113.32 3b3b h TYR 381 Ca 0.26 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 3b3b h TYR 381 Cb -0.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.71 3b3b h TYR 381 CO -0.01 0.00 -0.01 0.93 -0.00 0.00 0.00 178.16 179.07 3b3b h GLU 382 N -0.07 -0.02 -0.43 4.88 3.07 -0.88 0.07 114.58 121.20 3b3b h GLU 382 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 3b3b h GLU 382 Cb 0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3b3b h GLU 382 CO 0.00 0.61 -0.00 -0.22 -1.40 0.00 0.00 179.01 178.00 3b3b h LYS 383 N -0.68 0.69 -0.60 2.33 3.64 -0.97 -1.62 116.57 119.35 3b3b h LYS 383 Ca -0.00 -0.17 0.11 0.00 -1.27 0.00 0.00 60.65 59.31 3b3b h LYS 383 Cb 0.64 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.30 3b3b h LYS 383 CO 0.00 0.71 0.17 0.78 -2.27 0.00 0.00 179.45 178.85 3b3b h GLY 384 N 0.94 0.81 1.11 5.01 0.00 -0.86 -0.91 103.07 109.16 3b3b h GLY 384 Ca 0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 3b3b h GLY 384 CO 0.02 -0.07 0.22 0.00 0.00 0.00 0.00 176.54 176.70 3b3b h ALA 385 N 1.45 1.03 -0.51 3.60 0.00 -0.48 -2.05 119.26 122.30 3b3b h ALA 385 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3b3b h ALA 385 Cb 0.43 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3b3b h ALA 385 CO -0.36 0.65 0.29 0.93 0.00 0.00 0.00 179.25 180.76 3b3b h GLU 386 N 1.06 0.68 -0.19 0.00 4.39 -0.41 0.20 114.58 120.33 3b3b h GLU 386 Ca 0.23 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 3b3b h GLU 386 Cb 0.31 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3b3b h GLU 386 CO -0.01 0.49 -0.11 0.28 -1.16 0.00 0.00 179.01 178.51 3b3b h VAL 387 N 0.70 1.32 -0.63 3.13 2.07 -0.75 0.07 116.25 122.15 3b3b h VAL 387 Ca 0.18 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.58 3b3b h VAL 387 Cb -0.01 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 3b3b h VAL 387 CO -0.03 0.36 0.30 0.40 0.02 0.00 0.00 177.57 178.62 3b3b h ILE 388 N 0.09 0.88 -0.63 4.57 1.08 -0.98 -2.02 117.51 120.51 3b3b h ILE 388 Ca 0.04 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 3b3b h ILE 388 Cb 0.61 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 3b3b h ILE 388 CO 0.03 0.10 0.23 -0.09 -0.69 0.00 0.00 178.15 177.74 3b3b h ARG 389 N 0.55 0.92 -0.73 2.37 2.43 -0.37 -0.63 114.38 118.91 3b3b h ARG 389 Ca 0.30 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3b3b h ARG 389 Cb 0.27 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3b3b h ARG 389 CO -0.23 0.77 0.48 0.52 -1.51 0.00 0.00 179.97 180.00 3b3b h MET 390 N 0.90 0.95 -0.38 0.20 2.86 -0.54 0.21 114.93 119.14 3b3b h MET 390 Ca 0.21 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3b3b h MET 390 Cb 0.20 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3b3b h MET 390 CO -0.02 0.63 0.17 0.82 1.06 0.00 0.00 176.91 179.57 3b3b h ILE 391 N 0.98 0.96 -0.73 -1.22 2.04 -0.66 -0.01 117.51 118.87 3b3b h ILE 391 Ca 0.27 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 66.05 3b3b h ILE 391 Cb -0.09 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 3b3b h ILE 391 CO -0.07 0.07 0.44 -0.74 0.00 0.00 0.00 178.15 177.85 3b3b h HIS 392 N 0.36 0.83 -0.60 1.37 2.76 -0.53 0.15 115.15 119.49 3b3b h HIS 392 Ca 0.16 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3b3b h HIS 392 Cb 0.09 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 3b3b h HIS 392 CO -0.11 0.45 0.34 1.15 -1.30 0.00 0.00 177.93 178.46 3b3b h THR 393 N 0.85 1.19 -0.13 6.26 2.02 -0.22 0.27 112.91 123.16 3b3b h THR 393 Ca 0.30 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 3b3b h THR 393 Cb 0.08 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3b3b h THR 393 CO -0.13 0.20 -0.37 -0.07 0.37 0.00 0.00 175.52 175.51 3b3b h LEU 394 N 0.81 0.28 0.00 2.58 3.38 -0.45 -3.34 115.31 118.56 3b3b h LEU 394 Ca 0.21 -0.11 -0.37 0.00 0.09 0.00 0.00 57.88 57.70 3b3b h LEU 394 Cb 0.03 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 3b3b h LEU 394 CO -0.04 0.63 -2.40 0.18 0.09 0.00 0.00 178.44 176.91 3b3b n LEU 395 N -4.05 0.65 0.00 1.67 4.32 -0.01 -5.07 117.00 114.51 3b3b n LEU 395 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 3b3b n LEU 395 Cb 0.46 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.45 3b3b n LEU 395 CO 0.42 0.59 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 3b3b n GLY 396 N 1.86 -2.06 0.27 -0.72 0.00 0.94 -4.22 105.19 101.26 3b3b n GLY 396 Ca -0.36 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 3b3b n GLY 396 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3b3b h GLU 397 N 0.00 0.80 -0.01 1.61 4.57 -1.96 -0.60 114.58 118.99 3b3b h GLU 397 Ca 0.00 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3b3b h GLU 397 Cb 0.00 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3b3b h GLU 397 CO 0.00 0.53 0.00 1.49 -1.18 0.00 0.00 179.01 179.85 3b3b h GLU 398 N 0.82 0.01 -0.34 1.92 4.81 -1.97 -0.39 114.58 119.45 3b3b h GLU 398 Ca 0.29 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3b3b h GLU 398 Cb 0.07 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3b3b h GLU 398 CO -0.13 0.17 -0.14 -0.91 -0.73 0.00 0.00 179.01 177.27 3b3b h ASN 399 N -0.14 0.58 -0.25 1.04 2.35 -1.70 -1.45 115.58 116.01 3b3b h ASN 399 Ca 0.00 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3b3b h ASN 399 Cb 0.16 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3b3b h ASN 399 CO -0.00 0.74 0.14 0.15 -1.65 0.00 0.00 177.43 176.82 3b3b h PHE 400 N 0.54 0.34 -0.48 1.19 3.57 -0.81 -0.21 116.94 121.08 3b3b h PHE 400 Ca 0.09 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3b3b h PHE 400 Cb 0.55 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3b3b h PHE 400 CO 0.02 0.28 0.03 1.96 -2.23 0.00 0.00 178.31 178.37 3b3b h GLN 401 N 0.30 0.78 -0.73 1.11 1.08 -0.87 -0.05 115.11 116.73 3b3b h GLN 401 Ca 0.09 -0.20 0.04 0.00 -1.45 0.00 0.00 58.65 57.13 3b3b h GLN 401 Cb 0.05 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 3b3b h GLN 401 CO -0.02 0.77 0.45 0.87 -0.95 0.00 0.00 178.83 179.96 3b3b h LYS 402 N 0.73 0.84 -0.41 1.46 1.57 -0.90 -0.45 116.57 119.42 3b3b h LYS 402 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3b3b h LYS 402 Cb 0.41 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3b3b h LYS 402 CO 0.01 0.56 0.26 0.78 -0.57 0.00 0.00 179.45 180.49 3b3b h GLY 403 N 0.87 0.58 0.56 3.86 0.00 -0.21 -0.30 103.07 108.43 3b3b h GLY 403 Ca 0.30 -0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3b3b h GLY 403 CO -0.13 0.22 0.21 -0.33 0.00 0.00 0.00 176.54 176.51 3b3b h MET 404 N 0.54 0.39 -0.68 4.80 2.86 -0.73 0.37 114.93 122.48 3b3b h MET 404 Ca 0.15 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3b3b h MET 404 Cb -0.03 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3b3b h MET 404 CO -0.03 0.26 0.27 1.96 1.06 0.00 0.00 176.91 180.43 3b3b h GLN 405 N 0.40 1.01 -0.42 1.72 4.20 -0.69 -1.55 115.11 119.79 3b3b h GLN 405 Ca 0.24 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 3b3b h GLN 405 Cb 0.24 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3b3b h GLN 405 CO -0.23 0.84 -0.30 1.25 -0.67 0.00 0.00 178.83 179.72 3b3b h LEU 406 N 0.96 0.96 -0.20 1.46 5.85 -0.78 -0.89 115.31 122.67 3b3b h LEU 406 Ca 0.23 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.60 3b3b h LEU 406 Cb 0.21 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3b3b h LEU 406 CO -0.02 1.18 -0.15 0.22 -0.34 0.00 0.00 178.44 179.33 3b3b h TYR 407 N 0.77 -0.36 -0.57 1.25 3.20 -0.65 -0.72 116.97 119.89 3b3b h TYR 407 Ca 0.08 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 3b3b h TYR 407 Cb 0.87 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 3b3b h TYR 407 CO 0.05 -0.21 -0.02 0.74 -1.64 0.00 0.00 178.16 177.08 3b3b h PHE 408 N -0.15 1.11 -0.56 -3.82 0.04 -1.21 -0.62 116.94 111.73 3b3b h PHE 408 Ca 0.12 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.72 3b3b h PHE 408 Cb 0.32 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 3b3b h PHE 408 CO -0.30 1.00 0.33 1.49 -0.60 0.00 0.00 178.31 180.24 3b3b h GLU 409 N 0.90 0.63 -0.01 1.51 4.81 -0.83 -0.24 114.58 121.34 3b3b h GLU 409 Ca 0.16 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.10 3b3b h GLU 409 Cb 0.57 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.83 3b3b h GLU 409 CO 0.03 0.41 -0.98 0.00 -0.73 0.00 0.00 179.01 177.74 3b3b h ARG 410 N 0.64 0.60 -0.00 1.92 3.08 -1.06 -3.40 114.38 116.16 3b3b h ARG 410 Ca 0.23 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3b3b h ARG 410 Cb 0.05 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3b3b h ARG 410 CO -0.11 1.24 -0.01 0.72 -1.07 0.00 0.00 179.97 180.73 3b3b n HIS 411 N -3.82 0.00 -1.65 3.04 8.25 -0.25 -5.00 115.22 115.80 3b3b n HIS 411 Ca -0.09 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.90 3b3b n HIS 411 Cb 0.85 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.92 3b3b n HIS 411 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3b3b n ASP 412 N -0.01 2.59 0.00 0.41 2.03 -0.12 -1.34 116.55 120.12 3b3b n ASP 412 Ca 0.01 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.44 3b3b n ASP 412 Cb 0.06 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 3b3b n ASP 412 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3b3b n GLY 413 N 2.77 0.61 3.40 0.27 0.00 0.86 -5.01 105.19 108.09 3b3b n GLY 413 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 3b3b n GLY 413 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b3b s SER 414 N -2.11 2.03 -0.22 1.61 1.04 -0.45 -5.02 113.70 110.57 3b3b s SER 414 Ca 0.00 -1.60 -0.09 0.00 0.48 0.00 0.00 55.95 54.74 3b3b s SER 414 Cb 0.00 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 3b3b s SER 414 CO 0.00 -0.89 0.11 0.00 0.98 0.00 0.00 173.24 173.44 3b3b s ALA 415 N -3.44 3.46 0.52 5.32 0.00 -1.26 -1.41 121.76 124.95 3b3b s ALA 415 Ca 0.32 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3b3b s ALA 415 Cb 0.04 -2.15 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 3b3b s ALA 415 CO 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 175.76 175.83 3b3b s ALA 416 N 0.92 4.17 0.32 0.00 0.00 0.22 -4.33 121.76 123.07 3b3b s ALA 416 Ca 0.06 -0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.00 3b3b s ALA 416 Cb -0.13 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 3b3b s ALA 416 CO 0.03 -0.04 -0.11 0.95 0.00 0.00 0.00 175.76 176.59 3b3b s THR 417 N -2.93 2.43 0.23 0.00 -4.23 -1.26 -0.35 115.64 109.53 3b3b s THR 417 Ca 0.02 -2.23 -0.07 0.00 -1.18 0.00 0.00 61.69 58.23 3b3b s THR 417 Cb 0.00 -2.55 0.19 0.00 1.34 0.00 0.00 72.50 71.48 3b3b s THR 417 CO 0.02 -0.28 1.72 0.00 -0.54 0.00 0.00 174.62 175.54 3b3b h ASP 419 N 0.36 0.76 -0.62 0.00 3.58 -1.99 -1.55 116.42 116.97 3b3b h ASP 419 Ca 0.37 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.81 3b3b h ASP 419 Cb 0.56 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 3b3b h ASP 419 CO -0.40 0.59 0.37 0.44 -2.88 0.00 0.00 179.24 177.35 3b3b h ASP 420 N 0.88 0.59 -0.16 2.28 3.32 -1.71 -0.18 116.42 121.43 3b3b h ASP 420 Ca 0.23 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3b3b h ASP 420 Cb -0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3b3b h ASP 420 CO -0.04 0.40 0.06 0.15 -1.72 0.00 0.00 179.24 178.10 3b3b h PHE 421 N 0.72 0.23 -0.69 4.55 3.57 -1.02 -1.38 116.94 122.92 3b3b h PHE 421 Ca 0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3b3b h PHE 421 Cb 0.06 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3b3b h PHE 421 CO -0.06 0.30 0.45 0.28 -2.23 0.00 0.00 178.31 177.04 3b3b h VAL 422 N 0.10 1.18 -0.64 1.41 2.07 -1.08 -1.96 116.25 117.34 3b3b h VAL 422 Ca 0.05 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3b3b h VAL 422 Cb 0.16 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3b3b h VAL 422 CO -0.00 0.18 0.25 -0.61 0.02 0.00 0.00 177.57 177.40 3b3b h GLN 423 N 0.94 0.95 -0.78 1.57 4.15 -0.90 -0.56 115.11 120.47 3b3b h GLN 423 Ca 0.25 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3b3b h GLN 423 Cb -0.09 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.40 3b3b h GLN 423 CO -0.05 0.78 0.41 0.00 -1.93 0.00 0.00 178.83 178.03 3b3b h ALA 424 N 1.34 1.00 -0.44 3.38 0.00 -0.79 0.15 119.26 123.90 3b3b h ALA 424 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3b3b h ALA 424 Cb 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3b3b h ALA 424 CO -0.02 0.52 0.02 0.52 0.00 0.00 0.00 179.25 180.29 3b3b h MET 425 N 1.08 0.77 -0.32 0.00 2.86 -0.89 -0.90 114.93 117.52 3b3b h MET 425 Ca 0.27 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3b3b h MET 425 Cb 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3b3b h MET 425 CO -0.04 0.82 0.02 1.49 1.06 0.00 0.00 176.91 180.26 3b3b h GLU 426 N 0.61 0.55 -0.37 1.72 4.81 -0.89 -2.33 114.58 118.68 3b3b h GLU 426 Ca 0.13 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 3b3b h GLU 426 Cb 0.47 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3b3b h GLU 426 CO 0.02 0.67 -0.23 -0.44 -0.73 0.00 0.00 179.01 178.30 3b3b h ASP 427 N 0.36 0.84 -0.03 1.04 3.32 -0.61 -0.15 116.42 121.19 3b3b h ASP 427 Ca 0.09 -0.42 -0.11 0.00 0.02 0.00 0.00 57.03 56.61 3b3b h ASP 427 Cb 0.41 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3b3b h ASP 427 CO 0.01 1.08 -0.31 0.00 -1.72 0.00 0.00 179.24 178.30 3b3b h ALA 428 N 0.78 1.01 0.00 3.45 0.00 -1.19 -3.32 119.26 120.00 3b3b h ALA 428 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3b3b h ALA 428 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3b3b h ALA 428 CO 0.06 0.59 -1.65 -1.13 0.00 0.00 0.00 179.25 177.13 3b3b n SER 429 N -4.08 0.29 -1.53 0.00 3.41 -0.88 -4.85 113.62 105.97 3b3b n SER 429 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.41 3b3b n SER 429 Cb 0.45 1.51 -0.07 0.00 -0.26 0.00 0.00 64.21 65.83 3b3b n SER 429 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3b3b n ASN 430 N -2.29 -5.30 -4.72 4.04 4.13 -0.08 -5.00 115.26 106.04 3b3b n ASN 430 Ca -0.02 0.42 -0.37 0.00 1.68 0.00 0.00 54.58 56.28 3b3b n ASN 430 Cb 0.54 -4.46 -0.07 0.00 -1.54 0.00 0.00 39.78 34.26 3b3b n ASN 430 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3b3b s VAL 431 N -2.73 5.24 -0.23 2.41 1.01 -1.23 -5.04 120.40 119.83 3b3b s VAL 431 Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 3b3b s VAL 431 Cb 0.00 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 3b3b s VAL 431 CO 0.00 0.35 1.19 -0.62 0.00 0.00 0.00 175.10 176.02 3b3b s ASP 432 N 0.60 6.91 -0.18 3.32 2.15 -1.26 -4.48 116.67 123.73 3b3b s ASP 432 Ca 0.21 1.41 0.16 0.00 0.43 0.00 0.00 52.55 54.77 3b3b s ASP 432 Cb -0.14 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.38 3b3b s ASP 432 CO 0.07 -0.83 1.32 0.18 -0.17 0.00 0.00 175.17 175.74 3b3b n LEU 433 N 6.82 3.33 0.02 -1.34 4.77 -1.26 -4.73 117.00 124.61 3b3b n LEU 433 Ca 0.13 -3.18 -0.12 0.00 -0.03 0.00 0.00 56.01 52.81 3b3b n LEU 433 Cb 0.46 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 3b3b n LEU 433 CO 0.57 0.80 0.84 0.28 -1.33 0.00 0.00 177.39 178.55 3b3b h SER 434 N 1.03 0.04 -0.44 -1.43 0.02 -1.99 -2.03 113.55 108.76 3b3b h SER 434 Ca 0.03 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.76 3b3b h SER 434 Cb 1.30 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 3b3b h SER 434 CO 0.16 0.11 -0.25 -0.74 -1.14 0.00 0.00 176.83 174.97 3b3b h HIS 435 N -0.04 1.10 -0.92 3.45 -0.00 -2.02 -3.07 115.15 113.65 3b3b h HIS 435 Ca 0.01 -0.28 0.21 0.00 -0.00 0.00 0.00 60.37 60.31 3b3b h HIS 435 Cb 0.08 -0.25 -0.07 0.00 -0.00 0.00 0.00 27.41 27.18 3b3b h HIS 435 CO -0.05 1.10 0.61 0.35 -0.00 0.00 0.00 177.93 179.94 3b3b h PHE 436 N 0.78 0.51 -0.28 5.26 3.57 -1.81 -1.18 116.94 123.79 3b3b h PHE 436 Ca 0.09 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.69 3b3b h PHE 436 Cb 0.83 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3b3b h PHE 436 CO 0.06 0.12 0.39 0.00 -2.23 0.00 0.00 178.31 176.65 3b3b h ARG 437 N 0.37 0.00 -0.04 1.11 3.08 -1.27 -1.25 114.38 116.39 3b3b h ARG 437 Ca 0.48 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.54 3b3b h ARG 437 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3b3b h ARG 437 CO -0.18 0.00 0.05 -0.09 -1.07 0.00 0.00 179.97 178.68 3b3b h ARG 438 N 0.00 0.00 -0.10 0.04 2.43 -1.41 -0.60 114.38 114.73 3b3b h ARG 438 Ca 0.13 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 3b3b h ARG 438 Cb 0.92 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3b3b h ARG 438 CO -0.00 0.00 0.11 -1.49 -1.51 0.00 0.00 179.97 177.08 3b3b h TRP 439 N 0.00 0.00 0.00 2.20 4.06 -1.44 -0.81 115.95 119.95 3b3b h TRP 439 Ca 0.02 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.84 3b3b h TRP 439 Cb 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 3b3b h TRP 439 CO 0.00 0.00 -0.61 1.88 -3.56 0.00 0.00 178.44 176.15 3b3b h TYR 440 N 0.00 0.00 0.00 0.49 0.05 -1.31 -3.38 116.97 112.82 3b3b h TYR 440 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3b3b h TYR 440 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 3b3b h TYR 440 CO 0.00 0.61 -1.56 0.43 -1.05 0.00 0.00 178.16 176.58 3b3b n SER 441 N -3.32 0.82 -4.42 3.88 7.64 -0.67 -2.51 113.62 115.04 3b3b n SER 441 Ca 0.01 -0.25 -0.33 0.00 1.01 0.00 0.00 58.87 59.31 3b3b n SER 441 Cb 0.75 1.61 -0.13 0.00 -1.01 0.00 0.00 64.21 65.42 3b3b n SER 441 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3b3b s GLN 442 N -3.11 3.50 0.63 1.43 0.74 -0.40 -4.77 119.66 117.69 3b3b s GLN 442 Ca -0.03 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.77 3b3b s GLN 442 Cb 0.12 -2.76 0.08 0.00 1.10 0.00 