#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddu n SER 3 N 0.00 0.00 -3.82 -1.43 3.41 -1.26 -4.81 113.62 105.71 3ddu n SER 3 Ca 0.00 0.45 -0.16 0.00 -0.26 0.00 0.00 58.87 58.90 3ddu n SER 3 Cb 0.00 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 3ddu n SER 3 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3ddu s PHE 4 N -2.95 1.49 -0.06 7.33 -0.12 -1.26 -5.15 117.98 117.26 3ddu s PHE 4 Ca 0.07 -1.50 0.04 0.00 -0.05 0.00 0.00 56.93 55.50 3ddu s PHE 4 Cb 0.09 -0.68 -0.02 0.00 -0.63 0.00 0.00 43.02 41.78 3ddu s PHE 4 CO 0.23 -0.71 -0.18 1.14 -0.05 0.00 0.00 175.22 175.65 3ddu s GLN 5 N -3.81 2.57 0.37 1.99 1.03 -1.26 -5.12 119.66 115.43 3ddu s GLN 5 Ca 0.39 -0.77 -0.26 0.00 0.04 0.00 0.00 55.36 54.75 3ddu s GLN 5 Cb 0.05 -2.32 -0.09 0.00 0.03 0.00 0.00 33.01 30.68 3ddu s GLN 5 CO 0.19 0.51 1.18 0.71 -2.54 0.00 0.00 175.29 175.34 3ddu s TYR 6 N -0.45 3.14 0.70 9.60 2.02 -1.26 -4.99 117.35 126.11 3ddu s TYR 6 Ca 0.05 1.56 -0.16 0.00 -0.37 0.00 0.00 57.07 58.14 3ddu s TYR 6 Cb -0.12 -3.42 0.02 0.00 -0.40 0.00 0.00 41.96 38.04 3ddu s TYR 6 CO 0.02 -1.27 1.24 -2.14 -1.57 0.00 0.00 175.55 171.83 3ddu s PRO 7 N -2.10 2.31 0.19 -1.71 0.02 -1.26 -4.97 135.00 127.47 3ddu s PRO 7 Ca 0.54 1.89 -0.31 0.00 0.02 0.00 0.00 61.00 63.14 3ddu s PRO 7 Cb -0.32 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 3ddu s PRO 7 CO 0.41 -1.74 1.50 -0.51 -0.33 0.00 0.00 177.00 176.33 3ddu s ASP 8 N -1.75 6.63 -0.13 2.53 1.01 -1.26 -5.02 116.67 118.68 3ddu s ASP 8 Ca 0.78 2.61 -0.04 0.00 0.71 0.00 0.00 52.55 56.61 3ddu s ASP 8 Cb -0.33 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.05 3ddu s ASP 8 CO 0.43 -0.76 0.09 -0.69 0.21 0.00 0.00 175.17 174.44 3ddu s VAL 9 N 0.70 -0.11 0.30 -1.27 1.01 -1.26 -4.99 120.40 114.77 3ddu s VAL 9 Ca 0.65 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 3ddu s VAL 9 Cb -0.42 -0.45 -0.11 0.00 0.00 0.00 0.00 36.38 35.39 3ddu s VAL 9 CO 0.36 -0.13 1.57 -0.47 0.00 0.00 0.00 175.10 176.42 3ddu s TYR 10 N 2.16 2.76 -0.30 5.22 5.04 -1.26 -4.99 117.35 125.98 3ddu s TYR 10 Ca 0.03 0.85 -0.10 0.00 -2.44 0.00 0.00 57.07 55.41 3ddu s TYR 10 Cb -0.15 -4.04 -0.01 0.00 0.35 0.00 0.00 41.96 38.11 3ddu s TYR 10 CO -0.07 -3.43 0.15 1.03 -1.34 0.00 0.00 175.55 171.89 3ddu s ARG 11 N -0.67 3.44 -0.91 4.97 0.52 -1.26 -4.74 118.95 120.30 3ddu s ARG 11 Ca 0.62 -0.65 -0.22 0.00 -0.52 0.00 0.00 55.73 54.96 3ddu s ARG 11 Cb -0.47 -3.57 0.07 0.00 0.52 0.00 0.00 34.95 31.51 3ddu s ARG 11 CO 0.49 -0.37 1.27 0.34 0.02 0.00 0.00 175.30 177.05 3ddu s ASP 12 N 1.64 6.46 0.00 0.23 2.15 -0.09 -4.83 116.67 122.23 3ddu s ASP 12 Ca 0.05 -1.45 0.21 0.00 0.43 0.00 0.00 52.55 51.79 3ddu s ASP 12 Cb -0.17 -2.50 1.04 0.00 -0.30 0.00 0.00 42.92 40.99 3ddu s ASP 12 CO 0.07 -1.41 1.67 -0.62 -0.17 0.00 0.00 175.17 174.71 3ddu n GLU 13 N 8.10 0.25 0.05 4.34 -0.58 -1.26 -2.34 120.64 129.20 3ddu n GLU 13 Ca 0.22 0.10 0.12 0.00 -0.42 0.00 0.00 57.16 57.18 3ddu n GLU 13 Cb 0.50 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 30.15 3ddu n GLU 13 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3ddu n THR 14 N -1.32 0.28 -2.46 2.62 -2.24 -1.26 -4.85 114.28 105.05 3ddu n THR 14 Ca 0.09 