0.00 33.01 31.55 3b3b s GLN 442 CO 0.75 0.21 0.88 -1.54 -0.55 0.00 0.00 175.29 175.04 3b3b s SER 443 N 0.39 4.86 0.00 6.67 1.04 -1.26 -4.62 113.70 120.78 3b3b s SER 443 Ca -0.08 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.18 3b3b s SER 443 Cb -0.15 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.48 3b3b s SER 443 CO 0.04 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.40 3b3b n GLY 444 N -2.57 -0.90 3.55 7.32 0.00 -1.26 -4.94 105.19 106.39 3b3b n GLY 444 Ca 0.11 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 3b3b n GLY 444 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b3b s THR 445 N -2.67 4.79 0.49 2.61 2.01 -1.26 -5.05 115.64 116.56 3b3b s THR 445 Ca 0.00 -0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.77 3b3b s THR 445 Cb 0.00 -3.23 -0.07 0.00 0.01 0.00 0.00 72.50 69.21 3b3b s THR 445 CO 0.00 0.35 1.18 -2.84 -0.69 0.00 0.00 174.62 172.62 3b3b s PRO 446 N 1.29 3.60 -0.20 4.92 0.02 -1.26 -4.47 135.00 138.90 3b3b s PRO 446 Ca 0.06 1.80 -0.03 0.00 0.02 0.00 0.00 61.00 62.84 3b3b s PRO 446 Cb -0.15 -2.31 -0.01 0.00 0.02 0.00 0.00 34.50 32.06 3b3b s PRO 446 CO 0.05 -0.69 -0.05 0.42 -0.33 0.00 0.00 177.00 176.40 3b3b s ILE 447 N -1.56 3.43 -0.24 2.83 1.01 0.73 -1.11 121.20 126.30 3b3b s ILE 447 Ca 0.66 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 3b3b s ILE 447 Cb -0.29 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3b3b s ILE 447 CO 0.35 0.44 0.01 -0.69 0.00 0.00 0.00 174.94 175.05 3b3b s VAL 448 N 1.21 3.78 -0.16 2.92 1.01 0.41 -1.85 120.40 127.72 3b3b s VAL 448 Ca 0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3b3b s VAL 448 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3b3b s VAL 448 CO -0.01 0.36 0.04 -0.89 0.00 0.00 0.00 175.10 174.60 3b3b s THR 449 N 1.53 4.58 -0.10 3.92 2.01 -0.06 -0.06 115.64 127.46 3b3b s THR 449 Ca 0.06 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 61.97 3b3b s THR 449 Cb -0.15 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.34 3b3b s THR 449 CO -0.00 0.49 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.55 3b3b s VAL 450 N 0.13 1.68 0.09 3.82 1.01 -0.16 -0.67 120.40 126.30 3b3b s VAL 450 Ca 0.03 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.33 3b3b s VAL 450 Cb -0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3b3b s VAL 450 CO 0.01 0.48 -0.25 -0.54 0.00 0.00 0.00 175.10 174.80 3b3b s LYS 451 N 0.69 1.65 0.18 2.72 1.02 -0.36 -4.53 119.74 121.10 3b3b s LYS 451 Ca -0.12 -1.21 0.03 0.00 0.02 0.00 0.00 55.97 54.69 3b3b s LYS 451 Cb -0.16 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 3b3b s LYS 451 CO 0.03 0.49 -0.04 0.16 -0.92 0.00 0.00 175.35 175.07 3b3b s ASP 452 N -1.69 1.59 -0.12 2.83 -4.77 -1.26 -0.48 116.67 112.76 3b3b s ASP 452 Ca 0.14 -1.12 -0.09 0.00 -3.30 0.00 0.00 52.55 48.17 3b3b s ASP 452 Cb -0.10 0.04 0.04 0.00 -1.09 0.00 0.00 42.92 41.81 3b3b s ASP 452 CO 0.05 -0.47 0.30 -0.62 0.70 0.00 0.00 175.17 175.14 3b3b s ASP 453 N -3.20 -0.34 -0.16 2.11 2.15 -0.17 -4.99 116.67 112.07 3b3b s ASP 453 Ca 0.22 0.63 -0.02 0.00 0.43 0.00 0.00 52.55 53.81 3b3b s ASP 453 Cb 0.05 0.58 -0.02 0.00 -0.30 0.00 0.00 42.92 43.23 3b3b s ASP 453 CO 0.04 -0.14 -0.07 -0.47 -0.17 0.00 0.00 175.17 174.36 3b3b s TYR 454 N 0.68 2.93 -0.41 -5.34 5.04 -1.26 -0.74 117.35 118.25 3b3b s TYR 454 Ca -0.04 -0.59 -0.07 0.00 -2.44 0.00 0.00 57.07 53.94 3b3b s TYR 454 Cb -0.06 -1.95 0.09 0.00 0.35 0.00 0.00 41.96 40.39 3b3b s TYR 454 CO -0.04 -0.23 0.23 1.21 -1.34 0.00 0.00 175.55 175.37 3b3b s ASN 455 N 0.64 5.46 0.42 4.32 3.84 -0.09 -4.96 114.94 124.57 3b3b s ASN 455 Ca -0.04 -1.69 0.18 0.00 0.21 0.00 0.00 52.86 51.52 3b3b s ASN 455 Cb -0.15 -1.92 0.92 0.00 -0.55 0.00 0.00 41.25 39.56 3b3b s ASN 455 CO 0.03 -0.53 1.88 1.55 -2.79 0.00 0.00 177.10 177.23 3b3b h PRO 456 N 8.27 0.00 -0.85 0.43 0.13 -1.97 0.45 132.00 138.46 3b3b h PRO 456 Ca -0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 3b3b h PRO 456 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 3b3b h PRO 456 CO 0.73 0.29 0.48 0.93 -0.23 0.00 0.00 178.00 180.21 3b3b h GLU 457 N 0.00 1.18 -0.01 0.86 5.08 -1.97 -3.25 114.58 116.47 3b3b h GLU 457 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3b3b h GLU 457 Cb 0.61 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3b3b h GLU 457 CO 0.04 0.85 -0.21 0.25 -1.00 0.00 0.00 179.01 178.95 3b3b n THR 458 N -4.39 0.00 -3.91 1.13 -2.24 -1.09 -4.98 114.28 98.80 3b3b n THR 458 Ca 0.09 -0.40 -0.27 0.00 -2.27 0.00 0.00 64.05 61.20 3b3b n THR 458 Cb 0.08 1.20 0.01 0.00 -2.10 0.00 0.00 70.33 69.52 3b3b n THR 458 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3b3b n GLU 459 N 0.08 -4.46 -4.69 -0.78 1.02 0.13 -4.65 120.64 107.30 3b3b n GLU 459 Ca 0.06 0.52 -0.32 0.00 -0.02 0.00 0.00 57.16 57.41 3b3b n GLU 459 Cb 0.31 -5.10 -0.12 0.00 -0.02 0.00 0.00 31.44 26.50 3b3b n GLU 459 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3b3b s GLN 460 N -6.46 2.28 -0.13 3.49 -0.21 -1.09 -1.33 119.66 116.22 3b3b s GLN 460 Ca 0.32 -0.85 0.02 0.00 0.02 0.00 0.00 55.36 54.86 3b3b s GLN 460 Cb -0.16 -2.30 -0.00 0.00 1.00 0.00 0.00 33.01 31.55 3b3b s GLN 460 CO 0.85 0.57 -0.19 -0.47 -2.12 0.00 0.00 175.29 173.94 3b3b s TYR 461 N -0.89 2.70 -0.16 0.91 5.04 -0.13 -0.91 117.35 123.92 3b3b s TYR 461 Ca 0.14 -0.99 0.00 0.00 -2.44 0.00 0.00 57.07 53.78 3b3b s TYR 461 Cb -0.11 -1.81 -0.00 0.00 0.35 0.00 0.00 41.96 40.39 3b3b s TYR 461 CO 0.05 -0.41 -0.16 0.99 -1.34 0.00 0.00 175.55 174.67 3b3b s THR 462 N 0.55 2.62 -0.20 4.34 2.01 0.08 -0.91 115.64 124.13 3b3b s THR 462 Ca -0.11 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 3b3b s THR 462 Cb -0.16 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 3b3b s THR 462 CO 0.04 0.52 0.03 -0.76 -0.69 0.00 0.00 174.62 173.76 3b3b s LEU 463 N 0.85 3.46 -0.30 4.42 1.43 -0.01 -1.00 118.68 127.53 3b3b s LEU 463 Ca -0.05 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 3b3b s LEU 463 Cb -0.15 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3b3b s LEU 463 CO -0.01 0.08 0.10 -0.89 0.23 0.00 0.00 176.35 175.86 3b3b s THR 464 N 0.89 4.09 -0.11 5.49 2.01 0.36 -0.10 115.64 128.28 3b3b s THR 464 Ca 0.02 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3b3b s THR 464 Cb -0.14 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 3b3b s THR 464 CO 0.02 0.07 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.19 3b3b s ILE 465 N 1.52 2.40 0.17 1.82 1.01 0.18 -1.23 121.20 127.08 3b3b s ILE 465 Ca 0.03 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 59.88 3b3b s ILE 465 Cb -0.17 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3b3b s ILE 465 CO 0.03 0.55 -0.22 -0.44 0.00 0.00 0.00 174.94 174.87 3b3b s SER 466 N 0.29 3.07 0.03 3.58 0.01 0.15 -1.31 113.70 119.52 3b3b s SER 466 Ca -0.15 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.27 3b3b s SER 466 Cb -0.17 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 3b3b s SER 466 CO 0.07 0.06 -0.05 0.00 0.41 0.00 0.00 173.24 173.73 3b3b s GLN 467 N -2.65 0.38 -0.16 12.44 -2.07 -0.25 -0.88 119.66 126.47 3b3b s GLN 467 Ca 0.18 -0.65 -0.16 0.00 -1.82 0.00 0.00 55.36 52.91 3b3b s GLN 467 Cb -0.07 -0.04 0.04 0.00 -1.09 0.00 0.00 33.01 31.85 3b3b s GLN 467 CO 0.08 -0.01 0.45 -0.98 -1.32 0.00 0.00 175.29 173.51 3b3b s ARG 468 N -1.47 0.54 -0.20 9.60 1.70 -0.77 -4.72 118.95 123.63 3b3b s ARG 468 Ca -0.14 0.59 -0.03 0.00 -0.47 0.00 0.00 55.73 55.69 3b3b s ARG 468 Cb -0.10 0.26 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 3b3b s ARG 468 CO -0.00 -0.07 -0.08 0.99 -1.08 0.00 0.00 175.30 175.06 3b3b s THR 469 N 0.17 3.15 0.50 4.99 2.01 -1.26 -0.19 115.64 125.01 3b3b s THR 469 Ca -0.01 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.19 3b3b s THR 469 Cb -0.03 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.01 3b3b s THR 469 CO 0.01 0.46 1.33 -2.84 -0.69 0.00 0.00 174.62 172.88 3b3b s PRO 470 N 1.23 3.42 0.52 4.92 0.02 -1.26 -4.83 135.00 139.02 3b3b s PRO 470 Ca 0.03 2.17 -0.20 0.00 0.02 0.00 0.00 61.00 63.02 3b3b s PRO 470 Cb -0.14 -2.39 -0.10 0.00 0.02 0.00 0.00 34.50 31.89 3b3b s PRO 470 CO -0.03 -0.95 0.57 0.00 -0.33 0.00 0.00 177.00 176.27 3b3b n ALA 471 N -0.69 -1.11 -2.48 -1.55 0.00 -1.26 -4.85 120.51 108.57 3b3b n ALA 471 Ca 0.08 0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 3b3b n ALA 471 Cb 0.45 -1.84 -0.10 0.00 0.00 0.00 0.00 19.45 17.96 3b3b n ALA 471 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3b3b s THR 472 N -1.62 2.04 0.55 0.00 -4.23 -1.07 -5.03 115.64 106.27 3b3b s THR 472 Ca 0.67 -2.21 0.24 0.00 -1.18 0.00 0.00 61.69 59.21 3b3b s THR 472 Cb -0.50 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 71.18 3b3b s THR 472 CO 0.55 -0.30 2.19 -0.65 -0.54 0.00 0.00 174.62 175.88 3b3b h PRO 473 N 2.19 0.00 0.00 3.99 0.11 -1.91 -2.20 132.00 134.19 3b3b h PRO 473 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3b3b h PRO 473 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3b3b h PRO 473 CO 0.67 0.02 -0.40 0.38 -0.21 0.00 0.00 178.00 178.46 3b3b h ASP 474 N 0.00 0.00 -2.55 -2.05 2.03 -1.88 -3.45 116.42 108.52 3b3b h ASP 474 Ca -0.00 -0.07 -0.33 0.00 -0.73 0.00 0.00 57.03 55.90 3b3b h ASP 474 Cb 0.04 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 38.18 3b3b h ASP 474 CO 0.00 0.04 -0.64 -1.10 -1.03 0.00 0.00 179.24 176.51 3b3b s GLN 475 N -3.20 0.19 0.40 4.15 -0.21 -0.83 -5.00 119.66 115.16 3b3b s GLN 475 Ca 0.06 0.16 0.22 0.00 0.02 0.00 0.00 55.36 55.83 3b3b s GLN 475 Cb 0.11 -1.24 0.62 0.00 1.00 0.00 0.00 33.01 33.49 3b3b s GLN 475 CO 0.69 -0.67 1.69 0.00 -2.12 0.00 0.00 175.29 174.88 3b3b h ALA 476 N 8.32 0.92 -3.27 6.09 0.00 -1.88 -2.85 119.26 126.59 3b3b h ALA 476 Ca -0.17 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 53.89 3b3b h ALA 476 Cb 1.15 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 3b3b h ALA 476 CO 0.29 0.31 -0.59 -2.00 0.00 0.00 0.00 179.25 177.25 3b3b s GLU 477 N -3.38 3.80 0.03 0.00 2.12 -1.26 -4.87 118.70 115.14 3b3b s GLU 477 Ca 0.03 -0.39 0.04 0.00 0.36 0.00 0.00 54.97 55.01 3b3b s GLU 477 Cb 0.08 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 3b3b s GLU 477 CO 0.67 0.32 -0.13 0.15 -0.54 0.00 0.00 175.26 175.73 3b3b s LYS 478 N 0.20 0.86 0.16 4.30 -0.14 -1.26 -5.02 119.74 118.85 3b3b s LYS 478 Ca 0.02 -0.70 0.04 0.00 -1.36 0.00 0.00 55.97 53.98 3b3b s LYS 478 Cb -0.13 -0.84 -0.05 0.00 -1.68 0.00 0.00 37.83 35.14 3b3b s LYS 478 CO 0.01 0.21 -0.07 -0.65 -0.76 0.00 0.00 175.35 174.08 3b3b s GLN 479 N -1.06 1.10 0.47 1.68 -0.21 -1.26 -5.00 119.66 115.38 3b3b s GLN 479 Ca 0.01 -1.49 -0.24 0.00 0.02 0.00 0.00 55.36 53.65 3b3b s GLN 479 Cb -0.07 -0.57 -0.07 0.00 1.00 0.00 0.00 33.01 33.29 3b3b s GLN 479 CO 0.01 0.02 1.41 -2.14 -2.12 0.00 0.00 175.29 172.47 3b3b s PRO 480 N -3.79 3.56 0.35 2.91 0.02 -1.26 -4.83 135.00 131.96 3b3b s PRO 480 Ca 0.19 2.36 0.07 0.00 0.02 0.00 0.00 61.00 63.65 3b3b s PRO 480 Cb 0.04 -2.56 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 3b3b s PRO 480 CO 0.02 -0.90 0.34 -0.51 -0.33 0.00 0.00 177.00 175.62 3b3b s LEU 481 N -2.91 3.63 -0.67 -5.54 1.43 -1.26 -5.00 118.68 108.35 3b3b s LEU 481 Ca 0.63 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 53.01 3b3b s LEU 481 Cb -0.43 -2.29 0.06 0.00 0.03 0.00 0.00 46.19 43.56 3b3b s LEU 481 CO 0.54 -0.42 1.05 -2.28 0.23 0.00 0.00 176.35 175.47 3b3b s HIS 482 N -2.31 2.57 -0.35 0.29 5.65 -1.26 -4.18 115.29 115.71 3b3b s HIS 482 Ca 0.43 -0.36 -0.10 0.00 0.25 0.00 0.00 55.06 55.29 3b3b s HIS 482 Cb -0.06 -4.37 0.02 0.00 -1.18 0.00 0.00 32.58 26.99 3b3b s HIS 482 CO 0.28 -1.75 0.17 0.42 -0.65 0.00 0.00 174.74 173.21 3b3b s ILE 483 N 4.53 4.40 -0.26 0.89 1.01 0.24 -4.88 121.20 127.14 3b3b s ILE 483 Ca 0.27 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 3b3b s ILE 483 Cb -0.14 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 3b3b s ILE 483 CO 0.12 -0.12 1.34 -2.84 0.00 0.00 0.00 174.94 173.44 3b3b s PRO 484 N 1.54 3.96 -0.42 2.79 0.02 -1.26 -1.21 135.00 140.42 3b3b s PRO 484 Ca 0.02 1.38 0.04 0.00 0.02 0.00 0.00 61.00 62.46 3b3b s PRO 484 Cb -0.18 -3.88 0.11 0.00 0.02 0.00 0.00 34.50 30.57 3b3b s PRO 484 CO 0.06 -1.06 0.14 0.12 -0.33 0.00 0.00 177.00 175.93 3b3b s PHE 485 N 4.31 3.48 0.06 6.54 5.36 0.29 -3.80 117.98 134.22 3b3b s PHE 485 Ca 0.58 -3.07 -0.29 0.00 -0.96 0.00 0.00 56.93 53.19 3b3b s PHE 485 Cb -0.19 -2.86 -0.05 0.00 -0.34 0.00 0.00 43.02 39.58 3b3b s PHE 485 CO 0.22 -0.86 0.91 0.00 -1.46 0.00 0.00 175.22 174.04 3b3b s ALA 486 N 0.37 3.26 0.18 11.12 0.00 -1.26 -0.84 121.76 134.60 3b3b s ALA 486 Ca 0.14 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.62 3b3b s ALA 486 Cb -0.22 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3b3b s ALA 486 CO -0.05 -0.06 -0.07 0.96 0.00 0.00 0.00 175.76 176.55 3b3b s ILE 487 N 0.28 1.16 -0.07 0.00 -4.36 -0.08 -0.93 121.20 117.20 3b3b s ILE 487 Ca 0.46 -2.06 -0.06 0.00 -0.26 0.00 0.00 60.65 58.72 3b3b s ILE 487 Cb -0.22 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.46 3b3b s ILE 487 CO 0.27 -0.57 0.19 -1.61 0.24 0.00 0.00 174.94 173.46 3b3b s GLU 488 N -3.78 0.22 -0.11 0.37 2.02 -0.28 -4.82 118.70 112.31 3b3b s GLU 488 Ca 0.22 0.30 0.01 0.00 0.02 0.00 0.00 54.97 55.51 3b3b s GLU 488 Cb 0.04 0.07 -0.02 0.00 0.10 0.00 0.00 34.13 34.32 3b3b s GLU 488 CO 0.04 -0.05 -0.13 -0.51 0.02 0.00 0.00 175.26 174.63 3b3b s LEU 489 N 0.27 2.72 -0.07 1.80 1.43 -1.26 0.17 118.68 123.74 3b3b s LEU 489 Ca -0.01 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3b3b s LEU 489 Cb -0.03 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3b3b s LEU 489 CO -0.01 0.21 -0.17 -0.31 0.23 0.00 0.00 176.35 176.30 3b3b s TYR 490 N 0.06 2.65 0.45 0.29 2.02 -0.57 -0.10 117.35 122.14 3b3b s TYR 490 Ca -0.05 -0.44 -0.07 0.00 -0.37 0.00 0.00 57.07 56.14 3b3b s TYR 490 Cb -0.15 -1.67 0.10 0.00 -0.40 0.00 0.00 41.96 39.84 3b3b s TYR 490 CO 0.04 -0.03 0.61 -0.40 -1.57 0.00 0.00 175.55 174.20 3b3b n ASP 491 N 2.79 0.15 0.21 2.29 5.68 0.09 -1.42 116.55 126.35 3b3b n ASP 491 Ca -0.17 -1.28 0.15 0.00 -0.50 0.00 0.00 54.79 52.99 3b3b n ASP 491 Cb 0.52 -0.46 0.69 0.00 -1.14 0.00 0.00 41.12 40.73 3b3b n ASP 491 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3b3b h ASN 492 N -0.74 0.00 0.02 -1.12 -1.07 -1.89 -1.62 115.58 109.15 3b3b h ASN 492 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.17 3b3b h ASN 492 Cb 0.57 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.82 3b3b h ASN 492 CO 0.15 0.00 -0.09 -0.62 0.07 0.00 0.00 177.43 176.94 3b3b n GLU 493 N -2.64 1.72 -1.00 4.14 -0.58 -1.26 -4.94 120.64 116.08 3b3b n GLU 493 Ca 0.00 -1.22 0.00 0.00 -0.42 0.00 0.00 57.16 55.52 3b3b n GLU 493 Cb 0.19 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 3b3b n GLU 493 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3b3b n GLY 494 N 1.28 0.40 3.87 0.62 0.00 -0.61 -5.05 105.19 105.70 3b3b n GLY 494 Ca 0.15 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 3b3b n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b3b s LYS 495 N -1.76 3.79 0.01 1.61 1.02 -1.26 -4.83 119.74 118.32 3b3b s LYS 495 Ca 0.00 0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.90 3b3b s LYS 495 Cb 0.00 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 3b3b s LYS 495 CO 0.00 0.50 1.23 0.08 -0.92 0.00 0.00 175.35 176.24 3b3b s VAL 496 N -1.50 4.05 -0.22 3.17 1.01 -1.26 -0.73 120.40 124.92 3b3b s VAL 496 Ca 0.37 1.44 -0.25 0.00 0.00 0.00 0.00 61.98 63.54 3b3b s VAL 496 Cb -0.13 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3b3b s VAL 496 CO 0.20 0.06 0.85 -0.63 0.00 0.00 0.00 175.10 175.57 3b3b s ILE 497 N 1.64 4.84 0.18 2.22 1.01 0.85 -4.90 121.20 127.03 3b3b s ILE 497 Ca 0.59 1.62 -0.33 0.00 0.00 0.00 0.00 60.65 62.52 3b3b s ILE 497 Cb -0.28 -4.14 -0.14 0.00 0.01 0.00 0.00 42.46 37.92 3b3b s ILE 497 CO 0.26 -0.06 1.58 -2.65 0.00 0.00 0.00 174.94 174.07 3b3b n PRO 498 N 5.84 2.21 -3.00 2.79 -0.02 -1.26 -4.55 135.00 137.02 3b3b n PRO 498 Ca 0.06 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 3b3b n PRO 498 Cb 0.48 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 3b3b n PRO 498 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3b3b s LEU 499 N 0.82 4.26 0.16 2.45 1.43 -1.26 -4.91 118.68 121.64 3b3b s LEU 499 Ca 0.77 1.16 -0.21 0.00 -1.03 0.00 0.00 54.13 54.82 3b3b s LEU 499 Cb -0.65 -3.12 0.06 0.00 0.03 0.00 0.00 46.19 42.50 3b3b s LEU 499 CO 0.39 -0.22 0.56 0.00 0.23 0.00 0.00 176.35 177.30 3b3b s GLN 500 N 1.34 1.28 -0.18 1.70 -2.07 -1.26 -1.53 119.66 118.94 3b3b s GLN 500 Ca 0.37 -0.58 -0.13 0.00 -1.82 0.00 0.00 55.36 53.20 3b3b s GLN 500 Cb -0.17 0.56 0.06 0.00 -1.09 0.00 0.00 33.01 32.37 3b3b s GLN 500 CO 0.16 -0.55 0.46 0.21 -1.32 0.00 0.00 175.29 174.24 3b3b s LYS 501 N -3.78 0.48 -1.46 9.60 2.20 0.28 -1.00 119.74 126.06 3b3b s LYS 501 Ca 0.03 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 3b3b s LYS 501 Cb -0.01 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 3b3b s LYS 501 CO -0.11 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 3b3b n GLY 502 N 3.72 -0.49 1.44 5.54 0.00 -1.26 -1.56 105.19 112.57 3b3b n GLY 502 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3b3b n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b3b n GLY 503 N -0.92 0.66 3.22 -0.02 0.00 -1.26 -5.06 105.19 101.81 3b3b n GLY 503 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 3b3b n GLY 503 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b3b s HIS 504 N -2.08 1.79 0.63 1.61 3.76 -0.60 -5.13 115.29 115.27 3b3b s HIS 504 Ca 0.00 -0.35 -0.18 0.00 -0.15 0.00 0.00 55.06 54.38 3b3b s HIS 504 Cb 0.00 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 3b3b s HIS 504 CO 0.00 0.01 1.27 -2.14 -0.85 0.00 0.00 174.74 173.03 3b3b s PRO 505 N -0.70 2.68 -0.04 8.40 0.02 -1.26 -0.55 135.00 143.54 3b3b s PRO 505 Ca 0.08 2.00 0.07 0.00 0.02 0.00 0.00 61.00 63.16 3b3b s PRO 505 Cb -0.08 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 3b3b s PRO 505 CO 0.00 -1.48 -0.25 0.08 -0.33 0.00 0.00 177.00 175.02 3b3b s VAL 506 N -1.45 2.02 0.29 3.83 1.01 -0.58 -4.76 120.40 120.76 3b3b s VAL 506 Ca 0.81 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 3b3b s VAL 506 Cb -0.35 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.22 3b3b s VAL 506 CO 0.38 0.57 1.44 0.21 0.00 0.00 0.00 175.10 177.69 3b3b s ASN 507 N -0.34 6.60 0.26 3.32 3.84 -1.26 -4.71 114.94 122.65 3b3b s ASN 507 Ca 0.02 2.76 0.25 0.00 0.21 0.00 0.00 52.86 56.09 3b3b s ASN 507 Cb -0.12 -2.64 0.94 0.00 -0.55 0.00 0.00 41.25 38.88 3b3b s ASN 507 CO 0.02 -0.71 1.74 -1.54 -2.79 0.00 0.00 177.10 173.82 3b3b n SER 508 N 1.74 0.76 -4.46 -4.21 3.41 -1.26 -4.32 113.62 105.29 3b3b n SER 508 Ca 0.05 0.65 -0.43 0.00 -0.26 0.00 0.00 58.87 58.87 3b3b n SER 508 Cb 0.40 -0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 3b3b n SER 508 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3b3b s VAL 509 N -3.26 4.41 0.23 -3.33 1.01 -1.26 -0.90 120.40 117.30 3b3b s VAL 509 Ca 0.06 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3b3b s VAL 509 Cb 0.10 -4.62 -0.09 0.00 0.00 0.00 0.00 36.38 31.77 3b3b s VAL 509 CO 0.47 -1.34 1.02 -0.76 0.00 0.00 0.00 175.10 174.49 3b3b s LEU 510 N 3.83 4.57 -0.82 3.92 1.43 -0.02 -4.78 118.68 126.82 3b3b s LEU 510 Ca 0.22 2.06 -0.20 0.00 -1.03 0.00 0.00 54.13 55.19 3b3b s LEU 510 Cb -0.17 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.55 3b3b s LEU 510 CO 0.11 -0.03 1.04 0.20 0.23 0.00 0.00 176.35 177.90 3b3b s ASN 511 N -0.77 6.47 -0.71 2.29 0.01 -1.26 -0.55 114.94 120.42 3b3b s ASN 511 Ca 0.44 -1.72 -0.21 0.00 -0.71 0.00 0.00 52.86 50.66 3b3b s ASN 511 Cb -0.28 -2.39 0.08 0.00 0.41 0.00 0.00 41.25 39.07 3b3b s ASN 511 CO 0.35 -1.16 0.97 -0.69 -1.51 0.00 0.00 177.10 175.07 3b3b s VAL 512 N 3.01 4.44 -0.21 1.60 1.01 -0.35 -4.80 120.40 125.10 3b3b s VAL 512 Ca 0.28 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3b3b s VAL 512 Cb -0.10 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 3b3b s VAL 512 CO -0.03 -1.44 0.19 0.35 0.00 0.00 0.00 175.10 174.17 3b3b n THR 513 N 5.82 0.00 -3.97 3.92 -2.24 -1.26 -0.59 114.28 115.96 3b3b n THR 513 Ca 0.01 -0.40 -0.22 0.00 -2.27 0.00 0.00 64.05 61.17 3b3b n THR 513 Cb 0.46 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 3b3b n THR 513 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3b3b s GLN 514 N -1.38 2.50 0.31 -0.78 -1.52 -1.26 -4.60 119.66 112.93 3b3b s GLN 514 Ca 0.02 -1.47 0.01 0.00 -1.95 0.00 0.00 55.36 51.97 3b3b s GLN 514 Cb 0.03 -2.29 0.51 0.00 -0.22 0.00 0.00 33.01 31.05 3b3b s GLN 514 CO 0.17 0.08 1.88 0.00 -0.25 0.00 0.00 175.29 177.17 3b3b h ALA 515 N 1.41 1.33 -2.91 6.09 0.00 -1.92 -3.39 119.26 119.86 3b3b h ALA 515 Ca -0.44 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 3b3b h ALA 515 Cb 1.25 -0.20 -0.24 0.00 0.00 0.00 0.00 17.79 18.60 3b3b h ALA 515 CO 0.61 0.48 -0.33 -2.00 0.00 0.00 0.00 179.25 178.01 3b3b s GLU 516 N -5.24 0.41 0.08 0.00 2.12 -1.26 -1.10 118.70 113.71 3b3b s GLU 516 Ca -0.09 0.38 -0.24 0.00 0.36 0.00 0.00 54.97 55.38 3b3b s GLU 516 Cb 0.16 0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.80 3b3b s GLU 516 CO 0.78 -0.06 0.57 1.14 -0.54 0.00 0.00 175.26 177.16 3b3b s GLN 517 N 0.01 1.14 -0.05 4.30 0.00 -0.43 -5.01 119.66 119.61 3b3b s GLN 517 Ca -0.01 -0.27 0.04 0.00 -0.00 0.00 0.00 55.36 55.12 3b3b s GLN 517 Cb -0.03 0.52 -0.02 0.00 0.00 0.00 0.00 33.01 33.49 3b3b s GLN 517 CO 0.01 -0.44 -0.18 0.99 0.00 0.00 0.00 175.29 175.67 3b3b s THR 518 N -2.82 2.74 -0.12 3.63 2.01 -1.26 -0.65 115.64 119.17 3b3b s THR 518 Ca -0.03 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.16 3b3b s THR 518 Cb -0.00 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.46 3b3b s THR 518 CO -0.05 0.58 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.90 3b3b s PHE 519 N -0.50 2.38 -0.11 4.92 0.08 0.86 -4.99 117.98 120.62 3b3b s PHE 519 Ca 0.06 -1.13 0.01 0.00 0.12 0.00 0.00 56.93 55.99 3b3b s PHE 519 Cb -0.12 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 3b3b s PHE 519 CO 0.01 -0.52 -0.12 0.08 -0.10 0.00 0.00 175.22 174.57 3b3b s VAL 520 N 0.76 3.17 -0.03 -0.44 1.01 -1.26 -0.83 120.40 122.79 3b3b s VAL 520 Ca -0.10 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.32 3b3b s VAL 520 Cb -0.16 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3b3b s VAL 520 CO 0.01 0.54 -0.24 -0.36 0.00 0.00 0.00 175.10 175.05 3b3b s PHE 521 N 0.01 2.20 0.52 5.22 0.08 -0.09 -4.77 117.98 121.15 3b3b s PHE 521 Ca -0.03 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.57 3b3b s PHE 521 Cb -0.14 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.89 3b3b s PHE 521 CO 0.04 -0.08 0.20 0.16 -0.10 0.00 0.00 175.22 175.43 3b3b s ASP 522 N -0.44 4.38 -1.44 1.36 3.84 -0.17 -0.95 116.67 123.24 3b3b s ASP 522 Ca 0.06 -1.45 -0.10 0.00 -0.00 0.00 0.00 52.55 51.06 3b3b s ASP 522 Cb -0.10 0.45 0.06 0.00 -1.38 0.00 0.00 42.92 41.95 3b3b s ASP 522 CO 0.00 -0.96 0.71 0.59 -0.00 0.00 0.00 175.17 175.51 3b3b n ASN 523 N -1.50 -4.70 -4.39 2.11 3.02 -0.96 -4.46 115.26 104.37 3b3b n ASN 523 Ca -0.10 -0.52 -0.45 0.00 -0.03 0.00 0.00 54.58 53.48 3b3b n ASN 523 Cb 0.66 -3.80 -0.04 0.00 -0.61 0.00 0.00 39.78 35.99 3b3b n ASN 523 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3b3b s VAL 524 N -3.13 4.83 -0.79 2.41 1.01 -0.44 -4.89 120.40 119.40 3b3b s VAL 524 Ca 0.48 -1.20 0.26 0.00 0.00 0.00 0.00 61.98 61.53 3b3b s VAL 524 Cb -0.24 -4.57 0.27 0.00 0.00 0.00 0.00 36.38 31.83 3b3b s VAL 524 CO 0.60 -1.24 1.80 0.00 0.00 0.00 0.00 175.10 176.26 3b3b n TYR 525 N 6.29 0.68 -3.89 5.22 0.18 -1.26 -4.50 117.16 119.87 3b3b n TYR 525 Ca 0.01 0.20 -0.11 0.00 1.88 0.00 0.00 57.90 59.88 3b3b n TYR 525 Cb 0.45 -0.83 -0.11 0.00 -0.38 0.00 0.00 39.34 38.47 3b3b n TYR 525 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 3b3b s PHE 526 N -3.09 0.05 -0.17 -3.48 5.36 -1.26 -5.11 117.98 110.29 3b3b s PHE 526 Ca 0.11 -0.11 -0.33 0.00 -0.96 0.00 0.00 56.93 55.64 3b3b s PHE 526 Cb 0.14 -0.06 -0.10 0.00 -0.34 0.00 0.00 43.02 42.65 3b3b s PHE 526 CO 0.56 -0.19 2.01 0.94 -1.46 0.00 0.00 175.22 177.08 3b3b n GLN 527 N 1.97 1.91 -2.45 10.12 7.27 -1.26 -4.91 117.38 130.03 3b3b n GLN 527 Ca -0.20 0.65 -0.31 0.00 0.07 0.00 0.00 57.00 57.20 3b3b n GLN 527 Cb 0.57 -2.71 -0.03 0.00 2.41 0.00 0.00 30.24 30.48 3b3b n GLN 527 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3b3b s PRO 528 N 4.95 3.87 -0.32 3.69 0.04 -1.26 -4.74 135.00 141.23 3b3b s PRO 528 Ca 0.98 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 62.69 3b3b s PRO 528 Cb -0.66 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 3b3b s PRO 528 CO 0.48 -0.25 0.28 0.08 0.04 0.00 0.00 177.00 177.63 3b3b s VAL 529 N -2.63 5.25 0.22 -0.36 1.01 -0.51 -4.90 120.40 118.47 3b3b s VAL 529 Ca 0.57 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 3b3b s VAL 529 Cb -0.10 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 3b3b s VAL 529 CO 0.34 0.05 0.71 -2.16 0.00 0.00 0.00 175.10 174.04 3b3b s PRO 530 N 1.86 4.24 -0.25 2.72 0.04 -1.26 -1.52 135.00 140.83 3b3b s PRO 530 Ca 0.09 0.85 -0.10 0.00 0.04 0.00 0.00 61.00 61.88 3b3b s PRO 530 Cb -0.17 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 3b3b s PRO 530 CO 0.11 0.40 0.14 0.00 0.04 0.00 0.00 177.00 177.69 3b3b s ALA 531 N -1.51 3.45 0.04 8.56 0.00 0.13 -4.98 121.76 127.44 3b3b s ALA 531 Ca 0.42 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.45 3b3b s ALA 531 Cb -0.17 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 3b3b s ALA 531 CO 0.21 -0.34 -0.15 -0.51 0.00 0.00 0.00 175.76 174.97 3b3b s LEU 532 N 1.34 2.74 -1.29 0.00 1.43 -1.26 -1.13 118.68 120.50 3b3b s LEU 532 Ca 0.06 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3b3b s LEU 532 Cb -0.15 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 3b3b s LEU 532 CO 0.06 0.26 0.69 -0.11 0.23 0.00 0.00 176.35 177.48 3b3b n LEU 533 N 1.52 -3.12 -4.74 1.79 7.94 -0.10 -4.88 117.00 115.41 3b3b n LEU 533 Ca -0.16 -0.85 -0.41 0.00 -1.11 0.00 0.00 56.01 53.49 3b3b n LEU 533 Cb 0.52 -2.63 0.01 0.00 0.53 0.00 0.00 43.42 41.86 3b3b n LEU 533 CO 0.28 0.40 1.01 0.00 -1.11 0.00 0.00 177.39 177.97 3b3b n GLU 535 N 0.04 -1.47 -3.58 0.00 -0.58 -1.26 -1.91 120.64 111.89 3b3b n GLU 535 Ca 0.05 1.21 -0.26 0.00 -0.42 0.00 0.00 57.16 57.73 3b3b n GLU 535 Cb 0.40 -5.60 0.04 0.00 -0.57 0.00 0.00 31.44 25.72 3b3b n GLU 535 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3b3b n PHE 536 N -2.36 -2.08 0.34 -0.32 7.35 -0.54 -4.84 117.46 115.01 3b3b n PHE 536 Ca -0.20 0.58 0.11 0.00 -0.76 0.00 0.00 57.45 57.18 3b3b n PHE 536 Cb 0.68 -3.55 0.50 0.00 0.35 0.00 0.00 39.48 37.46 3b3b n PHE 536 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3b3b n SER 537 N -2.69 0.63 -3.78 -2.13 3.41 -0.80 -4.61 113.62 103.64 3b3b n SER 537 Ca -0.09 0.68 -0.13 0.00 -0.26 0.00 0.00 58.87 59.07 3b3b n SER 537 Cb 0.59 -0.80 -0.09 0.00 -0.26 0.00 0.00 64.21 63.65 3b3b n SER 537 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b3b s ALA 538 N -3.36 -0.70 -1.33 7.33 0.00 -1.25 -4.64 121.76 117.80 3b3b s ALA 538 Ca 0.03 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 3b3b s ALA 538 Cb 0.08 -0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.21 3b3b s ALA 538 CO 0.34 -0.23 1.87 -0.35 0.00 0.00 0.00 175.76 177.40 3b3b n PRO 539 N 1.68 3.06 -4.14 0.00 -0.04 -1.26 -4.90 135.00 129.40 3b3b n PRO 539 Ca -0.20 -3.08 -0.09 0.00 -0.04 0.00 0.00 63.50 60.09 3b3b n PRO 539 Cb 0.56 -3.45 -0.10 0.00 -0.04 0.00 0.00 33.50 30.48 3b3b n PRO 539 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3b3b s VAL 540 N 4.11 0.51 -0.03 0.52 -7.23 -1.26 -4.39 120.40 112.63 3b3b s VAL 540 Ca 0.53 -1.89 -0.22 0.00 -1.81 0.00 0.00 61.98 58.59 3b3b s VAL 540 Cb 0.07 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 3b3b s VAL 540 CO 0.04 -0.89 0.63 -0.54 -0.31 0.00 0.00 175.10 174.03 3b3b s LYS 541 N -3.87 4.37 -0.18 4.82 1.02 -0.27 -4.97 119.74 120.66 3b3b s LYS 541 Ca 0.11 0.79 -0.08 0.00 0.02 0.00 0.00 55.97 56.81 3b3b s LYS 541 Cb 0.06 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 3b3b s LYS 541 CO -0.06 0.25 0.07 -1.17 -0.92 0.00 0.00 175.35 173.52 3b3b s LEU 542 N 0.17 3.85 -0.31 3.17 2.96 -1.26 -0.45 118.68 126.82 3b3b s LEU 542 Ca 0.33 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 3b3b s LEU 542 Cb -0.18 -1.98 0.06 0.00 0.50 0.00 0.00 46.19 44.59 3b3b s LEU 542 CO 0.17 0.17 0.02 -1.61 -1.32 0.00 0.00 176.35 173.79 3b3b s GLU 543 N 0.37 2.35 -0.07 1.98 2.02 0.91 -4.95 118.70 121.31 3b3b s GLU 543 Ca 0.04 -1.35 -0.06 0.00 0.02 0.00 0.00 54.97 53.62 3b3b s GLU 543 Cb -0.12 -3.22 0.02 0.00 0.10 0.00 0.00 34.13 30.91 3b3b s GLU 543 CO -0.00 -0.68 0.18 -0.47 0.02 0.00 0.00 175.26 174.31 3b3b s TYR 544 N 1.23 -0.20 -1.32 1.61 5.04 -1.26 -0.99 117.35 121.46 3b3b s TYR 544 Ca -0.03 0.49 -0.14 0.00 -2.44 0.00 0.00 57.07 54.95 3b3b s TYR 544 Cb -0.20 0.06 0.11 0.00 0.35 0.00 0.00 41.96 42.28 3b3b s TYR 544 CO -0.02 -0.10 1.83 1.17 -1.34 0.00 0.00 175.55 177.09 3b3b n LYS 545 N 3.04 3.25 -1.84 4.97 4.81 -1.26 -4.98 118.16 126.14 3b3b n LYS 545 Ca -0.13 -3.29 -0.39 0.00 -0.87 0.00 0.00 58.31 53.63 3b3b n LYS 545 Cb 0.58 -3.21 0.03 0.00 0.02 0.00 0.00 35.03 32.45 3b3b n LYS 545 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 3b3b s TRP 546 N 2.46 2.41 0.36 5.64 0.52 -1.26 -5.05 118.94 124.02 3b3b s TRP 546 Ca 0.46 1.36 -0.01 0.00 0.02 0.00 0.00 56.10 57.92 3b3b s TRP 546 Cb 0.06 -3.80 -0.04 0.00 -1.15 0.00 0.00 33.47 28.55 3b3b s TRP 546 CO 0.00 -2.76 0.59 -1.54 0.02 0.00 0.00 176.95 173.26 3b3b s SER 547 N -0.84 6.31 0.27 2.95 1.04 -1.26 -5.01 113.70 117.16 3b3b s SER 547 Ca 0.67 0.58 -0.03 0.00 0.48 0.00 0.00 55.95 57.65 3b3b s SER 547 Cb -0.40 -2.09 0.38 0.00 0.10 0.00 0.00 66.02 64.01 3b3b s SER 547 CO 0.49 -0.33 1.93 0.44 0.98 0.00 0.00 173.24 176.75 3b3b h ASP 548 N 0.81 1.04 -0.25 7.02 5.19 -2.00 -2.80 116.42 125.43 3b3b h ASP 548 Ca -0.49 -0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 55.78 3b3b h ASP 548 Cb 1.21 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 3b3b h ASP 548 CO 0.62 0.72 -0.28 1.56 -3.12 0.00 0.00 179.24 178.74 3b3b h GLN 549 N 1.21 0.74 -0.45 3.56 4.20 -1.99 -0.62 115.11 121.77 3b3b h GLN 549 Ca 0.37 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.80 3b3b h GLN 549 Cb -0.02 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 3b3b h GLN 549 CO -0.11 0.94 0.21 1.96 -0.67 0.00 0.00 178.83 181.16 3b3b h GLN 550 N 0.64 0.41 -0.34 1.46 4.20 -1.92 -0.45 115.11 119.10 3b3b h GLN 550 Ca 0.08 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3b3b h GLN 550 Cb 0.80 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 3b3b h GLN 550 CO 0.07 0.27 0.10 -0.07 -0.67 0.00 0.00 178.83 178.52 3b3b h LEU 551 N 0.42 0.51 -1.16 1.46 3.38 -1.23 -1.48 115.31 117.21 3b3b h LEU 551 Ca 0.20 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3b3b h LEU 551 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3b3b h LEU 551 CO -0.15 0.59 -0.34 0.71 0.09 0.00 0.00 178.44 179.35 3b3b h THR 552 N 0.40 1.27 -0.22 0.22 1.35 -1.02 -1.20 112.91 113.70 3b3b h THR 552 Ca 0.11 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3b3b h THR 552 Cb 0.27 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3b3b h THR 552 CO -0.00 0.38 0.14 0.15 -0.25 0.00 0.00 175.52 175.93 3b3b h PHE 553 N 0.13 0.26 -0.63 4.73 3.57 -0.90 -2.21 116.94 121.89 3b3b h PHE 553 Ca 0.02 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3b3b h PHE 553 Cb 0.66 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 3b3b h PHE 553 CO 0.01 0.16 0.17 -0.07 -2.23 0.00 0.00 178.31 176.35 3b3b h LEU 554 N 0.28 0.91 -1.69 0.59 3.38 -0.88 0.28 115.31 118.19 3b3b h LEU 554 Ca 0.08 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3b3b h LEU 554 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3b3b h LEU 554 CO -0.03 0.87 0.28 0.24 0.09 0.00 0.00 178.44 179.90 3b3b h MET 555 N 0.93 0.39 0.16 1.13 2.86 -1.00 -0.04 114.93 119.36 3b3b h MET 555 Ca 0.20 -0.02 -0.35 0.00 -2.06 0.00 0.00 59.70 57.47 3b3b h MET 555 Cb 0.31 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3b3b h MET 555 CO -0.00 0.26 -1.81 -0.09 1.06 0.00 0.00 176.91 176.32 3b3b h ARG 556 N 0.40 0.33 0.00 1.72 2.43 -0.77 -3.43 114.38 115.06 3b3b h ARG 556 Ca 0.18 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3b3b h ARG 556 Cb 0.20 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3b3b h ARG 556 CO -0.04 1.24 -1.26 0.72 -1.51 0.00 0.00 179.97 179.12 3b3b n HIS 557 N -3.53 0.00 -1.85 2.20 8.25 0.93 -5.02 115.22 116.20 3b3b n HIS 557 Ca -0.26 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.79 3b3b n HIS 557 Cb 1.06 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.97 3b3b n HIS 557 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b3b s ALA 558 N -2.61 3.66 0.14 -1.41 0.00 -0.05 -4.90 121.76 116.58 3b3b s ALA 558 Ca -0.02 1.51 -0.13 0.00 0.00 0.00 0.00 51.96 53.32 3b3b s ALA 558 Cb 0.08 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3b3b s ALA 558 CO 0.49 -0.94 1.62 0.00 0.00 0.00 0.00 175.76 176.92 3b3b h ARG 559 N 4.20 0.79 -5.98 0.00 3.08 -1.93 -3.43 114.38 111.11 3b3b h ARG 559 Ca -0.48 -0.23 -0.58 0.00 0.07 0.00 0.00 59.98 58.76 3b3b h ARG 559 Cb 1.23 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 3b3b h ARG 559 CO 0.73 0.82 -0.12 1.21 -1.07 0.00 0.00 179.97 181.54 3b3b s ASN 560 N -6.22 6.85 0.42 7.04 3.84 -1.26 -4.97 114.94 120.64 3b3b s ASN 560 Ca -0.13 1.01 0.11 0.00 0.21 0.00 0.00 52.86 54.06 3b3b s ASN 560 Cb 0.11 -2.30 0.96 0.00 -0.55 0.00 0.00 41.25 39.47 3b3b s ASN 560 CO 0.80 0.18 2.02 0.44 -2.79 0.00 0.00 177.10 177.75 3b3b h ASP 561 N 5.45 0.41 -0.80 -4.21 5.19 -1.99 -1.68 116.42 118.78 3b3b h ASP 561 Ca -0.47 -0.00 0.02 0.00 -0.62 0.00 0.00 57.03 55.96 3b3b h ASP 561 Cb 1.20 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.58 3b3b h ASP 561 CO 0.68 0.27 0.52 0.15 -3.12 0.00 0.00 179.24 177.74 3b3b h PHE 562 N 0.47 0.98 -0.55 4.55 3.57 -1.93 -2.40 116.94 121.62 3b3b h PHE 562 Ca 0.22 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 3b3b h PHE 562 Cb 0.26 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3b3b h PHE 562 CO -0.00 0.59 0.23 0.77 -2.23 0.00 0.00 178.31 177.67 3b3b h SER 563 N 1.04 0.72 -0.32 0.41 0.02 -1.69 0.94 113.55 114.66 3b3b h SER 563 Ca 0.31 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3b3b h SER 563 Cb -0.