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 3ddu n THR 14 Cb 0.18 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3ddu n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddu s ALA 15 N -3.10 3.08 -0.01 6.98 0.00 -0.99 -4.99 121.76 122.75 3ddu s ALA 15 Ca 0.09 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3ddu s ALA 15 Cb 0.15 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3ddu s ALA 15 CO 0.67 -2.36 -0.02 0.08 0.00 0.00 0.00 175.76 174.13 3ddu s VAL 16 N 5.05 0.19 -0.03 0.00 1.01 -1.26 -1.42 120.40 123.93 3ddu s VAL 16 Ca 0.56 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.52 3ddu s VAL 16 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 3ddu s VAL 16 CO 0.32 0.07 -0.20 -1.10 0.00 0.00 0.00 175.10 174.19 3ddu s GLN 17 N 0.10 2.27 -0.25 2.72 1.11 -0.08 -4.97 119.66 120.56 3ddu s GLN 17 Ca -0.01 -0.83 -0.09 0.00 0.01 0.00 0.00 55.36 54.44 3ddu s GLN 17 Cb -0.03 -2.20 -0.04 0.00 -1.01 0.00 0.00 33.01 29.73 3ddu s GLN 17 CO -0.00 0.59 0.12 0.34 0.01 0.00 0.00 175.29 176.34 3ddu s ASP 18 N -0.75 5.62 -0.55 5.90 2.15 -1.26 -1.02 116.67 126.76 3ddu s ASP 18 Ca 0.11 -0.06 -0.03 0.00 0.43 0.00 0.00 52.55 53.00 3ddu s ASP 18 Cb -0.10 -2.02 0.14 0.00 -0.30 0.00 0.00 42.92 40.64 3ddu s ASP 18 CO 0.00 -0.00 0.36 -0.31 -0.17 0.00 0.00 175.17 175.05 3ddu s TYR 19 N 1.44 3.48 -1.48 -5.34 1.51 0.11 -4.73 117.35 112.34 3ddu s TYR 19 Ca 0.06 -2.57 -0.12 0.00 -1.01 0.00 0.00 57.07 53.44 3ddu s TYR 19 Cb -0.15 -3.23 0.06 0.00 -0.11 0.00 0.00 41.96 38.53 3ddu s TYR 19 CO 0.06 -0.90 1.02 0.72 -1.11 0.00 0.00 175.55 175.34 3ddu n HIS 20 N 3.94 -2.42 0.00 2.71 8.25 -1.26 -0.57 115.22 125.87 3ddu n HIS 20 Ca 0.04 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 58.43 3ddu n HIS 20 Cb 0.39 -4.26 0.00 0.00 1.12 0.00 0.00 29.99 27.24 3ddu n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ddu n GLY 21 N -1.75 2.10 3.60 -1.41 0.00 -1.26 -5.03 105.19 101.43 3ddu n GLY 21 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3ddu n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ddu s HIS 22 N -2.32 3.23 -0.06 1.61 5.65 0.26 -5.04 115.29 118.62 3ddu s HIS 22 Ca 0.00 0.56 -0.23 0.00 0.25 0.00 0.00 55.06 55.64 3ddu s HIS 22 Cb 0.00 -2.86 -0.04 0.00 -1.18 0.00 0.00 32.58 28.50 3ddu s HIS 22 CO 0.00 -0.40 0.69 0.15 -0.65 0.00 0.00 174.74 174.54 3ddu s LYS 23 N 2.45 4.43 -0.12 2.88 -0.14 -1.26 0.08 119.74 128.07 3ddu s LYS 23 Ca 0.23 0.87 0.02 0.00 -1.36 0.00 0.00 55.97 55.73 3ddu s LYS 23 Cb -0.15 -3.44 0.01 0.00 -1.68 0.00 0.00 37.83 32.57 3ddu s LYS 23 CO 0.11 0.08 -0.18 0.42 -0.76 0.00 0.00 175.35 175.02 3ddu s ILE 24 N 0.75 1.70 0.01 2.17 -1.09 -0.19 -4.99 121.20 119.56 3ddu s ILE 24 Ca 0.37 -0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 57.82 3ddu s ILE 24 Cb -0.18 -1.53 -0.05 0.00 -1.58 0.00 0.00 42.46 39.12 3ddu s ILE 24 CO 0.18 0.48 0.63 0.00 -1.23 0.00 0.00 174.94 175.00 3ddu n ASP 26 N 2.72 1.83 0.21 0.00 2.03 -0.51 -4.97 116.55 117.86 3ddu n ASP 26 Ca -0.06 -3.01 0.15 0.00 0.52 0.00 0.00 54.79 52.38 3ddu n ASP 26 Cb 0.51 -0.65 0.70 0.00 -0.72 0.00 0.00 41.12 40.95 3ddu n ASP 26 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ddu h PRO 27 N 4.37 0.00 -0.45 -0.67 0.13 -1.79 -1.65 132.00 