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3b3b h SER 563 CO -0.09 0.64 0.04 0.03 -1.14 0.00 0.00 176.83 176.30 3b3b h ARG 564 N 0.78 0.54 -0.38 3.45 3.08 -1.36 -0.39 114.38 120.10 3b3b h ARG 564 Ca 0.19 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3b3b h ARG 564 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3b3b h ARG 564 CO -0.02 0.65 0.12 2.35 -1.07 0.00 0.00 179.97 182.00 3b3b h TRP 565 N 0.36 0.61 -0.57 3.04 7.01 -1.11 -2.76 115.95 122.54 3b3b h TRP 565 Ca 0.10 -0.06 -0.08 0.00 2.11 0.00 0.00 58.89 60.96 3b3b h TRP 565 Cb 0.38 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3b3b h TRP 565 CO 0.03 0.57 0.05 0.22 -2.79 0.00 0.00 178.44 176.52 3b3b h ASP 566 N 0.47 0.91 -0.75 2.65 3.58 -0.69 -1.31 116.42 121.27 3b3b h ASP 566 Ca 0.12 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 3b3b h ASP 566 Cb 0.25 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 3b3b h ASP 566 CO -0.00 0.93 0.40 0.00 -2.88 0.00 0.00 179.24 177.69 3b3b h ALA 567 N 1.17 0.96 -0.77 -0.78 0.00 -1.01 -1.24 119.26 117.59 3b3b h ALA 567 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3b3b h ALA 567 Cb 0.45 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3b3b h ALA 567 CO 0.02 0.49 0.49 0.00 0.00 0.00 0.00 179.25 180.24 3b3b h ALA 568 N 1.20 1.40 -0.61 0.00 0.00 -1.09 -0.10 119.26 120.07 3b3b h ALA 568 Ca 0.26 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3b3b h ALA 568 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3b3b h ALA 568 CO -0.04 0.53 0.11 1.96 0.00 0.00 0.00 179.25 181.81 3b3b h GLN 569 N 1.06 1.01 -0.41 0.00 1.08 -0.49 -0.89 115.11 116.47 3b3b h GLN 569 Ca 0.28 -0.27 -0.11 0.00 -1.45 0.00 0.00 58.65 57.11 3b3b h GLN 569 Cb -0.08 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 3b3b h GLN 569 CO -0.06 0.94 -0.18 0.77 -0.95 0.00 0.00 178.83 179.36 3b3b h SER 570 N 0.92 0.78 -0.30 1.46 0.02 -0.80 -0.27 113.55 115.35 3b3b h SER 570 Ca 0.19 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3b3b h SER 570 Cb 0.41 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3b3b h SER 570 CO 0.01 0.95 0.11 0.25 -1.14 0.00 0.00 176.83 177.02 3b3b h LEU 571 N 0.69 0.42 -0.76 5.07 5.85 -0.79 -3.04 115.31 122.75 3b3b h LEU 571 Ca 0.10 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 3b3b h LEU 571 Cb 0.67 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3b3b h LEU 571 CO 0.05 0.49 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.46 3b3b h LEU 572 N 0.34 0.82 -0.60 2.25 3.38 -0.96 -3.13 115.31 117.41 3b3b h LEU 572 Ca 0.10 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.93 3b3b h LEU 572 Cb 0.20 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 3b3b h LEU 572 CO -0.01 0.95 0.14 0.00 0.09 0.00 0.00 178.44 179.61 3b3b h ALA 573 N 1.13 0.71 -0.72 1.53 0.00 -0.93 0.22 119.26 121.20 3b3b h ALA 573 Ca 0.13 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.25 3b3b h ALA 573 Cb 0.60 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 3b3b h ALA 573 CO 0.04 -0.30 0.38 1.15 0.00 0.00 0.00 179.25 180.52 3b3b h THR 574 N 0.27 0.87 0.00 0.00 2.02 -1.53 -1.21 112.91 113.34 3b3b h THR 574 Ca 0.31 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 67.14 3b3b h THR 574 Cb 0.46 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3b3b h THR 574 CO -0.39 0.12 -0.93 1.88 0.37 0.00 0.00 175.52 176.56 3b3b h TYR 575 N 0.64 0.00 -0.21 3.16 0.05 -1.30 -1.30 116.97 118.01 3b3b h TYR 575 Ca 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.12 3b3b h TYR 575 Cb 0.34 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3b3b h TYR 575 CO -0.10 0.53 0.08 0.82 -1.05 0.00 0.00 178.16 178.45 3b3b h ILE 576 N 0.00 1.17 -0.28 -2.88 2.04 -0.38 -1.15 117.51 116.02 3b3b h ILE 576 Ca -0.07 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3b3b h ILE 576 Cb 1.47 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3b3b h ILE 576 CO 0.06 0.16 0.12 0.11 0.00 0.00 0.00 178.15 178.60 3b3b h LYS 577 N 0.18 0.42 -0.25 2.37 1.57 -1.20 -0.73 116.57 118.93 3b3b h LYS 577 Ca 0.07 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3b3b h LYS 577 Cb 0.18 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 3b3b h LYS 577 CO -0.01 0.42 -0.20 1.25 -0.57 0.00 0.00 179.45 180.35 3b3b h LEU 578 N 0.32 -0.65 -0.53 2.94 5.85 -1.21 -2.42 115.31 119.61 3b3b h LEU 578 Ca 0.10 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3b3b h LEU 578 Cb 0.16 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3b3b h LEU 578 CO -0.01 -0.24 -0.49 0.78 -0.34 0.00 0.00 178.44 178.14 3b3b h ASN 579 N -0.19 0.00 -0.33 1.25 2.35 -1.02 -1.86 115.58 115.78 3b3b h ASN 579 Ca 0.14 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3b3b h ASN 579 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3b3b h ASN 579 CO -0.37 0.49 0.05 0.58 -1.65 0.00 0.00 177.43 176.54 3b3b h VAL 580 N 0.00 1.24 -0.82 2.81 2.07 -0.99 0.11 116.25 120.66 3b3b h VAL 580 Ca -0.00 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.73 3b3b h VAL 580 Cb 1.15 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3b3b h VAL 580 CO 0.06 0.28 0.52 0.00 0.02 0.00 0.00 177.57 178.45 3b3b h ALA 581 N 0.89 1.10 -0.27 1.67 0.00 -1.24 -1.90 119.26 119.51 3b3b h ALA 581 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3b3b h ALA 581 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3b3b h ALA 581 CO 0.01 0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.70 3b3b h ARG 582 N 1.00 0.40 -0.69 0.00 3.08 -1.21 -2.83 114.38 114.13 3b3b h ARG 582 Ca 0.34 -0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.44 3b3b h ARG 582 Cb 0.05 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 29.94 3b3b h ARG 582 CO -0.13 0.41 0.24 1.25 -1.07 0.00 0.00 179.97 180.68 3b3b h HIS 583 N 0.29 0.41 0.00 3.04 2.76 -0.47 -0.15 115.15 121.03 3b3b h HIS 583 Ca 0.09 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 3b3b h HIS 583 Cb 0.16 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.04 3b3b h HIS 583 CO -0.01 0.05 -0.04 1.96 -1.30 0.00 0.00 177.93 178.59 3b3b h GLN 584 N 0.39 0.00 -0.68 5.26 4.20 -1.13 -1.09 115.11 122.07 3b3b h GLN 584 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3b3b h GLN 584 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3b3b h GLN 584 CO -0.38 0.04 0.00 1.04 -0.67 0.00 0.00 178.83 178.86 3b3b n GLN 585 N -3.48 2.63 -1.86 1.46 6.02 -0.24 -4.95 117.38 116.96 3b3b n GLN 585 Ca -0.02 -2.53 -0.10 0.00 -0.01 0.00 0.00 57.00 54.34 3b3b n GLN 585 Cb 0.15 -1.55 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 3b3b n GLN 585 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3b3b n GLY 586 N 1.62 0.39 3.72 1.08 0.00 -0.41 -5.04 105.19 106.55 3b3b n GLY 586 Ca 0.23 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 3b3b n GLY 586 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3b3b s GLN 587 N -3.89 2.76 0.82 1.61 -0.21 -0.25 -5.00 119.66 115.50 3b3b s GLN 587 Ca 0.00 -0.69 -0.12 0.00 0.02 0.00 0.00 55.36 54.57 3b3b s GLN 587 Cb 0.00 -2.66 0.08 0.00 1.00 0.00 0.00 33.01 31.43 3b3b s GLN 587 CO 0.00 0.58 1.17 -1.25 -2.12 0.00 0.00 175.29 173.67 3b3b s PRO 588 N -2.02 1.89 0.34 2.91 0.04 -1.26 -3.74 135.00 133.16 3b3b s PRO 588 Ca 0.24 0.16 -0.28 0.00 0.04 0.00 0.00 61.00 61.16 3b3b s PRO 588 Cb -0.12 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 3b3b s PRO 588 CO 0.16 -1.65 1.36 -0.11 0.04 0.00 0.00 177.00 176.80 3b3b n LEU 589 N -3.37 3.81 -4.05 -3.56 7.94 -1.26 -4.91 117.00 111.61 3b3b n LEU 589 Ca 0.08 1.20 -0.25 0.00 -1.11 0.00 0.00 56.01 55.93 3b3b n LEU 589 Cb 0.60 -1.51 -0.17 0.00 0.53 0.00 0.00 43.42 42.88 3b3b n LEU 589 CO 0.57 -0.31 -0.48 -0.55 -1.11 0.00 0.00 177.39 175.51 3b3b s SER 590 N -0.16 1.88 -0.16 1.96 0.15 -1.26 -5.13 113.70 110.98 3b3b s SER 590 Ca 0.57 -0.32 -0.07 0.00 0.70 0.00 0.00 55.95 56.83 3b3b s SER 590 Cb -0.55 -0.84 0.07 0.00 -1.71 0.00 0.00 66.02 62.99 3b3b s SER 590 CO 0.61 0.05 0.35 -0.22 1.20 0.00 0.00 173.24 175.23 3b3b s LEU 591 N 0.58 -0.26 0.55 3.45 2.96 -1.26 -4.84 118.68 119.86 3b3b s LEU 591 Ca -0.14 0.79 -0.22 0.00 -0.22 0.00 0.00 54.13 54.35 3b3b s LEU 591 Cb -0.15 1.08 -0.05 0.00 0.50 0.00 0.00 46.19 47.57 3b3b s LEU 591 CO 0.04 -0.22 1.37 -2.84 -1.32 0.00 0.00 176.35 173.38 3b3b s PRO 592 N 2.06 3.11 0.25 0.98 0.02 -1.26 -4.89 135.00 135.27 3b3b s PRO 592 Ca -0.04 2.26 -0.03 0.00 0.02 0.00 0.00 61.00 63.21 3b3b s PRO 592 Cb -0.11 -2.25 0.48 0.00 0.02 0.00 0.00 34.50 32.64 3b3b s PRO 592 CO -0.11 -1.22 1.77 0.28 -0.33 0.00 0.00 177.00 177.39 3b3b h VAL 593 N 1.42 0.78 0.00 3.83 2.07 -2.01 -2.05 116.25 120.30 3b3b h VAL 593 Ca -0.51 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3b3b h VAL 593 Cb 1.30 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3b3b h VAL 593 CO 0.57 0.12 -0.03 1.12 0.02 0.00 0.00 177.57 179.37 3b3b h HIS 594 N 0.65 0.00 0.11 1.57 2.07 -1.99 -1.45 115.15 116.12 3b3b h HIS 594 Ca 0.43 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.95 3b3b h HIS 594 Cb 0.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.53 3b3b h HIS 594 CO -0.09 0.03 -0.05 0.28 -3.07 0.00 0.00 177.93 175.02 3b3b h VAL 595 N 0.00 1.09 -1.00 6.12 2.07 -1.73 -2.61 116.25 120.18 3b3b h VAL 595 Ca -0.00 -1.15 0.15 0.00 0.82 0.00 0.00 66.70 66.51 3b3b h VAL 595 Cb 0.26 1.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 3b3b h VAL 595 CO 0.00 0.26 0.63 0.00 0.02 0.00 0.00 177.57 178.48 3b3b h ALA 596 N 0.02 1.58 -0.85 1.67 0.00 -1.47 -1.87 119.26 118.35 3b3b h ALA 596 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3b3b h ALA 596 Cb 0.54 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3b3b h ALA 596 CO 0.02 0.12 0.56 -0.44 0.00 0.00 0.00 179.25 179.52 3b3b h ASP 597 N 0.91 0.96 -0.86 0.00 3.32 -1.27 -1.09 116.42 118.40 3b3b h ASP 597 Ca 0.53 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.54 3b3b h ASP 597 Cb 0.64 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 3b3b h ASP 597 CO -0.30 0.69 0.49 0.00 -1.72 0.00 0.00 179.24 178.40 3b3b h ALA 598 N 1.48 1.10 -0.08 3.45 0.00 -0.93 -1.13 119.26 123.14 3b3b h ALA 598 Ca 0.31 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3b3b h ALA 598 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 3b3b h ALA 598 CO -0.07 0.59 -0.71 0.74 0.00 0.00 0.00 179.25 179.80 3b3b h PHE 599 N 1.19 0.51 -0.37 0.00 0.04 -1.36 -2.46 116.94 114.50 3b3b h PHE 599 Ca 0.30 -0.22 0.04 0.00 2.80 0.00 0.00 57.97 60.90 3b3b h PHE 599 Cb -0.00 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.03 3b3b h PHE 599 CO 0.00 0.97 0.12 -0.09 -0.60 0.00 0.00 178.31 178.71 3b3b h ARG 600 N 0.26 0.26 -0.98 1.51 2.43 -0.96 -1.84 114.38 115.07 3b3b h ARG 600 Ca -0.03 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3b3b h ARG 600 Cb 1.28 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.71 3b3b h ARG 600 CO 0.12 0.17 0.64 0.00 -1.51 0.00 0.00 179.97 179.40 3b3b h ALA 601 N 1.24 1.38 -0.25 2.80 0.00 -1.05 -0.88 119.26 122.50 3b3b h ALA 601 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3b3b h ALA 601 Cb 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3b3b h ALA 601 CO -0.18 0.52 0.11 0.28 0.00 0.00 0.00 179.25 179.97 3b3b h VAL 602 N 1.22 1.16 -0.84 0.00 2.07 -1.17 -0.27 116.25 118.41 3b3b h VAL 602 Ca 0.40 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.50 3b3b h VAL 602 Cb 0.04 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3b3b h VAL 602 CO -0.13 0.16 0.53 -0.07 0.02 0.00 0.00 177.57 178.08 3b3b h LEU 603 N 0.25 0.83 -0.30 2.57 3.38 -0.67 -2.98 115.31 118.40 3b3b h LEU 603 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3b3b h LEU 603 Cb 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3b3b h LEU 603 CO -0.01 0.54 -0.41 0.18 0.09 0.00 0.00 178.44 178.83 3b3b n LEU 604 N -4.62 0.88 -4.63 1.67 4.77 -0.40 -4.88 117.00 109.79 3b3b n LEU 604 Ca 0.12 -0.20 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 3b3b n LEU 604 Cb 0.16 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3b3b n LEU 604 CO 0.31 0.18 1.35 -0.62 -1.33 0.00 0.00 177.39 177.28 3b3b s ASP 605 N -2.73 6.42 0.38 -1.43 -1.08 -0.13 -4.89 116.67 113.22 3b3b s ASP 605 Ca 0.18 1.60 0.19 0.00 -0.52 0.00 0.00 52.55 54.00 3b3b s ASP 605 Cb 0.18 -2.53 0.69 0.00 -1.46 0.00 0.00 42.92 39.80 3b3b s ASP 605 CO 0.62 -1.23 1.74 -0.33 0.52 0.00 0.00 175.17 176.48 3b3b h GLU 606 N 10.55 0.00 0.00 4.34 5.08 -1.90 -3.28 114.58 129.38 3b3b h GLU 606 Ca -0.33 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.97 3b3b h GLU 606 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3b3b h GLU 606 CO 1.00 0.36 -0.56 0.87 -1.00 0.00 0.00 179.01 179.69 3b3b h LYS 607 N 0.00 0.00 -6.72 2.33 1.57 -1.98 -3.47 116.57 108.31 3b3b h LYS 607 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3b3b h LYS 607 Cb 0.89 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.23 3b3b h LYS 607 CO 0.05 0.21 0.60 -1.50 -0.57 0.00 0.00 179.45 178.23 3b3b s ILE 608 N -3.12 3.28 0.08 1.86 2.07 -1.24 -4.95 121.20 119.19 3b3b s ILE 608 Ca 0.03 1.12 -0.32 0.00 -1.41 0.00 0.00 60.65 60.07 3b3b s ILE 608 Cb 0.07 -3.71 -0.11 0.00 0.13 0.00 0.00 42.46 38.84 3b3b s ILE 608 CO 0.74 0.20 1.85 -0.67 -1.91 0.00 0.00 174.94 175.14 3b3b n ASP 609 N 2.16 3.91 0.03 4.50 -0.08 -1.26 -4.86 116.55 120.94 3b3b n ASP 609 Ca 0.04 0.98 0.20 0.00 -1.51 0.00 0.00 54.79 54.49 3b3b n ASP 609 Cb 0.43 -1.51 0.70 0.00 2.34 0.00 0.00 41.12 43.09 3b3b n ASP 609 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3b3b h PRO 610 N 8.80 0.00 -0.74 -0.67 0.13 -1.92 0.26 132.00 137.85 3b3b h PRO 610 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3b3b h PRO 610 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 3b3b h PRO 610 CO 0.94 0.00 0.44 0.00 -0.23 0.00 0.00 178.00 179.15 3b3b h ALA 611 N 1.73 0.94 -0.04 -0.56 0.00 -1.90 0.31 119.26 119.74 3b3b h ALA 611 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3b3b h ALA 611 Cb 0.96 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3b3b h ALA 611 CO -0.00 0.42 -0.05 1.25 0.00 0.00 0.00 179.25 180.87 3b3b h LEU 612 N 1.01 0.12 -0.68 0.00 5.85 -1.37 -3.02 115.31 117.22 3b3b h LEU 612 Ca 0.26 -0.51 0.13 0.00 0.84 0.00 0.00 57.88 58.61 3b3b h LEU 612 Cb -0.02 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 3b3b h LEU 612 CO -0.05 0.60 0.19 0.00 -0.34 0.00 0.00 178.44 178.84 3b3b h ALA 613 N 0.52 0.87 -0.87 1.25 0.00 -1.08 -1.12 119.26 118.83 3b3b h ALA 613 Ca 0.01 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3b3b h ALA 613 Cb 0.57 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3b3b h ALA 613 CO 0.01 -0.28 0.55 0.00 0.00 0.00 0.00 179.25 179.53 3b3b h ALA 614 N 1.53 1.15 -0.25 0.00 0.00 -0.95 -0.77 119.26 119.97 3b3b h ALA 614 Ca 0.37 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 3b3b h ALA 614 Cb 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3b3b h ALA 614 CO -0.43 0.38 -0.60 0.93 0.00 0.00 0.00 179.25 179.53 3b3b h GLU 615 N 1.06 0.84 -0.63 0.00 4.39 -1.15 -2.32 114.58 116.78 3b3b h GLU 615 Ca 0.35 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 3b3b h GLU 615 Cb 0.04 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3b3b h GLU 615 CO -0.13 1.19 0.36 0.82 -1.16 0.00 0.00 179.01 180.10 3b3b h ILE 616 N 0.63 1.18 -0.22 3.13 2.04 -0.97 -2.16 117.51 121.14 3b3b h ILE 616 Ca -0.00 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3b3b h ILE 616 Cb 1.21 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3b3b h ILE 616 CO 0.13 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.65 3b3b n LEU 617 N -4.40 1.21 -4.33 1.44 4.77 -0.32 -4.64 117.00 110.73 3b3b n LEU 617 Ca 0.06 -0.60 -0.39 0.00 -0.03 0.00 0.00 56.01 55.05 3b3b n LEU 617 Cb 0.08 -0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 3b3b n LEU 617 CO 0.37 0.30 -0.22 -0.89 -1.33 0.00 0.00 177.39 175.62 3b3b s THR 618 N -1.71 4.15 0.54 -5.08 2.01 -0.81 -4.87 115.64 109.87 3b3b s THR 618 Ca 0.16 -0.95 -0.21 0.00 0.31 0.00 0.00 61.69 61.00 3b3b s THR 618 Cb 0.08 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 3b3b s THR 618 CO 0.11 -0.16 1.25 -0.76 -0.69 0.00 0.00 174.62 174.37 3b3b s LEU 619 N 1.48 3.81 0.31 4.42 1.43 -1.26 -4.94 118.68 123.93 3b3b s LEU 619 Ca 0.00 2.51 -0.27 0.00 -1.03 0.00 0.00 54.13 55.34 3b3b s LEU 619 Cb -0.19 -4.40 -0.14 0.00 0.03 0.00 0.00 46.19 41.49 3b3b s LEU 619 CO 0.04 -1.43 0.92 -2.65 0.23 0.00 0.00 176.35 173.46 3b3b n PRO 620 N -1.13 1.15 -1.22 1.29 -0.02 -1.26 -4.95 135.00 128.86 3b3b n PRO 620 Ca 0.11 0.41 -0.29 0.00 -2.02 0.00 0.00 63.50 61.71 3b3b n PRO 620 Cb 0.48 -1.76 0.16 0.00 -0.02 0.00 0.00 33.50 32.36 3b3b n PRO 620 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3b3b s SER 621 N -0.66 2.96 0.54 2.55 1.04 -1.26 -4.72 113.70 114.15 3b3b s SER 621 Ca 0.60 1.26 0.21 0.00 0.48 0.00 0.00 55.95 58.50 3b3b s SER 621 Cb -0.69 -1.92 1.45 0.00 0.10 0.00 0.00 66.02 64.95 3b3b s SER 621 CO 0.59 -2.93 2.16 -0.37 0.98 0.00 0.00 173.24 173.67 3b3b h VAL 622 N -1.75 0.82 -0.12 5.02 -1.51 -1.95 0.75 116.25 117.52 3b3b h VAL 622 Ca -0.53 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 64.73 3b3b h VAL 622 Cb 1.32 0.97 0.01 0.00 -2.13 0.00 0.00 31.29 31.45 3b3b h VAL 622 CO 0.57 0.00 -0.75 0.78 -1.23 0.00 0.00 177.57 176.94 3b3b h ASN 623 N 0.00 0.86 -0.80 4.19 -0.26 -1.91 -1.23 115.58 116.44 3b3b h ASN 623 Ca 0.03 -0.65 -0.04 0.00 -0.56 0.00 0.00 56.30 55.07 3b3b h ASN 623 Cb 0.11 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 37.08 3b3b h ASN 623 CO -0.00 1.38 0.33 -0.33 -1.06 0.00 0.00 177.43 177.75 3b3b h GLU 624 N 0.41 1.19 -0.67 0.81 5.08 -1.54 -2.94 114.58 116.91 3b3b h GLU 624 Ca -0.06 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 3b3b h GLU 624 Cb 1.39 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3b3b h GLU 624 CO 0.15 0.95 0.19 0.52 -1.00 0.00 0.00 179.01 179.83 3b3b h MET 625 N 1.16 1.05 -0.85 2.33 2.86 -0.85 -2.81 114.93 117.81 3b3b h MET 625 Ca 0.27 -0.23 0.16 0.00 -2.06 0.00 0.00 59.70 57.84 3b3b h MET 625 Cb 0.20 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 3b3b h MET 625 CO -0.02 0.92 0.56 0.00 1.06 0.00 0.00 176.91 179.42 3b3b h ALA 626 N 1.08 2.01 0.00 6.32 0.00 -1.04 -0.96 119.26 126.67 3b3b h ALA 626 Ca 0.21 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3b3b h ALA 626 Cb 0.32 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3b3b h ALA 626 CO -0.00 -0.26 -0.01 1.49 0.00 0.00 0.00 179.25 180.47 3b3b h GLU 627 N 0.53 0.00 0.00 0.00 4.57 -1.41 -2.02 114.58 116.26 3b3b h GLU 627 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 3b3b h GLU 627 Cb 0.