131.95 3ddu h PRO 27 Ca 0.15 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.18 3ddu h PRO 27 Cb 0.78 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.85 3ddu h PRO 27 CO 0.63 0.00 0.07 0.66 -0.23 0.00 0.00 178.00 179.13 3ddu n TYR 28 N -2.59 1.51 -0.04 1.56 4.01 -1.26 -0.91 117.16 119.43 3ddu n TYR 28 Ca -0.00 -1.12 0.20 0.00 -0.16 0.00 0.00 57.90 56.82 3ddu n TYR 28 Cb 0.16 -0.48 0.66 0.00 -0.31 0.00 0.00 39.34 39.38 3ddu n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ddu h ALA 29 N 2.02 2.46 0.00 -0.72 0.00 -1.67 -0.86 119.26 120.49 3ddu h ALA 29 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ddu h ALA 29 Cb 1.80 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 3ddu h ALA 29 CO 0.43 -0.63 -0.01 0.11 0.00 0.00 0.00 179.25 179.15 3ddu h TRP 30 N 0.08 0.00 0.00 0.00 5.08 -1.85 -0.92 115.95 118.34 3ddu h TRP 30 Ca 0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.26 3ddu h TRP 30 Cb 1.04 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 3ddu h TRP 30 CO -0.00 0.01 0.00 1.28 -1.28 0.00 0.00 178.44 178.45 3ddu n LEU 31 N -3.20 0.00 0.15 0.11 4.77 -0.33 -2.33 117.00 116.17 3ddu n LEU 31 Ca -0.02 0.25 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 3ddu n LEU 31 Cb 0.15 -0.25 0.52 0.00 -2.33 0.00 0.00 43.42 41.51 3ddu n LEU 31 CO 0.23 -0.10 0.88 -0.33 -1.33 0.00 0.00 177.39 176.74 3ddu h GLU 32 N 0.00 0.00 -4.66 3.23 5.08 -1.34 -3.41 114.58 113.47 3ddu h GLU 32 Ca 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 3ddu h GLU 32 Cb 0.15 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.19 3ddu h GLU 32 CO 0.00 0.00 -0.08 0.34 -1.00 0.00 0.00 179.01 178.27 3ddu s ASP 33 N -4.49 6.19 0.27 1.42 -1.08 -0.99 -4.93 116.67 113.07 3ddu s ASP 33 Ca 0.04 -1.16 0.24 0.00 -0.52 0.00 0.00 52.55 51.15 3ddu s ASP 33 Cb 0.09 -2.25 0.98 0.00 -1.46 0.00 0.00 42.92 40.28 3ddu s ASP 33 CO 0.42 -0.84 1.73 -0.81 0.52 0.00 0.00 175.17 176.19 3ddu n PRO 34 N 5.82 0.21 0.00 4.34 -0.04 -1.26 -3.37 135.00 140.70 3ddu n PRO 34 Ca -0.09 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 3ddu n PRO 34 Cb 0.44 -1.89 0.06 0.00 -0.04 0.00 0.00 33.50 32.08 3ddu n PRO 34 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ddu n ASP 35 N -2.28 1.44 -4.82 3.54 8.00 -1.26 -4.58 116.55 116.59 3ddu n ASP 35 Ca 0.02 -1.15 -0.32 0.00 0.71 0.00 0.00 54.79 54.05 3ddu n ASP 35 Cb 0.25 0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 41.87 3ddu n ASP 35 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ddu s SER 36 N -2.66 6.10 0.35 -2.24 1.04 -1.22 -4.91 113.70 110.16 3ddu s SER 36 Ca 0.16 1.72 0.04 0.00 0.48 0.00 0.00 55.95 58.35 3ddu s SER 36 Cb 0.18 -2.52 0.65 0.00 0.10 0.00 0.00 66.02 64.43 3ddu s SER 36 CO 0.65 -0.95 1.93 -0.33 0.98 0.00 0.00 173.24 175.52 3ddu h GLU 37 N 0.59 0.60 -0.17 4.02 4.39 -1.93 -1.34 114.58 120.73 3ddu h GLU 37 Ca -0.47 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 3ddu h GLU 37 Cb 1.21 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 3ddu h GLU 37 CO 0.59 0.52 0.08 1.96 -1.16 0.00 0.00 179.01 181.01 3ddu h GLN 38 N 0.59 0.25 -0.34 2.33 7.50 -1.95 0.12 115.11 123.61 3ddu h GLN 38 Ca 0.14 -0.04 -0.12 0.00 0.50 0.00 0.00 58.65 59.13 3ddu h GLN 38 Cb 0.18 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 3ddu h GLN 38 CO -0.01 0.29 -0.27 1.15 -1.50 0.00 0.00 178.83 178.48 3ddu h THR 39 N 0.15 1.29 -0.84 -0.54 2.02 -1.76 -1.68 112.91 111.55 3ddu h THR 39 Ca 0.06 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 3ddu h THR 39 Cb 0.12 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 3ddu h THR 39 CO -0.01 0.47 0.49 0.11 0.37 0.00 0.00 175.52 176.95 3ddu h LYS 40 N 0.57 1.15 -0.61 6.66 1.57 -1.17 -1.41 116.57 123.34 3ddu h LYS 40 Ca 0.06 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3ddu h LYS 40 Cb 0.84 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3ddu h LYS 40 CO 0.07 0.82 0.12 0.00 -0.57 0.00 0.00 179.45 179.90 3ddu h ALA 41 N 1.26 1.07 -0.07 3.86 0.00 -0.81 -1.79 119.26 122.78 3ddu h ALA 41 Ca 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ddu h ALA 41 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ddu h ALA 41 CO -0.05 0.61 0.04 0.35 0.00 0.00 0.00 179.25 180.20 3ddu h PHE 42 N 0.92 0.09 -0.43 0.00 3.04 -0.83 -1.45 116.94 118.27 3ddu h PHE 42 Ca 0.19 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 3ddu h PHE 42 Cb 0.36 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 3ddu h PHE 42 CO 0.02 0.09 0.24 0.28 -2.02 0.00 0.00 178.31 176.92 3ddu h VAL 43 N 0.06 1.16 -0.23 1.41 2.07 -1.08 -1.23 116.25 118.42 3ddu h VAL 43 Ca 0.02 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3ddu h VAL 43 Cb 0.02 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3ddu h VAL 43 CO -0.00 0.17 0.15 -0.33 0.02 0.00 0.00 177.57 177.57 3ddu h GLU 44 N 0.57 0.30 -0.76 1.57 4.39 -1.23 -1.04 114.58 118.37 3ddu h GLU 44 Ca 0.15 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 3ddu h GLU 44 Cb 0.05 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3ddu h GLU 44 CO -0.02 0.20 0.34 0.00 -1.16 0.00 0.00 179.01 178.36 3ddu h ALA 45 N 1.08 1.17 -0.11 3.43 0.00 -1.07 -1.30 119.26 122.46 3ddu h ALA 45 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3ddu h ALA 45 Cb -0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3ddu h ALA 45 CO -0.02 0.62 -0.02 1.96 0.00 0.00 0.00 179.25 181.79 3ddu h GLN 46 N 1.09 0.22 -0.34 0.00 1.08 -0.93 -2.92 115.11 113.31 3ddu h GLN 46 Ca 0.26 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 3ddu h GLN 46 Cb 0.15 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3ddu h GLN 46 CO -0.03 0.50 0.22 -0.91 -0.95 0.00 0.00 178.83 177.67 3ddu h ASN 47 N -0.09 0.35 0.91 1.46 2.35 -1.03 -1.93 115.58 117.59 3ddu h ASN 47 Ca 0.03 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3ddu h ASN 47 Cb 0.42 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 3ddu h ASN 47 CO 0.01 0.25 -0.09 0.11 -1.65 0.00 0.00 177.43 176.06 3ddu h LYS 48 N 0.41 0.00 0.07 0.81 1.57 -1.05 -1.05 116.57 117.33 3ddu h LYS 48 Ca 0.13 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.57 3ddu h LYS 48 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3ddu h LYS 48 CO -0.03 0.09 -1.93 0.44 -0.57 0.00 0.00 179.45 177.45 3ddu n ILE 49 N -3.24 1.69 -0.08 1.86 -5.35 -0.95 -4.42 119.36 108.87 3ddu n ILE 49 Ca 0.00 -0.72 -0.13 0.00 -0.27 0.00 0.00 62.75 61.63 3ddu n ILE 49 Cb 0.34 -1.39 -0.05 0.00 -1.74 0.00 0.00 39.64 