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3b3b h GLU 627 CO -0.17 0.01 0.00 1.28 -1.18 0.00 0.00 179.01 178.94 3b3b n LEU 628 N -3.18 0.12 -4.21 1.64 4.77 -0.36 -4.85 117.00 110.93 3b3b n LEU 628 Ca -0.02 0.52 -0.26 0.00 -0.03 0.00 0.00 56.01 56.21 3b3b n LEU 628 Cb 0.11 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.55 3b3b n LEU 628 CO 0.22 -0.17 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.23 3b3b s PHE 629 N -3.03 1.77 0.02 -1.77 0.08 -0.76 -5.04 117.98 109.24 3b3b s PHE 629 Ca 0.10 -0.34 -0.25 0.00 0.12 0.00 0.00 56.93 56.56 3b3b s PHE 629 Cb 0.14 -1.13 -0.17 0.00 -0.57 0.00 0.00 43.02 41.28 3b3b s PHE 629 CO 0.41 -0.03 1.29 -0.44 -0.10 0.00 0.00 175.22 176.36 3b3b h ASP 630 N 5.62 -0.34 -3.58 1.36 3.32 -1.89 -3.41 116.42 117.51 3b3b h ASP 630 Ca -0.39 -0.17 -0.64 0.00 0.02 0.00 0.00 57.03 55.85 3b3b h ASP 630 Cb 1.14 0.09 -0.21 0.00 0.22 0.00 0.00 39.33 40.57 3b3b h ASP 630 CO 0.48 0.00 -0.61 -0.63 -1.72 0.00 0.00 179.24 176.76 3b3b s ILE 631 N -4.83 4.43 -0.13 0.35 -1.09 -1.26 -4.78 121.20 113.89 3b3b s ILE 631 Ca -0.14 -0.14 -0.24 0.00 -2.23 0.00 0.00 60.65 57.89 3b3b s ILE 631 Cb 0.02 -3.06 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 3b3b s ILE 631 CO 0.56 0.36 0.78 -0.63 -1.23 0.00 0.00 174.94 174.78 3b3b s ILE 632 N 1.34 4.94 -0.60 2.92 1.01 0.11 -5.00 121.20 125.93 3b3b s ILE 632 Ca 0.05 1.55 -0.11 0.00 0.00 0.00 0.00 60.65 62.15 3b3b s ILE 632 Cb -0.15 -4.10 0.15 0.00 0.01 0.00 0.00 42.46 38.38 3b3b s ILE 632 CO 0.04 0.11 0.50 -0.62 0.00 0.00 0.00 174.94 174.97 3b3b s ASP 633 N 1.05 6.00 0.35 3.58 -1.08 -1.26 -4.55 116.67 120.75 3b3b s ASP 633 Ca 0.38 -2.24 0.15 0.00 -0.52 0.00 0.00 52.55 50.32 3b3b s ASP 633 Cb -0.17 -2.08 0.62 0.00 -1.46 0.00 0.00 42.92 39.83 3b3b s ASP 633 CO 0.15 -0.64 1.72 1.55 0.52 0.00 0.00 175.17 178.47 3b3b h PRO 634 N 8.14 0.00 0.02 4.34 0.13 -1.95 -0.75 132.00 141.92 3b3b h PRO 634 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3b3b h PRO 634 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3b3b h PRO 634 CO 0.84 0.44 -0.01 0.82 -0.23 0.00 0.00 178.00 179.87 3b3b h ILE 635 N 0.00 1.34 -0.63 -3.56 2.04 -1.88 -1.91 117.51 112.91 3b3b h ILE 635 Ca -0.00 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 64.85 3b3b h ILE 635 Cb 0.90 2.07 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 3b3b h ILE 635 CO 0.06 0.28 0.30 0.00 0.00 0.00 0.00 178.15 178.78 3b3b h ALA 636 N 0.48 0.84 -0.25 1.87 0.00 -1.91 -1.08 119.26 119.20 3b3b h ALA 636 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3b3b h ALA 636 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3b3b h ALA 636 CO 0.00 -0.08 0.15 0.82 0.00 0.00 0.00 179.25 180.15 3b3b h ILE 637 N 0.54 1.04 -0.60 0.00 2.04 -1.13 0.55 117.51 119.95 3b3b h ILE 637 Ca 0.30 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 66.01 3b3b h ILE 637 Cb 0.29 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3b3b h ILE 637 CO -0.24 0.06 0.19 0.00 0.00 0.00 0.00 178.15 178.16 3b3b h ALA 638 N 1.10 0.78 -0.30 1.87 0.00 -1.00 -0.15 119.26 121.57 3b3b h ALA 638 Ca 0.10 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3b3b h ALA 638 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3b3b h ALA 638 CO -0.04 0.44 -0.47 0.93 0.00 0.00 0.00 179.25 180.12 3b3b h GLU 639 N 0.85 0.79 -0.43 0.00 4.39 -1.04 -2.25 114.58 116.89 3b3b h GLU 639 Ca 0.19 -0.45 -0.08 0.00 0.34 0.00 0.00 59.36 59.36 3b3b h GLU 639 Cb 0.28 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3b3b h GLU 639 CO -0.01 1.08 -0.04 0.28 -1.16 0.00 0.00 179.01 179.16 3b3b h VAL 640 N 0.63 1.27 -0.54 3.13 2.07 -0.71 -0.51 116.25 121.58 3b3b h VAL 640 Ca 0.03 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.48 3b3b h VAL 640 Cb 1.05 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3b3b h VAL 640 CO 0.10 0.38 0.29 -0.09 0.02 0.00 0.00 177.57 178.27 3b3b h ARG 641 N 0.62 0.55 -0.40 1.57 2.43 -0.88 0.11 114.38 118.39 3b3b h ARG 641 Ca 0.12 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3b3b h ARG 641 Cb 0.56 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3b3b h ARG 641 CO 0.03 0.37 0.16 1.49 -1.51 0.00 0.00 179.97 180.50 3b3b h GLU 642 N 0.57 0.60 -0.69 0.20 4.81 -1.28 -1.30 114.58 117.49 3b3b h GLU 642 Ca 0.23 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3b3b h GLU 642 Cb 0.10 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3b3b h GLU 642 CO -0.14 0.57 0.22 0.00 -0.73 0.00 0.00 179.01 178.93 3b3b h ALA 643 N 1.00 1.08 -0.54 2.92 0.00 -0.64 0.68 119.26 123.76 3b3b h ALA 643 Ca 0.13 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3b3b h ALA 643 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3b3b h ALA 643 CO -0.01 0.63 0.01 1.25 0.00 0.00 0.00 179.25 181.13 3b3b h LEU 644 N 1.02 0.92 -0.49 0.00 5.85 -0.68 0.17 115.31 122.10 3b3b h LEU 644 Ca 0.23 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3b3b h LEU 644 Cb 0.29 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3b3b h LEU 644 CO -0.01 1.00 0.28 0.74 -0.34 0.00 0.00 178.44 180.11 3b3b h THR 645 N 0.82 1.16 -0.51 1.05 2.02 -0.75 -1.54 112.91 115.17 3b3b h THR 645 Ca 0.15 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 3b3b h THR 645 Cb 0.52 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3b3b h THR 645 CO 0.03 0.17 0.08 0.03 0.37 0.00 0.00 175.52 176.19 3b3b h ARG 646 N 0.65 0.84 -0.36 6.66 3.08 -0.69 -0.54 114.38 124.02 3b3b h ARG 646 Ca 0.17 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3b3b h ARG 646 Cb 0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3b3b h ARG 646 CO -0.03 0.83 0.18 1.15 -1.07 0.00 0.00 179.97 181.04 3b3b h THR 647 N 0.72 1.16 -0.45 2.04 2.02 -0.85 -0.98 112.91 116.57 3b3b h THR 647 Ca 0.15 -0.44 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 3b3b h THR 647 Cb 0.41 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3b3b h THR 647 CO 0.01 0.17 -0.12 -0.07 0.37 0.00 0.00 175.52 175.88 3b3b h LEU 648 N 0.45 0.82 -0.76 2.58 3.38 -1.22 -0.37 115.31 120.18 3b3b h LEU 648 Ca 0.12 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3b3b h LEU 648 Cb 0.10 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3b3b h LEU 648 CO -0.02 0.95 0.48 0.00 0.09 0.00 0.00 178.44 179.95 3b3b h ALA 649 N 1.12 1.00 0.03 1.53 0.00 -0.82 0.16 119.26 122.28 3b3b h ALA 649 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3b3b h ALA 649 Cb 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3b3b h ALA 649 CO 0.04 0.28 -0.01 1.15 0.00 0.00 0.00 179.25 180.70 3b3b h THR 650 N 0.93 1.32 -0.18 0.00 2.02 -0.93 -2.29 112.91 113.79 3b3b h THR 650 Ca 0.31 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 3b3b h THR 650 Cb 0.02 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3b3b h THR 650 CO -0.12 0.29 -0.04 -0.33 0.37 0.00 0.00 175.52 175.70 3b3b h GLU 651 N -0.55 0.27 -0.28 6.66 4.39 -0.97 -3.16 114.58 120.95 3b3b h GLU 651 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3b3b h GLU 651 Cb 0.51 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3b3b h GLU 651 CO 0.01 0.33 0.00 1.28 -1.16 0.00 0.00 179.01 179.47 3b3b n LEU 652 N -4.34 3.44 -0.20 1.33 4.77 0.03 -4.82 117.00 117.22 3b3b n LEU 652 Ca -0.00 -2.61 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 3b3b n LEU 652 Cb 0.21 -0.41 0.11 0.00 -2.33 0.00 0.00 43.42 40.99 3b3b n LEU 652 CO 0.37 0.69 0.95 0.00 -1.33 0.00 0.00 177.39 178.08 3b3b h ALA 653 N 1.80 0.74 -0.24 -1.18 0.00 -1.37 0.14 119.26 119.15 3b3b h ALA 653 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3b3b h ALA 653 Cb 1.14 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3b3b h ALA 653 CO 0.13 -0.25 -0.11 -0.44 0.00 0.00 0.00 179.25 178.58 3b3b h ASP 654 N 0.34 0.51 -0.46 0.00 3.32 -1.87 -2.33 116.42 115.91 3b3b h ASP 654 Ca 0.31 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3b3b h ASP 654 Cb 0.41 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3b3b h ASP 654 CO -0.34 0.80 0.14 -0.33 -1.72 0.00 0.00 179.24 177.79 3b3b h GLU 655 N 0.21 0.72 -0.67 3.56 3.07 -1.77 -1.36 114.58 118.34 3b3b h GLU 655 Ca 0.05 -0.16 0.03 0.00 -0.50 0.00 0.00 59.36 58.78 3b3b h GLU 655 Cb 0.60 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 3b3b h GLU 655 CO 0.03 0.69 0.42 -0.07 -1.40 0.00 0.00 179.01 178.69 3b3b h LEU 656 N 0.61 0.70 -0.59 1.33 3.38 -0.72 -1.23 115.31 118.79 3b3b h LEU 656 Ca 0.15 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3b3b h LEU 656 Cb 0.27 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3b3b h LEU 656 CO -0.00 0.49 -0.18 0.25 0.09 0.00 0.00 178.44 179.08 3b3b h LEU 657 N 0.83 0.95 -0.30 1.67 5.85 -1.18 -0.41 115.31 122.71 3b3b h LEU 657 Ca 0.27 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3b3b h LEU 657 Cb 0.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3b3b h LEU 657 CO -0.10 1.11 0.18 0.00 -0.34 0.00 0.00 178.44 179.28 3b3b h ALA 658 N 0.97 0.39 -0.24 1.25 0.00 -0.90 -0.89 119.26 119.83 3b3b h ALA 658 Ca 0.12 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 3b3b h ALA 658 Cb 0.73 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3b3b h ALA 658 CO 0.06 -0.11 -0.56 0.82 0.00 0.00 0.00 179.25 179.46 3b3b h ILE 659 N 0.38 1.30 -0.16 0.00 1.08 -1.15 -0.07 117.51 118.90 3b3b h ILE 659 Ca 0.11 -1.77 0.05 0.00 -0.39 0.00 0.00 64.86 62.86 3b3b h ILE 659 Cb 0.02 1.71 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 3b3b h ILE 659 CO -0.02 0.56 -0.21 0.22 -0.69 0.00 0.00 178.15 178.01 3b3b h TYR 660 N 0.55 -0.56 -0.62 1.37 3.20 -0.93 -2.47 116.97 117.51 3b3b h TYR 660 Ca 0.01 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 3b3b h TYR 660 Cb 1.13 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 3b3b h TYR 660 CO 0.06 -0.29 0.08 -0.91 -1.64 0.00 0.00 178.16 175.46 3b3b h ASN 661 N -0.26 1.00 0.26 -2.11 -0.26 -0.96 -3.02 115.58 110.23 3b3b h ASN 661 Ca 0.11 -0.27 -0.02 0.00 -0.56 0.00 0.00 56.30 55.56 3b3b h ASN 661 Cb 0.42 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 3b3b h ASN 661 CO -0.30 1.02 -0.07 0.00 -1.06 0.00 0.00 177.43 177.01 3b3b h ALA 662 N 1.02 1.32 -0.67 -0.83 0.00 -0.81 -2.62 119.26 116.67 3b3b h ALA 662 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3b3b h ALA 662 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3b3b h ALA 662 CO 0.02 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3b3b n ASN 663 N -3.64 3.79 -4.67 0.00 3.02 -0.95 -4.96 115.26 107.86 3b3b n ASN 663 Ca -0.02 -2.00 -0.44 0.00 -0.03 0.00 0.00 54.58 52.08 3b3b n ASN 663 Cb 0.18 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 3b3b n ASN 663 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b3b n TYR 664 N 1.45 2.10 -3.83 3.10 9.36 -0.99 -4.66 117.16 123.69 3b3b n TYR 664 Ca 0.22 0.50 -0.25 0.00 3.32 0.00 0.00 57.90 61.69 3b3b n TYR 664 Cb 0.59 -2.42 -0.17 0.00 -0.63 0.00 0.00 39.34 36.71 3b3b n TYR 664 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3b3b s GLN 665 N -0.92 1.04 0.12 2.98 -0.21 -1.26 -5.04 119.66 116.37 3b3b s GLN 665 Ca 0.64 -0.15 -0.09 0.00 0.02 0.00 0.00 55.36 55.78 3b3b s GLN 665 Cb -0.64 -1.44 -0.09 0.00 1.00 0.00 0.00 33.01 31.84 3b3b s GLN 665 CO 0.54 -0.34 1.33 0.66 -2.12 0.00 0.00 175.29 175.36 3b3b h SER 666 N 8.24 0.77 -3.51 5.90 4.64 -2.03 -3.43 113.55 124.12 3b3b h SER 666 Ca -0.23 -0.53 -0.53 0.00 -0.47 0.00 0.00 61.79 60.03 3b3b h SER 666 Cb 1.12 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 3b3b h SER 666 CO 0.34 1.31 0.21 -1.61 -0.87 0.00 0.00 176.83 176.20 3b3b s GLU 667 N -3.62 4.58 -0.26 4.77 0.41 -1.26 -5.02 118.70 118.31 3b3b s GLU 667 Ca -0.08 1.19 -0.14 0.00 -0.41 0.00 0.00 54.97 55.52 3b3b s GLU 667 Cb 0.09 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 3b3b s GLU 667 CO 0.88 0.43 0.34 -0.47 -0.49 0.00 0.00 175.26 175.96 3b3b s TYR 668 N -0.65 3.27 -0.02 1.61 5.04 -1.26 -5.08 117.35 120.26 3b3b s TYR 668 Ca 0.38 0.40 0.04 0.00 -2.44 0.00 0.00 57.07 55.45 3b3b s TYR 668 Cb -0.22 -2.52 -0.01 0.00 0.35 0.00 0.00 41.96 39.55 3b3b s TYR 668 CO 0.26 -0.17 -0.13 1.03 -1.34 0.00 0.00 175.55 175.20 3b3b s ARG 669 N 1.86 1.13 -1.29 4.97 0.52 -1.26 -5.05 118.95 119.83 3b3b s ARG 669 Ca 0.14 -0.46 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 3b3b s ARG 669 Cb -0.15 -1.07 0.15 0.00 0.52 0.00 0.00 34.95 34.39 3b3b s ARG 669 CO 0.09 0.25 1.82 0.28 0.02 0.00 0.00 175.30 177.76 3b3b n VAL 670 N 2.88 4.19 -3.96 3.52 0.31 -1.26 -4.49 118.33 119.52 3b3b n VAL 670 Ca -0.15 -4.28 -0.13 0.00 -0.01 0.00 0.00 64.34 59.77 3b3b n VAL 670 Cb 0.55 -2.41 -0.14 0.00 -0.91 0.00 0.00 33.84 30.93 3b3b n VAL 670 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3b3b s GLU 671 N 1.23 0.16 0.25 5.55 2.02 -1.26 -5.05 118.70 121.59 3b3b s GLU 671 Ca 0.42 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 55.23 3b3b s GLU 671 Cb 0.07 -0.11 0.26 0.00 0.10 0.00 0.00 34.13 34.44 3b3b s GLU 671 CO -0.00 0.03 1.89 0.45 0.02 0.00 0.00 175.26 177.65 3b3b h HIS 672 N 5.94 1.22 -0.65 1.61 3.86 -1.93 0.78 115.15 125.98 3b3b h HIS 672 Ca -0.26 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.93 3b3b h HIS 672 Cb 1.20 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 3b3b h HIS 672 CO 0.44 0.82 0.34 0.93 0.86 0.00 0.00 177.93 181.31 3b3b h GLU 673 N 1.28 0.92 -0.50 2.45 5.08 -1.98 -1.02 114.58 120.81 3b3b h GLU 673 Ca 0.33 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3b3b h GLU 673 Cb -0.04 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3b3b h GLU 673 CO -0.06 0.71 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.19 3b3b h ASP 674 N 0.90 0.89 -0.78 1.42 5.19 -1.59 -2.41 116.42 120.05 3b3b h ASP 674 Ca 0.23 -0.32 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3b3b h ASP 674 Cb 0.07 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.30 3b3b h ASP 674 CO -0.03 1.00 0.47 0.40 -3.12 0.00 0.00 179.24 177.96 3b3b h ILE 675 N 0.77 1.22 -0.10 0.35 2.04 -0.69 -1.38 117.51 119.72 3b3b h ILE 675 Ca 0.14 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3b3b h ILE 675 Cb 0.56 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3b3b h ILE 675 CO 0.03 0.23 0.06 0.00 0.00 0.00 0.00 178.15 178.47 3b3b h ALA 676 N 1.25 0.13 -0.91 1.87 0.00 -1.03 0.12 119.26 120.68 3b3b h ALA 676 Ca 0.28 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3b3b h ALA 676 Cb -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3b3b h ALA 676 CO -0.05 -0.35 0.60 0.87 0.00 0.00 0.00 179.25 180.31 3b3b h LYS 677 N 0.09 1.13 -0.39 0.00 1.57 -1.29 -1.54 116.57 116.15 3b3b h LYS 677 Ca 0.04 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3b3b h LYS 677 Cb 0.04 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3b3b h LYS 677 CO -0.01 0.75 -0.28 -0.09 -0.57 0.00 0.00 179.45 179.25 3b3b h ARG 678 N 1.17 0.83 -0.65 3.15 2.43 -0.95 -0.17 114.38 120.19 3b3b h ARG 678 Ca 0.36 -0.37 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3b3b h ARG 678 Cb -0.02 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3b3b h ARG 678 CO -0.11 1.00 0.18 1.15 -1.51 0.00 0.00 179.97 180.68 3b3b h THR 679 N 0.71 1.25 -0.23 0.20 2.02 -0.46 -0.26 112.91 116.14 3b3b h THR 679 Ca 0.08 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 3b3b h THR 679 Cb 0.82 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3b3b h THR 679 CO 0.07 0.34 0.04 0.25 0.37 0.00 0.00 175.52 176.60 3b3b h LEU 680 N 0.95 0.37 -0.55 2.58 5.85 -1.14 -0.40 115.31 122.97 3b3b h LEU 680 Ca 0.21 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3b3b h LEU 680 Cb 0.34 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3b3b h LEU 680 CO -0.00 0.53 0.33 -0.09 -0.34 0.00 0.00 178.44 178.87 3b3b h ARG 681 N 0.19 0.64 0.00 1.25 2.43 -0.81 -1.00 114.38 117.08 3b3b h ARG 681 Ca 0.07 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 3b3b h ARG 681 Cb 0.32 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3b3b h ARG 681 CO 0.00 0.42 -0.37 -0.91 -1.51 0.00 0.00 179.97 177.61 3b3b h ASN 682 N 0.66 0.00 -0.46 -3.80 -0.26 -0.97 -0.25 115.58 110.50 3b3b h ASN 682 Ca 0.22 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.89 3b3b h ASN 682 Cb 0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 3b3b h ASN 682 CO -0.10 0.37 0.01 0.00 -1.06 0.00 0.00 177.43 176.65 3b3b h ALA 683 N 1.63 0.61 -0.56 -0.83 0.00 -0.43 -1.69 119.26 117.99 3b3b h ALA 683 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3b3b h ALA 683 Cb 0.89 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3b3b h ALA 683 CO 0.05 0.40 0.32 0.00 0.00 0.00 0.00 179.25 180.02 3b3b h LEU 685 N 0.75 1.01 -0.41 0.00 5.85 -0.83 -0.80 115.31 120.88 3b3b h LEU 685 Ca 0.20 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.97 3b3b h LEU 685 Cb 0.02 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3b3b h LEU 685 CO -0.03 0.63 0.17 -0.09 -0.34 0.00 0.00 178.44 178.78 3b3b h ARG 686 N 1.14 0.34 -0.19 1.25 9.65 -1.05 0.10 114.38 125.62 3b3b h ARG 686 Ca 0.43 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.27 3b3b h ARG 686 Cb 0.20 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3b3b h ARG 686 CO -0.18 0.23 0.02 0.74 2.80 0.00 0.00 179.97 183.58 3b3b h PHE 687 N 0.35 0.35 -0.46 2.20 0.04 -1.38 -3.08 116.94 114.96 3b3b h PHE 687 Ca 0.18 -0.05 0.11 0.00 2.80 0.00 0.00 57.97 61.01 3b3b h PHE 687 Cb 0.14 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3b3b h PHE 687 CO -0.13 0.49 0.32 -0.07 -0.60 0.00 0.00 178.31 178.33 3b3b h LEU 688 N 0.11 0.14 -1.95 1.54 3.38 -0.54 0.14 115.31 118.12 3b3b h LEU 688 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3b3b h LEU 688 Cb 0.34 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3b3b h LEU 688 CO 0.01 0.08 -0.11 0.00 0.09 0.00 0.00 178.44 178.51 3b3b h ALA 689 N 1.77 1.32 -0.63 1.53 0.00 -0.72 -2.61 119.26 119.91 3b3b h ALA 689 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3b3b h ALA 689 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3b3b h ALA 689 CO -0.03 0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.55 3b3b n PHE 690 N -3.69 1.33 -1.18 0.00 3.72 0.46 -4.83 117.46 113.28 3b3b n PHE 690 Ca -0.02 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 3b3b n PHE 690 Cb 0.22 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 3b3b n PHE 690 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3b3b n GLY 691 N 1.11 1.75 3.65 1.37 0.00 -0.98 -4.63 105.19 107.46 3b3b n GLY 691 Ca 0.25 -1.90 -0.48 0.00 0.00 0.00 0.00 46.02 43.88 3b3b n GLY 691 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3b3b n GLU 692 N 0.00 1.80 -0.14 1.61 0.00 -1.26 -4.79 120.64 117.86 3b3b n GLU 692 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 57.16 57.73 3b3b n GLU 692 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 31.44 29.06 3b3b n GLU 692 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3b3b h THR 693 N 3.68 1.14 -0.18 6.31 2.02 -1.94 -0.07 112.91 123.87 3b3b h THR 693 Ca -0.46 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 3b3b h THR 693 Cb 1.28 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3b3b h THR 693 CO 0.86 0.14 0.02 -0.74 0.37 0.00 0.00 175.52 176.17 3b3b h HIS 694 N 0.56 0.32 -0.56 3.16 -0.00 -1.99 0.30 115.15 116.95 3b3b h HIS 694 Ca 0.15 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 3b3b h HIS 694 Cb 0.01 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 3b3b h HIS 694 CO -0.03 0.47 0.30 1.25 -0.00 0.00 0.00 177.93 179.92 3b3b h LEU 695 N 0.08 0.70 -0.14 0.26 5.85 -1.91 -1.67 115.31 118.48 3b3b h LEU 695 Ca 0.05 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3b3b h LEU 695 Cb 0.33 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3b3b h LEU 695 CO 0.00 0.60 -0.12 0.00 -0.34 0.00 0.00 178.44 178.58 3b3b h ALA 696 N 1.13 -0.02 -0.68 1.25 0.00 -0.88 -0.14 119.26 119.92 3b3b h ALA 696 Ca 0.20 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3b3b h ALA 696 Cb 0.06 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3b3b h ALA 696 CO -0.03 -0.57 0.35 0.22 0.00 0.00 0.00 179.25 179.22 3b3b h ASP 697 N -0.14 0.86 -0.09 0.00 3.58 -0.69 -1.08 116.42 118.86 3b3b h ASP 697 Ca 0.09 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 3b3b h ASP 697 Cb 0.27 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 3b3b h ASP 697 CO -0.22 0.71 -0.13 0.58 -2.88 0.00 0.00 179.24 177.30 3b3b h VAL 698 N 0.96 1.38 -0.25 2.25 2.07 -0.96 -1.91 116.25 119.79 3b3b h VAL 698 Ca 0.24 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 3b3b h VAL 698 Cb 0.06 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3b3b h VAL 698 CO -0.04 0.38 0.14 -0.07 0.02 0.00 0.00 177.57 178.01 3b3b h LEU 699 N -0.19 0.30 0.02 2.57 3.38 -0.82 -1.50 115.31 119.07 3b3b h LEU 699 Ca 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3b3b h LEU 699 Cb 0.68 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3b3b h LEU 699 CO 0.03 0.28 -0.01 0.58 0.09 0.00 0.00 178.44 179.41 3b3b h VAL 700 N 0.30 1.22 -0.84 1.22 2.07 -1.25 -1.26 116.25 117.71 3b3b h VAL 700 Ca 0.09 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3b3b h VAL 700 Cb 0.04 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3b3b h VAL 700 CO -0.02 0.19 0.45 0.77 0.02 0.00 0.00 177.57 178.98 3b3b h SER 701 N -0.34 1.06 -0.20 0.57 4.64 -1.36 -1.07 113.55 116.85 3b3b h SER 701 Ca -0.00 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3b3b h SER 701 Cb 0.33 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3b3b h SER 701 CO 0.00 0.86 0.12 0.50 -0.87 0.00 0.00 176.83 177.45 3b3b h LYS 702 N 1.17 0.27 -0.62 4.77 3.64 -1.23 -1.58 116.57 123.00 3b3b h LYS 702 Ca 0.29 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3b3b h LYS 702 Cb 0.05 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3b3b h LYS 702 CO -0.04 0.23 0.29 0.37 -2.27 0.00 0.00 179.45 178.02 3b3b h GLN 703 N 0.24 0.90 -0.49 1.90 4.15 -0.90 0.16 115.11 121.08 3b3b h GLN 703 Ca 0.07 -0.14 0.05 0.00 0.77 0.00 0.00 58.65 59.40 3b3b h GLN 703 Cb 0.02 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.51 3b3b h GLN 703 CO -0.01 0.73 0.23 0.35 -1.93 0.00 0.00 178.83 178.20 3b3b h PHE 704 N 0.86 0.41 0.01 3.99 3.57 -1.03 0.30 116.94 125.05 3b3b h PHE 704 Ca 0.21 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.54 3b3b h PHE 704 Cb 0.14 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3b3b h PHE 704 CO 0.00 0.19 -0.92 0.45 -2.23 0.00 0.00 178.31 175.81 3b3b h HIS 705 N 0.45 0.11 0.00 0.41 3.86 -0.94 -3.30 115.15 115.73 3b3b h HIS 705 Ca 0.22 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3b3b h HIS 705 Cb 0.16 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3b3b h HIS 705 CO -0.12 0.94 -0.80 0.39 0.86 0.00 0.00 177.93 179.21 3b3b n GLU 706 N -3.52 0.09 -1.63 2.45 1.02 0.53 -4.96 120.64 114.63 3b3b n GLU 706 Ca -0.02 -0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.65 3b3b n GLU 706 Cb 0.85 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.71 3b3b n GLU 706 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3b3b n ALA 707 N -1.61 0.17 -0.79 0.62 0.00 0.08 -4.90 120.51 114.09 3b3b n ALA 707 Ca 0.04 0.45 0.08 0.00 0.00 0.00 0.00 53.44 54.01 3b3b n ALA 707 Cb 0.37 -2.17 0.34 0.00 0.00 0.00 0.00 19.45 17.99 3b3b n ALA 707 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3b3b n ASN 708 N 2.31 4.85 -3.48 0.00 6.94 -1.26 -4.93 115.26 119.69 3b3b n ASN 708 Ca 0.14 -2.74 -0.13 0.00 -0.02 0.00 0.00 54.58 51.83 3b3b n ASN 708 Cb 0.27 -0.59 -0.04 0.00 -2.36 0.00 0.00 39.78 37.06 3b3b n ASN 708 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3b3b s ASN 709 N -1.10 -0.56 0.45 0.53 4.22 -1.26 -4.83 114.94 112.40 3b3b s ASN 709 Ca 0.49 0.28 0.23 0.00 -2.14 0.00 0.00 52.86 51.72 3b3b s ASN 709 Cb 0.35 0.53 1.06 0.00 1.28 0.00 0.00 41.25 44.47 3b3b s ASN 709 CO 0.17 -0.75 1.91 -0.03 -2.04 0.00 0.00 177.10 176.36 3b3b h MET 710 N 2.39 0.00 -0.06 3.55 1.85 -1.24 -2.56 114.93 118.87 3b3b h MET 710 Ca -0.29 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 3b3b h MET 710 Cb 1.23 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.26 3b3b h MET 710 CO 0.37 0.23 0.04 1.15 -0.40 0.00 0.00 176.91 178.29 3b3b h THR 711 N 0.00 1.02 -0.18 -0.77 2.02 -1.82 0.60 112.91 113.78 3b3b h THR 711 Ca -0.00 -0.05 -0.19 0.00 0.77 0.00 0.00 66.41 66.94 3b3b h THR 711 Cb 0.60 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3b3b h THR 711 CO 0.03 0.02 -0.66 0.44 0.37 0.00 0.00 175.52 175.72 3b3b h ASP 712 N 0.08 0.78 -0.20 4.18 3.32 -1.94 -1.48 116.42 121.15 3b3b h ASP 712 Ca 0.02 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 3b3b h ASP 712 Cb -0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3b3b h ASP 712 CO -0.00 1.23 0.07 0.00 -1.72 0.00 0.00 179.24 178.82 3b3b h ALA 713 N 0.77 0.26 -0.27 3.45 0.00 -1.34 -2.41 119.26 119.72 3b3b h ALA 713 Ca -0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3b3b h ALA 713 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3b3b h ALA 713 CO 0.13 -0.14 -0.33 1.25 0.00 0.00 0.00 179.25 180.17 3b3b h LEU 714 N 0.16 0.60 -0.68 0.00 5.85 -0.89 -0.90 115.31 119.45 3b3b h LEU 714 Ca 0.07 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3b3b h LEU 714 Cb 0.19 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3b3b h LEU 714 CO -0.00 0.89 0.42 0.00 -0.34 0.00 0.00 178.44 179.40 3b3b h ALA 715 N 1.15 0.87 -0.01 1.25 0.00 -1.18 0.17 119.26 121.52 3b3b h ALA 715 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3b3b h ALA 715 Cb 0.81 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3b3b h ALA 715 CO 0.07 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3b3b h ALA 716 N 1.22 0.01 -0.55 0.00 0.00 -1.27 -1.53 119.26 117.14 3b3b h ALA 716 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3b3b h ALA 716 Cb -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3b3b h ALA 716 CO -0.05 -0.41 0.35 1.25 0.00 0.00 0.00 179.25 180.39 3b3b h LEU 717 N -0.15 0.64 -0.65 0.00 5.85 -0.85 -0.92 115.31 119.23 3b3b h LEU 717 Ca 0.00 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3b3b h LEU 717 Cb 0.16 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3b3b h LEU 717 CO -0.00 0.48 0.39 -1.28 -0.34 0.00 0.00 178.44 177.69 3b3b h SER 718 N 0.74 0.63 -0.67 1.25 0.87 -0.66 -1.87 113.55 113.85 3b3b h SER 718 Ca 0.20 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 3b3b h SER 718 Cb -0.06 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3b3b h SER 718 CO -0.04 0.43 0.22 0.00 -0.53 0.00 0.00 176.83 176.91 3b3b h ALA 719 N 1.29 1.08 -0.60 6.23 0.00 -0.77 -0.34 119.26 126.15 3b3b h ALA 719 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3b3b h ALA 719 Cb 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3b3b h ALA 719 CO -0.12 0.63 0.34 0.00 0.00 0.00 0.00 179.25 180.10 3b3b h ALA 720 N 1.21 0.76 -0.18 0.00 0.00 -0.82 -0.97 119.26 119.26 3b3b h ALA 720 Ca 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3b3b h ALA 720 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3b3b h ALA 720 CO -0.01 0.26 -0.02 0.28 0.00 0.00 0.00 179.25 179.77 3b3b h VAL 721 N 0.80 1.27 -0.73 0.00 2.07 -1.13 -0.98 116.25 117.55 3b3b h VAL 721 Ca 0.21 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 3b3b h VAL 721 Cb 0.02 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3b3b h VAL 721 CO -0.04 0.28 0.28 0.00 0.02 0.00 0.00 177.57 178.11 3b3b h ALA 722 N 0.76 0.95 -0.26 1.67 0.00 -0.87 -2.41 119.26 119.09 3b3b h ALA 722 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3b3b h ALA 722 Cb 0.42 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3b3b h ALA 722 CO 0.01 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3b3b n ALA 723 N -2.42 2.47 -3.89 0.00 0.00 -0.39 -4.79 120.51 111.50 3b3b n ALA 723 Ca 0.06 -0.77 -0.25 0.00 0.00 0.00 0.00 53.44 52.48 3b3b n ALA 723 Cb 0.19 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 3b3b n ALA 723 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3b3b n GLN 724 N 1.01 -3.86 -2.02 0.00 6.02 -0.68 -4.93 117.38 112.92 3b3b n GLN 724 Ca 0.18 0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 57.32 3b3b n GLN 724 Cb 0.50 -4.79 0.01 0.00 1.02 0.00 0.00 30.24 26.98 3b3b n GLN 724 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3b3b s LEU 725 N -6.91 3.47 0.28 1.08 1.43 -0.46 -4.95 118.68 112.62 3b3b s LEU 725 Ca 0.06 1.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.98 3b3b s LEU 725 Cb -0.03 -4.53 0.65 0.00 0.03 0.00 0.00 46.19 42.30 3b3b s LEU 725 CO 0.87 -1.18 1.70 -0.65 0.23 0.00 0.00 176.35 177.31 3b3b h PRO 726 N 0.36 0.39 0.00 1.29 0.11 -1.91 -1.27 132.00 130.97 3b3b h PRO 726 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3b3b h PRO 726 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3b3b h PRO 726 CO 0.57 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 3b3b h ARG 728 N 0.00 -0.50 -0.86 0.00 2.43 -1.51 -1.20 114.38 112.74 3b3b h ARG 728 Ca 0.00 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3b3b h ARG 728 Cb 0.21 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 3b3b h ARG 728 CO 0.00 -0.34 0.47 -0.44 -1.51 0.00 0.00 179.97 178.16 3b3b h ASP 729 N -0.52 1.07 -0.08 -3.80 3.32 -1.81 -0.66 116.42 113.94 3b3b h ASP 729 Ca 0.06 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3b3b h ASP 729 Cb 0.62 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3b3b h ASP 729 CO -0.33 0.86 0.03 0.00 -1.72 0.00 0.00 179.24 178.07 3b3b h ALA 730 N 1.32 0.10 -0.83 3.45 0.00 -1.75 -1.27 119.26 120.28 3b3b h ALA 730 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3b3b h ALA 730 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3b3b h ALA 730 CO -0.05 -0.32 0.37 -0.07 0.00 0.00 0.00 179.25 179.18 3b3b h LEU 731 N -0.04 1.11 -0.62 0.00 3.38 -0.87 -0.40 115.31 117.88 3b3b h LEU 731 Ca 0.03 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3b3b h LEU 731 Cb 0.17 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3b3b h LEU 731 CO -0.00 0.96 0.02 0.24 0.09 0.00 0.00 178.44 179.75 3b3b h MET 732 N 1.19 1.07 -0.50 1.13 2.86 -1.06 -1.21 114.93 118.42 3b3b h MET 732 Ca 0.28 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 3b3b h MET 732 Cb 0.17 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3b3b h MET 732 CO -0.03 1.03 -0.02 0.37 1.06 0.00 0.00 176.91 179.33 3b3b h GLN 733 N 0.98 0.91 -0.62 1.72 5.75 -0.97 -2.01 115.11 120.87 3b3b h GLN 733 Ca 0.18 -0.30 0.05 0.00 -0.15 0.00 0.00 58.65 58.43 3b3b h GLN 733 Cb 0.53 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.96 3b3b h GLN 733 CO 0.03 0.94 0.35 0.93 -2.65 0.00 0.00 178.83 178.43 3b3b h GLU 734 N 0.77 0.64 -0.11 1.69 5.08 -0.77 -0.06 114.58 121.82 3b3b h GLU 734 Ca 0.14 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3b3b h GLU 734 Cb 0.55 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3b3b h GLU 734 CO 0.03 0.43 0.04 -0.92 -1.00 0.00 0.00 179.01 177.58 3b3b h TYR 735 N 0.66 0.18 -0.05 4.33 3.20 -1.13 -1.36 116.97 122.81 3b3b h TYR 735 Ca 0.27 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.16 3b3b h TYR 735 Cb 0.12 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3b3b h TYR 735 CO -0.08 0.31 -0.31 0.22 -1.64 0.00 0.00 178.16 176.67 3b3b h ASP 736 N 0.00 -0.93 -0.94 -2.11 1.82 -1.13 0.12 116.42 113.25 3b3b h ASP 736 Ca 0.04 0.13 0.08 0.00 -0.39 0.00 0.00 57.03 56.88 3b3b h ASP 736 Cb 0.21 0.38 -0.06 0.00 0.68 0.00 0.00 39.33 40.54 3b3b h ASP 736 CO -0.00 -0.36 0.61 0.44 -1.61 0.00 0.00 179.24 178.31 3b3b h ASP 737 N -0.43 0.92 -0.09 2.28 3.32 -0.92 -0.15 116.42 121.36 3b3b h ASP 737 Ca 0.07 0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.90 3b3b h ASP 737 Cb 0.54 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 39.92 3b3b h ASP 737 CO -0.29 0.57 -0.88 0.50 -1.72 0.00 0.00 179.24 177.42 3b3b h LYS 738 N 1.04 0.75 -0.01 3.56 3.64 -0.87 -3.40 116.57 121.27 3b3b h LYS 738 Ca 0.41 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3b3b h LYS 738 Cb 0.26 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3b3b h LYS 738 CO -0.17 1.28 0.00 0.91 -2.27 0.00 0.00 179.45 179.20 3b3b n TRP 739 N -3.92 0.01 0.03 1.91 7.02 0.39 -4.76 117.44 118.12 3b3b n TRP 739 Ca -0.09 -0.02 0.21 0.00 -1.02 0.00 0.00 57.50 56.59 3b3b n TRP 739 Cb 0.80 -0.00 0.73 0.00 -2.42 0.00 0.00 31.31 30.42 3b3b n TRP 739 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 3b3b h HIS 740 N 0.97 0.00 0.00 -5.99 2.07 -1.21 0.18 115.15 111.17 3b3b h HIS 740 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3b3b h HIS 740 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 3b3b h HIS 740 CO 0.00 0.00 0.00 1.04 -3.07 0.00 0.00 177.93 175.90 3b3b n GLN 741 N -4.00 0.29 -3.70 5.12 1.13 -1.26 -4.57 117.38 110.39 3b3b n GLN 741 Ca 0.09 0.02 -0.38 0.00 -1.94 0.00 0.00 57.00 54.80 3b3b n GLN 741 Cb 0.65 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.40 3b3b n GLN 741 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3b3b s ASN 742 N -2.69 5.41 0.21 1.08 3.84 0.62 -4.98 114.94 118.43 3b3b s ASN 742 Ca 0.23 -1.97 -0.10 0.00 0.21 0.00 0.00 52.86 51.24 3b3b s ASN 742 Cb 0.19 -1.89 0.19 0.00 -0.55 0.00 0.00 41.25 39.18 3b3b s ASN 742 CO 0.45 -0.59 1.87 1.23 -2.79 0.00 0.00 177.10 177.27 3b3b h GLY 743 N 8.20 1.07 1.26 1.21 0.00 -1.82 0.10 103.07 113.08 3b3b h GLY 743 Ca -0.16 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 3b3b h GLY 743 CO 0.75 0.34 0.14 1.41 0.00 0.00 0.00 176.54 179.18 3b3b h LEU 744 N 0.96 0.86 -0.31 3.11 3.38 -1.95 0.16 115.31 121.53 3b3b h LEU 744 Ca 0.29 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 3b3b h LEU 744 Cb -0.04 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3b3b h LEU 744 CO -0.09 0.85 -0.62 0.58 0.09 0.00 0.00 178.44 179.25 3b3b h VAL 745 N 0.88 1.29 0.00 1.22 2.07 -1.72 -3.14 116.25 116.85 3b3b h VAL 745 Ca 0.19 -1.83 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 3b3b h VAL 745 Cb 0.33 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3b3b h VAL 745 CO 0.00 0.58 -0.26 0.24 0.02 0.00 0.00 177.57 178.16 3b3b h MET 746 N 0.58 0.00 -0.99 1.57 2.86 -0.61 -2.52 114.93 115.82 3b3b h MET 746 Ca -0.01 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.78 3b3b h MET 746 Cb 1.22 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 3b3b h MET 746 CO 0.13 0.26 0.62 -0.44 1.06 0.00 0.00 176.91 178.53 3b3b h ASP 747 N 0.00 0.83 -0.79 1.22 3.32 -0.91 0.70 116.42 120.79 3b3b h ASP 747 Ca -0.00 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3b3b h ASP 747 Cb 0.56 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 3b3b h ASP 747 CO 0.03 0.40 0.47 0.11 -1.72 0.00 0.00 179.24 178.53 3b3b h LYS 748 N 0.87 1.08 -0.08 3.56 1.57 -1.56 -1.21 116.57 120.80 3b3b h LYS 748 Ca 0.51 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.95 3b3b h LYS 748 Cb 0.66 -0.23 0.02 0.00 0.08 0.00 0.00 32.23 32.76 3b3b h LYS 748 CO -0.29 0.77 -0.89 2.35 -0.57 0.00 0.00 179.45 180.82 3b3b h TRP 749 N 1.10 1.05 -0.80 -1.35 7.01 -1.23 -1.97 115.95 119.75 3b3b h TRP 749 Ca 0.28 -0.51 -0.03 0.00 2.11 0.00 0.00 58.89 60.74 3b3b h TRP 749 Cb -0.03 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 26.85 3b3b h TRP 749 CO 0.01 1.35 0.37 0.74 -2.79 0.00 0.00 178.44 178.12 3b3b h PHE 750 N 0.45 1.17 -0.53 2.65 0.04 -0.74 -0.34 116.94 119.65 3b3b h PHE 750 Ca -0.09 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 3b3b h PHE 750 Cb 1.53 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 39.29 3b3b h PHE 750 CO 0.10 0.86 0.33 0.82 -0.60 0.00 0.00 178.31 179.82 3b3b h ILE 751 N 1.15 1.15 -0.66 -0.55 2.04 -0.87 0.11 117.51 119.88 3b3b h ILE 751 Ca 0.27 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3b3b h ILE 751 Cb 0.14 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3b3b h ILE 751 CO -0.03 0.15 0.32 -0.07 0.00 0.00 0.00 178.15 178.52 3b3b h LEU 752 N 0.71 0.87 -0.21 1.44 3.38 -0.90 -1.28 115.31 119.33 3b3b h LEU 752 Ca 0.19 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3b3b h LEU 752 Cb -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3b3b h LEU 752 CO -0.04 0.75 0.13 1.56 0.09 0.00 0.00 178.44 180.93 3b3b h GLN 753 N 0.92 0.28 -0.00 1.13 1.08 -0.73 -2.59 115.11 115.20 3b3b h GLN 753 Ca 0.23 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.34 3b3b h GLN 753 Cb 0.11 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3b3b h GLN 753 CO -0.03 0.22 -0.29 0.00 -0.95 0.00 0.00 178.83 177.78 3b3b h ALA 754 N 1.04 1.52 -0.59 3.87 0.00 -0.56 -2.98 119.26 121.56 3b3b h ALA 754 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3b3b h ALA 754 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3b3b h ALA 754 CO -0.01 0.37 0.00 0.25 0.00 0.00 0.00 179.25 179.85 3b3b n THR 755 N -4.19 1.57 -2.16 0.00 -2.24 -0.50 -4.29 114.28 102.47 3b3b n THR 755 Ca -0.02 -1.18 -0.40 0.00 -2.27 0.00 0.00 64.05 60.17 3b3b n THR 755 Cb 0.34 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 3b3b n THR 755 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3b3b s SER 756 N -1.03 6.77 0.00 3.42 0.15 -0.98 -4.91 113.70 117.12 3b3b s SER 756 Ca 0.46 2.62 0.29 0.00 0.70 0.00 0.00 55.95 60.02 3b3b s SER 756 Cb 0.28 -2.64 1.66 0.00 -1.71 0.00 0.00 66.02 63.61 3b3b s SER 756 CO 0.24 -0.53 2.05 -0.81 1.20 0.00 0.00 173.24 175.39 3b3b n PRO 757 N 0.74 0.78 -1.70 5.44 -0.04 -1.26 -4.83 135.00 134.12 3b3b n PRO 757 Ca 0.00 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 3b3b n PRO 757 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 3b3b n PRO 757 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b3b n ALA 758 N -1.08 1.30 -0.02 0.55 0.00 -1.26 -4.88 120.51 115.12 3b3b n ALA 758 Ca 0.20 0.26 0.12 0.00 0.00 0.00 0.00 53.44 54.01 3b3b n ALA 758 Cb 0.13 -2.27 0.53 0.00 0.00 0.00 0.00 19.45 17.85 3b3b n ALA 758 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b3b h ALA 759 N 2.08 2.05 -0.63 0.00 0.00 -2.04 -2.46 119.26 118.26 3b3b h ALA 759 Ca -0.48 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 3b3b h ALA 759 Cb 1.29 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 3b3b h ALA 759 CO 0.60 -0.15 0.19 0.27 0.00 0.00 0.00 179.25 180.16 3b3b n ASN 760 N -4.47 4.65 -0.22 0.00 6.94 -1.26 -4.68 115.26 116.21 3b3b n ASN 760 Ca 0.08 -3.01 0.00 0.00 -0.02 0.00 0.00 54.58 51.63 3b3b n ASN 760 Cb 0.34 -0.71 0.12 0.00 -2.36 0.00 0.00 39.78 37.17 3b3b n ASN 760 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 3b3b h VAL 761 N 2.61 0.84 -0.47 3.53 3.04 -1.76 -2.00 116.25 122.04 3b3b h VAL 761 Ca 0.19 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 3b3b h VAL 761 Cb 2.08 0.26 -0.02 0.00 -2.01 0.00 0.00 31.29 31.60 3b3b h VAL 761 CO 0.61 0.10 0.20 0.25 -1.01 0.00 0.00 177.57 177.72 3b3b h LEU 762 N 0.54 0.64 -0.54 3.16 5.85 -1.87 0.22 115.31 123.31 3b3b h LEU 762 Ca 0.32 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3b3b h LEU 762 Cb 0.34 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 3b3b h LEU 762 CO -0.26 0.62 0.07 -0.08 -0.34 0.00 0.00 178.44 178.44 3b3b h GLU 763 N 0.61 0.19 -0.28 1.25 4.81 -1.84 0.90 114.58 120.21 3b3b h GLU 763 Ca 0.16 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3b3b h GLU 763 Cb 0.17 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3b3b h GLU 763 CO -0.02 0.12 0.11 1.15 -0.73 0.00 0.00 179.01 179.65 3b3b h THR 764 N 0.19 1.18 -0.13 0.32 2.02 -0.77 -1.63 112.91 114.09 3b3b h THR 764 Ca 0.28 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3b3b h THR 764 Cb 0.41 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3b3b h THR 764 CO -0.40 0.19 0.05 0.58 0.37 0.00 0.00 175.52 176.31 3b3b h VAL 765 N 0.30 0.97 -0.62 3.16 2.07 -0.59 -0.87 116.25 120.68 3b3b h VAL 765 Ca 0.09 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.65 3b3b h VAL 765 Cb 0.19 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3b3b h VAL 765 CO -0.01 0.02 0.31 0.03 0.02 0.00 0.00 177.57 177.94 3b3b h ARG 766 N 0.11 0.54 -0.60 1.57 3.08 -0.74 -1.97 114.38 116.38 3b3b h ARG 766 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3b3b h ARG 766 Cb 0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3b3b h ARG 766 CO -0.06 0.36 0.37 0.78 -1.07 0.00 0.00 179.97 180.36 3b3b h GLY 767 N 0.56 0.85 2.00 0.04 0.00 -0.85 -2.32 103.07 103.34 3b3b h GLY 767 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3b3b h GLY 767 CO -0.22 0.32 0.00 1.04 0.00 0.00 0.00 176.54 177.68 3b3b n LEU 768 N -4.43 0.27 0.33 3.11 4.77 -0.37 -1.80 117.00 118.88 3b3b n LEU 768 Ca 0.06 0.57 0.21 0.00 -0.03 0.00 0.00 56.01 56.82 3b3b n LEU 768 Cb 0.06 -0.54 1.16 0.00 -2.33 0.00 0.00 43.42 41.77 3b3b n LEU 768 CO 0.36 -0.41 1.17 -0.07 -1.33 0.00 0.00 177.39 177.11 3b3b h LEU 769 N 0.00 0.00 -2.23 2.23 3.38 -1.31 -1.34 115.31 116.03 3b3b h LEU 769 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3b3b h LEU 769 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3b3b h LEU 769 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3b3b n GLN 770 N -3.22 2.48 -2.10 1.13 1.13 -0.75 -4.85 117.38 111.21 3b3b n GLN 770 Ca -0.03 -2.21 -0.39 0.00 -1.94 0.00 0.00 57.00 52.43 3b3b n GLN 770 Cb 0.08 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.92 3b3b n GLN 770 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3b3b s HIS 771 N -1.62 2.87 0.55 1.08 2.46 -0.51 -4.89 115.29 115.23 3b3b s HIS 771 Ca 0.36 1.44 0.31 0.00 0.47 0.00 0.00 55.06 57.64 3b3b s HIS 771 Cb 0.22 -3.62 1.47 0.00 -0.13 0.00 0.00 32.58 30.52 3b3b s HIS 771 CO 0.31 -1.95 1.89 0.07 -2.47 0.00 0.00 174.74 172.60 3b3b h ARG 772 N 2.71 0.00 -0.02 2.88 0.11 -1.95 -1.13 114.38 117.00 3b3b h ARG 772 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3b3b h ARG 772 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3b3b h ARG 772 CO 0.63 0.00 -0.37 0.43 0.10 0.00 0.00 179.97 180.75 3b3b n SER 773 N -4.14 1.91 -4.88 0.08 7.64 -1.26 -4.94 113.62 108.03 3b3b n SER 773 Ca 0.16 -1.44 -0.35 0.00 1.01 0.00 0.00 58.87 58.25 3b3b n SER 773 Cb 0.90 0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 64.39 3b3b n SER 773 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3b3b s PHE 774 N -2.42 3.59 -0.17 1.43 5.36 -0.43 -4.93 117.98 120.41 3b3b s PHE 774 Ca 0.21 0.56 -0.15 0.00 -0.96 0.00 0.00 56.93 56.60 3b3b s PHE 774 Cb 0.19 -1.98 0.05 0.00 -0.34 0.00 0.00 43.02 40.94 3b3b s PHE 774 CO 0.53 0.64 0.44 -0.08 -1.46 0.00 0.00 175.22 175.29 3b3b s THR 775 N -1.24 -0.00 -0.74 0.12 -1.32 -1.26 -4.76 115.64 106.44 3b3b s THR 775 Ca 0.25 0.01 0.17 0.00 -1.21 0.00 0.00 61.69 60.91 3b3b s THR 775 Cb -0.13 -0.63 0.17 0.00 -1.51 0.00 0.00 72.50 70.40 3b3b s THR 775 CO 0.14 0.01 1.53 0.23 -2.21 0.00 0.00 174.62 174.32 3b3b n MET 776 N 3.05 0.09 0.00 7.08 2.81 -1.26 -2.53 117.12 126.35 3b3b n MET 776 Ca -0.15 0.37 0.14 0.00 -1.81 0.00 0.00 57.70 56.26 3b3b n MET 776 Cb 0.57 -1.68 0.69 0.00 -0.71 0.00 0.00 33.22 32.08 3b3b n MET 776 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3b3b n SER 777 N -1.84 0.10 -4.08 7.83 3.41 -1.26 -4.75 113.62 113.03 3b3b n SER 777 Ca 0.02 -0.08 -0.32 0.00 -0.26 0.00 0.00 58.87 58.23 3b3b n SER 777 Cb 0.17 -0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 63.69 3b3b n SER 777 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3b3b s ASN 778 N -2.66 3.88 0.36 4.04 3.84 -1.05 -5.01 114.94 118.33 3b3b s ASN 778 Ca 0.25 -1.09 0.10 0.00 0.21 0.00 0.00 52.86 52.33 3b3b s ASN 778 Cb 0.20 -1.49 0.85 0.00 -0.55 0.00 0.00 41.25 40.26 3b3b s ASN 778 CO 0.49 -0.12 1.86 -0.65 -2.79 0.00 0.00 177.10 175.89 3b3b h PRO 779 N 7.85 0.64 -0.43 0.43 0.11 -1.85 -1.50 132.00 137.25 3b3b h PRO 779 Ca -0.29 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 3b3b h PRO 779 Cb 1.08 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3b3b h PRO 779 CO 0.52 0.42 0.14 -0.91 -0.21 0.00 0.00 178.00 177.97 3b3b h ASN 780 N 0.66 0.61 -0.51 -2.05 2.35 -1.86 -0.19 115.58 114.59 3b3b h ASN 780 Ca 0.46 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 3b3b h ASN 780 Cb 0.80 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 3b3b h ASN 780 CO -0.22 0.65 0.20 0.03 -1.65 0.00 0.00 177.43 176.44 3b3b h ARG 781 N 0.55 0.77 -0.43 0.81 2.47 -1.61 -1.36 114.38 115.58 3b3b h ARG 781 Ca 0.14 -0.14 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3b3b h ARG 781 Cb 0.25 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 3b3b h ARG 781 CO -0.01 0.69 0.27 0.82 0.56 0.00 0.00 179.97 182.30 3b3b h ILE 782 N 0.69 1.07 -0.18 2.04 2.04 -1.07 -1.59 117.51 120.52 3b3b h ILE 782 Ca 0.17 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 3b3b h ILE 782 Cb 0.21 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3b3b h ILE 782 CO -0.01 0.10 -0.42 0.03 0.00 0.00 0.00 178.15 177.85 3b3b h ARG 783 N 0.54 0.41 0.00 2.37 3.08 -0.85 -0.10 114.38 119.83 3b3b h ARG 783 Ca 0.17 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 3b3b h ARG 783 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3b3b h ARG 783 CO -0.06 0.76 -0.62 0.66 -1.07 0.00 0.00 179.97 179.64 3b3b h SER 784 N 0.34 0.00 0.00 7.04 4.64 -0.87 -0.99 113.55 123.71 3b3b h SER 784 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3b3b h SER 784 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3b3b h SER 784 CO 0.07 0.62 -0.81 -0.11 -0.87 0.00 0.00 176.83 175.73 3b3b n LEU 785 N -3.43 1.60 -0.05 5.97 7.94 -0.63 -2.42 117.00 125.99 3b3b n LEU 785 Ca 0.00 0.27 -0.14 0.00 -1.11 0.00 0.00 56.01 55.03 3b3b n LEU 785 Cb 0.71 -0.69 -0.12 0.00 0.53 0.00 0.00 43.42 43.85 3b3b n LEU 785 CO 0.41 -0.32 0.45 0.40 -1.11 0.00 0.00 177.39 177.22 3b3b h ILE 786 N -0.81 1.65 -0.79 1.96 2.04 -1.24 -2.79 117.51 117.53 3b3b h ILE 786 Ca 0.00 -1.98 0.02 0.00 1.00 0.00 0.00 64.86 63.91 3b3b h ILE 786 Cb 0.81 2.98 -0.04 0.00 -0.74 0.00 0.00 36.82 39.83 3b3b h ILE 786 CO 0.00 0.52 0.51 1.23 0.00 0.00 0.00 178.15 180.41 3b3b h GLY 787 N -0.78 1.13 1.22 5.37 0.00 -1.18 -2.01 103.07 106.82 3b3b h GLY 787 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3b3b h GLY 787 CO 0.01 0.36 0.02 0.00 0.00 0.00 0.00 176.54 176.93 3b3b h ALA 788 N 1.32 0.98 0.58 3.60 0.00 -1.27 0.40 119.26 124.86 3b3b h ALA 788 Ca 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3b3b h ALA 788 Cb -0.04 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.54 3b3b h ALA 788 CO -0.09 0.63 -0.28 0.35 0.00 0.00 0.00 179.25 179.85 3b3b h PHE 789 N 0.88 -0.73 -0.47 0.00 3.57 -1.16 0.64 116.94 119.68 3b3b h PHE 789 Ca 0.17 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 3b3b h PHE 789 Cb 0.49 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3b3b h PHE 789 CO 0.03 -0.43 -0.22 0.00 -2.23 0.00 0.00 178.31 175.46 3b3b h ALA 790 N -0.44 0.73 0.01 2.41 0.00 -1.28 -2.18 119.26 118.51 3b3b h ALA 790 Ca -0.08 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 3b3b h ALA 790 Cb 0.62 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3b3b h ALA 790 CO 0.13 0.67 -1.91 0.41 0.00 0.00 0.00 179.25 178.55 3b3b n GLY 791 N -0.14 -0.93 0.22 0.00 0.00 0.12 -4.51 105.19 99.95 3b3b n GLY 791 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.92 3b3b n GLY 791 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3b3b n SER 792 N -3.04 1.39 -2.91 1.61 7.64 0.18 -4.57 113.62 113.92 3b3b n SER 792 Ca -0.23 -1.20 -0.26 0.00 1.01 0.00 0.00 58.87 58.20 3b3b n SER 792 Cb 1.07 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 64.32 3b3b n SER 792 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3b3b n ASN 793 N 0.22 4.03 0.00 6.43 2.85 -0.82 -4.87 115.26 123.10 3b3b n ASN 793 Ca 0.03 -3.59 0.14 0.00 -0.11 0.00 0.00 54.58 51.05 3b3b n ASN 793 Cb 0.14 -0.56 0.58 0.00 1.24 0.00 0.00 39.78 41.19 3b3b n ASN 793 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3b3b h PRO 794 N 2.94 0.21 -0.81 1.20 0.13 -1.79 0.14 132.00 134.01 3b3b h PRO 794 Ca 0.14 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.30 3b3b h PRO 794 Cb 0.62 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.65 3b3b h PRO 794 CO 0.78 0.14 0.51 0.00 -0.23 0.00 0.00 178.00 179.20 3b3b h ALA 795 N 1.76 1.08 0.23 -0.56 0.00 -1.93 0.19 119.26 120.03 3b3b h ALA 795 Ca 0.22 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.79 3b3b h ALA 795 Cb 0.60 -0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.16 3b3b h ALA 795 CO -0.04 0.31 -1.43 0.00 0.00 0.00 0.00 179.25 178.09 3b3b h ALA 796 N 1.35 -0.10 -0.79 0.00 0.00 -1.65 -2.99 119.26 115.08 3b3b h ALA 796 Ca 0.33 -0.89 0.04 0.00 0.00 0.00 0.00 54.91 54.40 3b3b h ALA 796 Cb 0.05 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3b3b h ALA 796 CO -0.13 0.70 0.52 0.35 0.00 0.00 0.00 179.25 180.69 3b3b h PHE 797 N 0.06 0.92 -0.81 0.00 3.57 -0.61 -1.73 116.94 118.34 3b3b h PHE 797 Ca -0.26 0.02 -0.34 0.00 3.53 0.00 0.00 57.97 60.92 3b3b h PHE 797 Cb 2.08 -0.31 -0.20 0.00 2.79 0.00 0.00 35.95 40.31 3b3b h PHE 797 CO 0.14 0.53 0.43 0.72 -2.23 0.00 0.00 178.31 177.90 3b3b n HIS 798 N -4.46 2.58 -1.53 0.41 8.25 0.66 -3.78 115.22 117.35 3b3b n HIS 798 Ca 0.10 -1.43 -0.46 0.00 -0.26 0.00 0.00 57.72 55.67 3b3b n HIS 798 Cb 0.13 -0.78 -0.02 0.00 1.12 0.00 0.00 29.99 30.44 3b3b n HIS 798 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b3b n ALA 799 N -0.56 -1.16 0.27 -1.41 0.00 -0.65 -4.84 120.51 112.16 3b3b n ALA 799 Ca 0.47 0.41 0.15 0.00 0.00 0.00 0.00 53.44 54.47 3b3b n ALA 799 Cb 1.46 -1.89 0.76 0.00 0.00 0.00 0.00 19.45 19.78 3b3b n ALA 799 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3b3b h GLU 800 N 1.79 0.00 0.00 0.00 5.08 -1.91 -1.69 114.58 117.85 3b3b h GLU 800 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3b3b h GLU 800 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3b3b h GLU 800 CO 0.60 0.09 0.00 -0.40 -1.00 0.00 0.00 179.01 178.31 3b3b n ASP 801 N -3.46 0.00 0.00 1.42 5.68 -1.26 -4.89 116.55 114.04 3b3b n ASP 801 Ca -0.01 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.84 3b3b n ASP 801 Cb 0.24 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 3b3b n ASP 801 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3b3b n GLY 802 N 0.77 0.57 0.28 6.12 0.00 -0.64 -4.92 105.19 107.38 3b3b n GLY 802 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3b3b n GLY 802 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3b3b h SER 803 N 0.00 0.24 -0.50 1.61 4.64 -1.89 -2.19 113.55 115.46 3b3b h SER 803 Ca 0.00 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3b3b h SER 803 Cb 0.11 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3b3b h SER 803 CO 0.00 0.22 0.00 1.23 -0.87 0.00 0.00 176.83 177.42 3b3b h GLY 804 N 0.39 0.96 1.03 -0.77 0.00 -1.77 -1.66 103.07 101.25 3b3b h GLY 804 Ca 0.07 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 3b3b h GLY 804 CO -0.01 0.65 0.06 -0.97 0.00 0.00 0.00 176.54 176.27 3b3b h TYR 805 N 0.75 1.03 -0.75 5.60 0.05 -1.53 -1.84 116.97 120.29 3b3b h TYR 805 Ca 0.14 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 3b3b h TYR 805 Cb 0.51 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3b3b h TYR 805 CO 0.04 0.91 0.28 -0.07 -1.05 0.00 0.00 178.16 178.27 3b3b h LEU 806 N 0.85 1.06 -0.28 3.88 3.38 -1.30 -0.54 115.31 122.36 3b3b h LEU 806 Ca 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3b3b h LEU 806 Cb 0.46 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3b3b h LEU 806 CO 0.02 0.96 0.17 0.15 0.09 0.00 0.00 178.44 179.83 3b3b h PHE 807 N 1.10 0.37 -0.70 1.13 3.57 -1.13 -2.15 116.94 119.12 3b3b h PHE 807 Ca 0.25 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3b3b h PHE 807 Cb 0.25 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3b3b h PHE 807 CO 0.02 0.26 0.15 1.25 -2.23 0.00 0.00 178.31 177.77 3b3b h LEU 808 N 0.36 1.08 -0.51 0.59 5.85 -0.95 -1.70 115.31 120.04 3b3b h LEU 808 Ca 0.10 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3b3b h LEU 808 Cb -0.00 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 3b3b h LEU 808 CO -0.02 1.05 0.24 0.58 -0.34 0.00 0.00 178.44 179.94 3b3b h VAL 809 N 1.07 0.92 -0.36 1.05 2.07 -0.94 0.16 116.25 120.21 3b3b h VAL 809 Ca 0.22 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.63 3b3b h VAL 809 Cb 0.40 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3b3b h VAL 809 CO 0.01 0.08 0.11 -0.08 0.02 0.00 0.00 177.57 177.71 3b3b h GLU 810 N 0.46 0.25 -0.54 1.57 4.81 -0.99 0.21 114.58 120.34 3b3b h GLU 810 Ca 0.23 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 3b3b h GLU 810 Cb 0.18 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3b3b h GLU 810 CO -0.18 0.16 0.07 0.52 -0.73 0.00 0.00 179.01 178.85 3b3b h MET 811 N 0.25 0.91 0.00 1.92 2.86 -0.63 -2.89 114.93 117.36 3b3b h MET 811 Ca 0.17 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 3b3b h MET 811 Cb 0.16 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3b3b h MET 811 CO -0.19 0.89 -0.37 -0.07 1.06 0.00 0.00 176.91 178.24 3b3b h LEU 812 N 0.80 0.00 -0.82 1.22 3.38 -0.46 -0.73 115.31 118.69 3b3b h LEU 812 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3b3b h LEU 812 Cb 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3b3b h LEU 812 CO 0.01 0.37 0.41 0.74 0.09 0.00 0.00 178.44 180.06 3b3b h THR 813 N 0.00 1.25 0.32 0.22 2.02 -0.75 0.11 112.91 116.09 3b3b h THR 813 Ca -0.00 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 3b3b h THR 813 Cb 0.82 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3b3b h THR 813 CO 0.05 0.30 -0.15 -0.78 0.37 0.00 0.00 175.52 175.30 3b3b h ASP 814 N 1.16 -0.36 0.50 4.18 1.82 -1.37 -3.35 116.42 118.99 3b3b h ASP 814 Ca 0.28 -0.17 -0.06 0.00 -0.39 0.00 0.00 57.03 56.69 3b3b h ASP 814 Cb 0.10 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 3b3b h ASP 814 CO -0.04 0.02 -0.28 -0.07 -1.61 0.00 0.00 179.24 177.27 3b3b h LEU 815 N -0.81 0.00 -1.28 2.28 3.38 -0.97 -1.66 115.31 116.25 3b3b h LEU 815 Ca -0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.05 3b3b h LEU 815 Cb 0.52 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3b3b h LEU 815 CO 0.07 0.28 0.56 -1.13 0.09 0.00 0.00 178.44 178.31 3b3b h ASN 816 N 0.00 0.68 0.17 -0.43 -1.24 -0.91 0.14 115.58 113.99 3b3b h ASN 816 Ca -0.00 0.03 -0.35 0.00 0.71 0.00 0.00 56.30 56.69 3b3b h ASN 816 Cb 0.60 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.55 3b3b h ASN 816 CO 0.04 0.37 -1.82 0.28 -1.29 0.00 0.00 177.43 175.01 3b3b h SER 817 N 0.73 0.55 -0.00 1.15 0.02 -1.48 -3.38 113.55 111.14 3b3b h SER 817 Ca 0.43 -0.94 -0.05 0.00 -0.84 0.00 0.00 61.79 60.38 3b3b h SER 817 Cb 0.62 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3b3b h SER 817 CO -0.19 1.81 -0.20 -0.09 -1.14 0.00 0.00 176.83 177.02 3b3b h ARG 818 N 0.08 0.13 -1.10 3.45 2.43 -1.06 -3.44 114.38 114.86 3b3b h ARG 818 Ca -0.37 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 58.48 3b3b h ARG 818 Cb 2.07 0.04 -0.18 0.00 -0.42 0.00 0.00 29.97 31.48 3b3b h ARG 818 CO 0.15 0.89 -0.52 1.21 -1.51 0.00 0.00 179.97 180.19 3b3b s ASN 819 N -6.25 -1.23 0.42 -3.80 3.84 0.45 -2.85 114.94 105.52 3b3b s ASN 819 Ca -0.16 -1.77 0.12 0.00 0.21 0.00 0.00 52.86 51.26 3b3b s ASN 819 Cb 0.00 1.73 0.98 0.00 -0.55 0.00 0.00 41.25 43.42 3b3b s ASN 819 CO 0.73 -0.07 1.99 -0.65 -2.79 0.00 0.00 177.10 176.31 3b3b h PRO 820 N 5.19 0.44 -0.41 0.43 0.11 -1.70 -1.12 132.00 134.95 3b3b h PRO 820 Ca 0.07 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3b3b h PRO 820 Cb 1.10 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3b3b h PRO 820 CO 0.04 0.29 0.23 0.37 -0.21 0.00 0.00 178.00 178.73 3b3b h GLN 821 N 0.46 0.56 -0.29 1.05 4.15 -1.88 0.49 115.11 119.65 3b3b h GLN 821 Ca 0.26 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.47 3b3b h GLN 821 Cb 0.44 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3b3b h GLN 821 CO -0.07 0.44 -0.42 0.28 -1.93 0.00 0.00 178.83 177.12 3b3b h VAL 822 N 0.53 1.29 -0.59 2.39 2.07 -1.78 -2.05 116.25 118.12 3b3b h VAL 822 Ca 0.15 -1.61 0.07 0.00 0.82 0.00 0.00 66.70 66.13 3b3b h VAL 822 Cb 0.03 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 3b3b h VAL 822 CO -0.02 0.52 0.28 0.00 0.02 0.00 0.00 177.57 178.37 3b3b h ALA 823 N 0.94 0.77 -0.09 1.67 0.00 -0.88 -1.53 119.26 120.14 3b3b h ALA 823 Ca 0.04 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3b3b h ALA 823 Cb 0.97 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3b3b h ALA 823 CO 0.09 -0.08 -0.54 1.03 0.00 0.00 0.00 179.25 179.74 3b3b h SER 824 N 0.52 0.29 -0.47 0.00 0.87 -0.70 -0.76 113.55 113.30 3b3b h SER 824 Ca 0.28 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3b3b h SER 824 Cb 0.24 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3b3b h SER 824 CO -0.21 0.77 0.31 0.03 -0.53 0.00 0.00 176.83 177.20 3b3b h ARG 825 N 0.20 0.61 0.00 2.24 3.08 -0.97 -3.21 114.38 116.34 3b3b h ARG 825 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3b3b h ARG 825 Cb 1.02 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3b3b h ARG 825 CO 0.09 0.41 0.00 -0.07 -1.07 0.00 0.00 179.97 179.32 3b3b h LEU 826 N 0.63 0.00 -0.14 3.04 4.07 -0.59 -3.11 115.31 119.21 3b3b h LEU 826 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3b3b h LEU 826 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 3b3b h LEU 826 CO -0.04 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.32 3b3b n ILE 827 N -2.95 0.57 -0.23 1.22 3.06 -0.36 -4.20 119.36 116.48 3b3b n ILE 827 Ca 0.03 -0.13 0.03 0.00 -2.50 0.00 0.00 62.75 60.18 3b3b n ILE 827 Cb 0.44 -0.70 0.15 0.00 0.54 0.00 0.00 39.64 40.07 3b3b n ILE 827 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 3b3b h GLU 828 N 0.00 0.33 -0.14 9.51 4.57 -1.65 -0.29 114.58 126.91 3b3b h GLU 828 Ca 0.00 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3b3b h GLU 828 Cb 0.62 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3b3b h GLU 828 CO 0.00 0.22 0.14 -1.35 -1.18 0.00 0.00 179.01 176.84 3b3b h PRO 829 N 0.34 0.00 0.00 0.92 0.11 -1.85 -2.01 132.00 129.51 3b3b h PRO 829 Ca 0.37 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.31 3b3b h PRO 829 Cb 0.56 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 3b3b h PRO 829 CO -0.41 0.00 -0.79 1.25 -0.21 0.00 0.00 178.00 177.83 3b3b h LEU 830 N 0.00 0.00 -0.01 2.35 5.85 -1.34 -3.21 115.31 118.95 3b3b h LEU 830 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3b3b h LEU 830 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3b3b h LEU 830 CO -0.00 0.79 -0.00 2.30 -0.34 0.00 0.00 178.44 181.19 3b3b n ILE 831 N -3.35 0.00 0.88 4.05 -5.35 -0.76 -3.15 119.36 111.68 3b3b n ILE 831 Ca 0.00 -0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.51 3b3b n ILE 831 Cb 0.84 -0.49 0.11 0.00 -1.74 0.00 0.00 39.64 38.36 3b3b n ILE 831 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3b3b n ARG 832 N -1.09 1.82 -0.15 6.28 5.12 -1.21 -4.51 116.66 122.92 3b3b n ARG 832 Ca 0.21 -0.85 0.15 0.00 -1.93 0.00 0.00 57.85 55.42 3b3b n ARG 832 Cb 0.16 -1.44 0.50 0.00 -1.16 0.00 0.00 32.46 30.52 3b3b n ARG 832 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 3b3b h LEU 833 N 1.22 0.39 -0.20 0.55 -0.00 -1.79 -1.12 115.31 114.36 3b3b h LEU 833 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 3b3b h LEU 833 Cb 0.61 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 3b3b h LEU 833 CO 0.07 0.21 0.00 0.29 -0.00 0.00 0.00 178.44 179.01 3b3b n LYS 834 N -4.48 0.05 0.00 0.17 5.02 -1.26 -1.52 118.16 116.14 3b3b n LYS 834 Ca 0.13 0.34 0.14 0.00 -2.02 0.00 0.00 58.31 56.91 3b3b n LYS 834 Cb 0.49 -1.60 0.68 0.00 -0.02 0.00 0.00 35.03 34.58 3b3b n LYS 834 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3b3b n ARG 835 N -1.68 0.61 -4.04 1.97 5.12 -0.42 -4.93 116.66 113.28 3b3b n ARG 835 Ca 0.03 -0.14 -0.24 0.00 -1.93 0.00 0.00 57.85 55.57 3b3b n ARG 835 Cb 0.15 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 29.89 3b3b n ARG 835 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3b3b s TYR 836 N -2.49 2.64 0.88 -1.55 2.02 -0.58 0.08 117.35 118.36 3b3b s TYR 836 Ca 0.30 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.35 3b3b s TYR 836 Cb 0.20 -1.94 0.12 0.00 -0.40 0.00 0.00 41.96 39.95 3b3b s TYR 836 CO 0.47 0.17 1.11 0.16 -1.57 0.00 0.00 175.55 175.88 3b3b s ASP 837 N -3.93 3.40 0.24 2.29 -4.77 -1.26 -4.63 116.67 108.01 3b3b s ASP 837 Ca 0.42 1.87 -0.04 0.00 -3.30 0.00 0.00 52.55 51.49 3b3b s ASP 837 Cb 0.02 -2.45 0.44 0.00 -1.09 0.00 0.00 42.92 39.84 3b3b s ASP 837 CO 0.23 -2.74 1.74 0.00 0.70 0.00 0.00 175.17 175.10 3b3b h ALA 838 N -1.62 1.06 -0.46 2.11 0.00 -1.99 0.40 119.26 118.77 3b3b h ALA 838 Ca -0.46 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 3b3b h ALA 838 Cb 1.26 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3b3b h ALA 838 CO 0.48 -0.17 0.05 -0.22 0.00 0.00 0.00 179.25 179.39 3b3b h LYS 839 N 0.48 0.78 -0.34 0.00 3.64 -2.00 -1.35 116.57 117.77 3b3b h LYS 839 Ca 0.41 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3b3b h LYS 839 Cb 0.58 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3b3b h LYS 839 CO -0.38 0.81 -0.02 0.00 -2.27 0.00 0.00 179.45 177.59 3b3b h ARG 840 N 0.63 0.62 -0.67 1.90 3.08 -1.76 -2.92 114.38 115.28 3b3b h ARG 840 Ca 0.14 -0.21 0.12 0.00 0.07 0.00 0.00 59.98 60.10 3b3b h ARG 840 Cb 0.42 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.34 3b3b h ARG 840 CO 0.01 0.76 0.22 1.96 -1.07 0.00 0.00 179.97 181.85 3b3b h GLN 841 N 0.43 0.36 -0.22 0.04 4.20 -0.75 -0.37 115.11 118.80 3b3b h GLN 841 Ca 0.09 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.84 3b3b h GLN 841 Cb 0.49 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 3b3b h GLN 841 CO 0.02 0.24 -0.19 0.93 -0.67 0.00 0.00 178.83 179.16 3b3b h GLU 842 N 0.37 -0.19 -0.51 1.46 5.08 -1.18 0.11 114.58 119.72 3b3b h GLU 842 Ca 0.35 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.63 3b3b h GLU 842 Cb 0.51 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3b3b h GLU 842 CO -0.38 -0.13 -0.07 0.87 -1.00 0.00 0.00 179.01 178.30 3b3b h LYS 843 N -0.20 0.92 -0.32 2.33 1.57 -1.24 -1.49 116.57 118.14 3b3b h LYS 843 Ca 0.13 -0.30 -0.16 0.00 -1.87 0.00 0.00 60.65 58.45 3b3b h LYS 843 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3b3b h LYS 843 CO -0.34 0.95 -0.43 0.52 -0.57 0.00 0.00 179.45 179.58 3b3b h MET 844 N 0.83 0.82 -0.48 3.15 2.86 -0.83 -1.43 114.93 119.84 3b3b h MET 844 Ca 0.14 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3b3b h MET 844 Cb 0.59 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3b3b h MET 844 CO 0.04 1.08 0.31 -0.09 1.06 0.00 0.00 176.91 179.31 3b3b h ARG 845 N 0.66 0.64 -0.84 1.72 2.43 -0.70 -1.02 114.38 117.27 3b3b h ARG 845 Ca 0.04 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3b3b h ARG 845 Cb 1.01 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 3b3b h ARG 845 CO 0.10 0.44 0.55 0.00 -1.51 0.00 0.00 179.97 179.55 3b3b h ALA 846 N 1.16 1.09 -0.25 2.80 0.00 -1.01 0.07 119.26 123.13 3b3b h ALA 846 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3b3b h ALA 846 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3b3b h ALA 846 CO -0.04 0.42 0.13 0.00 0.00 0.00 0.00 179.25 179.77 3b3b h ALA 847 N 1.33 0.32 -0.70 0.00 0.00 -0.95 -1.38 119.26 117.88 3b3b h ALA 847 Ca 0.32 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3b3b h ALA 847 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3b3b h ALA 847 CO -0.09 -0.14 0.21 -0.07 0.00 0.00 0.00 179.25 179.15 3b3b h LEU 848 N 0.29 1.01 -0.94 0.00 3.38 -0.84 -2.01 115.31 116.20 3b3b h LEU 848 Ca 0.09 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3b3b h LEU 848 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3b3b h LEU 848 CO -0.01 0.95 0.12 -0.33 0.09 0.00 0.00 178.44 179.25 3b3b h GLU 849 N 1.04 0.89 -0.25 1.13 4.39 -0.83 0.11 114.58 121.07 3b3b h GLU 849 Ca 0.23 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3b3b h GLU 849 Cb 0.30 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3b3b h GLU 849 CO -0.01 0.81 0.13 0.37 -1.16 0.00 0.00 179.01 179.16 3b3b h GLN 850 N 0.85 0.27 -0.63 2.33 5.75 -0.83 -2.70 115.11 120.16 3b3b h GLN 850 Ca 0.18 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.58 3b3b h GLN 850 Cb 0.34 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3b3b h GLN 850 CO 0.00 0.18 0.06 -0.07 -2.65 0.00 0.00 178.83 176.35 3b3b h LEU 851 N 0.28 1.02 -2.01 -2.39 3.38 -1.02 -2.57 115.31 111.99 3b3b h LEU 851 Ca 0.10 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3b3b h LEU 851 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3b3b h LEU 851 CO -0.06 1.04 0.13 0.50 0.09 0.00 0.00 178.44 180.14 3b3b h LYS 852 N 0.98 0.00 -0.06 1.13 3.64 -0.60 -1.63 116.57 120.03 3b3b h LYS 852 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3b3b h LYS 852 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3b3b h LYS 852 CO 0.02 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.61 3b3b n GLY 853 N -1.57 -0.27 3.77 5.01 0.00 -0.97 -4.93 105.19 106.23 3b3b n GLY 853 Ca 0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3b3b n GLY 853 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3b s LEU 854 N -1.80 4.35 0.32 0.99 1.43 -0.62 -4.94 118.68 118.41 3b3b s LEU 854 Ca 0.36 2.94 -0.29 0.00 -1.03 0.00 0.00 54.13 56.11 3b3b s LEU 854 Cb 0.19 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.64 3b3b s LEU 854 CO 0.30 -0.82 1.53 -0.70 0.23 0.00 0.00 176.35 176.89 3b3b s GLU 855 N -1.47 4.14 -1.25 1.70 2.12 -1.26 -3.28 118.70 119.41 3b3b s GLU 855 Ca 0.56 2.53 -0.02 0.00 0.36 0.00 0.00 54.97 58.40 3b3b s GLU 855 Cb -0.45 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 30.92 3b3b s GLU 855 CO 0.56 -0.56 0.98 0.09 -0.54 0.00 0.00 175.26 175.79 3b3b n ASN 856 N 1.56 -2.55 -4.69 -1.70 5.03 -1.26 -4.91 115.26 106.73 3b3b n ASN 856 Ca 0.05 -0.64 -0.42 0.00 0.87 0.00 0.00 54.58 54.44 3b3b n ASN 856 Cb 0.38 -4.92 -0.03 0.00 -1.02 0.00 0.00 39.78 34.19 3b3b n ASN 856 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3b3b s LEU 857 N -6.56 4.36 0.58 3.41 2.96 -1.20 -4.83 118.68 117.40 3b3b s LEU 857 Ca 0.10 2.48 -0.19 0.00 -0.22 0.00 0.00 54.13 56.29 3b3b s LEU 857 Cb -0.04 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 3b3b s LEU 857 CO 0.74 -0.86 1.18 -0.94 -1.32 0.00 0.00 176.35 175.16 3b3b s SER 858 N 2.13 5.37 0.33 3.68 1.04 -1.26 -4.86 113.70 120.13 3b3b s SER 858 Ca 0.72 2.32 0.05 0.00 0.48 0.00 0.00 55.95 59.53 3b3b s SER 858 Cb -0.40 -2.59 0.69 0.00 0.10 0.00 0.00 66.02 63.82 3b3b s SER 858 CO 0.32 -1.47 1.88 1.23 0.98 0.00 0.00 173.24 176.18 3b3b h GLY 859 N 1.00 1.31 0.63 7.32 0.00 -1.97 -0.17 103.07 111.20 3b3b h GLY 859 Ca -0.50 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 46.50 3b3b h GLY 859 CO 0.56 0.16 -0.09 -0.55 0.00 0.00 0.00 176.54 176.62 3b3b h ASP 860 N 0.84 -0.29 0.24 0.19 3.32 -1.91 -1.54 116.42 117.28 3b3b h ASP 860 Ca 0.44 0.06 -0.24 0.00 0.02 0.00 0.00 57.03 57.31 3b3b h ASP 860 Cb 0.51 0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.22 3b3b h ASP 860 CO -0.20 -0.12 -0.96 -0.07 -1.72 0.00 0.00 179.24 176.16 3b3b h LEU 861 N -0.11 0.64 -0.44 1.55 3.38 -1.79 -3.28 115.31 115.26 3b3b h LEU 861 Ca 0.07 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.62 3b3b h LEU 861 Cb 0.21 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3b3b h LEU 861 CO -0.17 1.31 0.01 0.22 0.09 0.00 0.00 178.44 179.90 3b3b h TYR 862 N 0.28 -0.01 -0.34 1.13 3.20 -0.73 0.10 116.97 120.61 3b3b h TYR 862 Ca -0.09 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.85 3b3b h TYR 862 Cb 1.60 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.91 3b3b h TYR 862 CO 0.07 -0.08 0.12 1.49 -1.64 0.00 0.00 178.16 178.12 3b3b h GLU 863 N 0.12 0.27 -0.28 1.82 4.81 -1.35 -1.10 114.58 118.87 3b3b h GLU 863 Ca 0.22 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 3b3b h GLU 863 Cb 0.31 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3b3b h GLU 863 CO -0.35 0.18 -0.40 0.87 -0.73 0.00 0.00 179.01 178.57 3b3b h LYS 864 N 0.27 0.77 -0.27 1.92 1.57 -1.51 -2.89 116.57 116.43 3b3b h LYS 864 Ca 0.15 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 3b3b h LYS 864 Cb 0.11 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3b3b h LYS 864 CO -0.15 1.08 0.06 0.82 -0.57 0.00 0.00 179.45 180.70 3b3b h ILE 865 N 0.52 1.22 -0.37 1.86 2.04 -0.66 -0.82 117.51 121.29 3b3b h ILE 865 Ca 0.03 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.24 3b3b h ILE 865 Cb 1.00 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3b3b h ILE 865 CO 0.09 0.23 0.06 0.74 0.00 0.00 0.00 178.15 179.27 3b3b h THR 866 N 0.27 0.79 -0.61 -0.27 2.02 -1.26 -0.52 112.91 113.33 3b3b h THR 866 Ca 0.09 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 3b3b h THR 866 Cb 0.29 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3b3b h THR 866 CO 0.00 0.03 0.16 0.11 0.37 0.00 0.00 175.52 176.19 3b3b h LYS 867 N 0.17 0.98 -0.50 6.66 1.57 -1.37 -2.52 116.57 121.55 3b3b h LYS 867 Ca 0.18 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3b3b h LYS 867 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3b3b h LYS 867 CO -0.25 0.88 0.04 0.00 -0.57 0.00 0.00 179.45 179.56 3b3b h ALA 868 N 1.05 1.13 -0.00 3.86 0.00 -0.62 -3.06 119.26 121.61 3b3b h ALA 868 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3b3b h ALA 868 Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3b3b h ALA 868 CO -0.00 0.57 -0.30 1.28 0.00 0.00 0.00 179.25 180.80 3b3b n LEU 869 N -4.23 0.53 0.00 0.00 4.77 -0.25 -4.98 117.00 112.84 3b3b n LEU 869 Ca 0.03 0.02 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3b3b n LEU 869 Cb 0.28 -0.25 0.41 0.00 -2.33 0.00 0.00 43.42 41.53 3b3b n LEU 869 CO 0.41 0.11 0.62 0.00 -1.33 0.00 0.00 177.39 177.20