36.79 3ddu n ILE 49 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3ddu h THR 50 N 0.04 1.31 -0.04 7.28 2.02 -1.08 -3.02 112.91 119.43 3ddu h THR 50 Ca -0.38 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.34 3ddu h THR 50 Cb 2.03 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 70.11 3ddu h THR 50 CO 0.07 0.46 0.01 0.58 0.37 0.00 0.00 175.52 177.01 3ddu h VAL 51 N 0.34 1.17 -0.01 3.16 2.07 -1.43 -1.77 116.25 119.78 3ddu h VAL 51 Ca 0.04 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ddu h VAL 51 Cb 0.84 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3ddu h VAL 51 CO 0.07 0.14 -0.11 -0.65 0.02 0.00 0.00 177.57 177.03 3ddu h PRO 52 N -0.13 0.01 -0.36 1.57 0.11 -1.77 -0.31 132.00 131.12 3ddu h PRO 52 Ca 0.01 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3ddu h PRO 52 Cb 0.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3ddu h PRO 52 CO -0.00 0.12 0.10 0.35 -0.21 0.00 0.00 178.00 178.37 3ddu h PHE 53 N 0.01 0.59 -0.16 0.65 3.04 -1.28 -1.62 116.94 118.16 3ddu h PHE 53 Ca 0.00 -0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.76 3ddu h PHE 53 Cb 0.20 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.55 3ddu h PHE 53 CO 0.00 0.57 -0.40 -0.07 -2.02 0.00 0.00 178.31 176.39 3ddu h LEU 54 N 0.43 0.63 -0.86 0.59 3.38 -1.02 -3.29 115.31 115.17 3ddu h LEU 54 Ca 0.11 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 3ddu h LEU 54 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ddu h LEU 54 CO -0.00 1.09 -0.21 -0.33 0.09 0.00 0.00 178.44 179.08 3ddu h GLU 55 N 0.21 0.00 0.00 1.13 5.08 -1.01 -2.59 114.58 117.39 3ddu h GLU 55 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3ddu h GLU 55 Cb 1.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3ddu h GLU 55 CO 0.09 0.21 -0.06 0.37 -1.00 0.00 0.00 179.01 178.61 3ddu h GLN 56 N 0.00 0.00 -6.21 2.33 5.75 -1.36 -3.43 115.11 112.19 3ddu h GLN 56 Ca -0.00 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.94 3ddu h GLN 56 Cb 0.84 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.36 3ddu h GLN 56 CO 0.03 0.06 1.00 0.00 -2.65 0.00 0.00 178.83 177.26 3ddu h PRO 58 N 8.92 0.00 0.00 0.00 0.13 -1.89 -1.84 132.00 137.33 3ddu h PRO 58 Ca -0.32 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.75 3ddu h PRO 58 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3ddu h PRO 58 CO 0.97 0.00 -0.30 0.82 -0.23 0.00 0.00 178.00 179.26 3ddu h ILE 59 N 0.00 0.95 -0.43 -3.56 5.03 -1.94 -3.27 117.51 114.29 3ddu h ILE 59 Ca 0.00 -1.13 0.03 0.00 -0.12 0.00 0.00 64.86 63.65 3ddu h ILE 59 Cb 0.28 1.66 -0.04 0.00 -3.03 0.00 0.00 36.82 35.69 3ddu h ILE 59 CO 0.00 0.29 0.22 -0.09 -0.68 0.00 0.00 178.15 177.89 3ddu h ARG 60 N 0.00 0.42 -0.26 2.37 2.43 -1.62 0.12 114.38 117.84 3ddu h ARG 60 Ca -0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 3ddu h ARG 60 Cb 0.63 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3ddu h ARG 60 CO 0.04 0.28 -0.34 0.78 -1.51 0.00 0.00 179.97 179.22 3ddu h GLY 61 N 0.44 0.62 0.88 2.80 0.00 -1.76 0.35 103.07 106.39 3ddu h GLY 61 Ca 0.19 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 3ddu h GLY 61 CO -0.13 0.52 0.02 1.41 0.00 0.00 0.00 176.54 178.37 3ddu h LEU 62 N 0.48 0.47 -0.26 3.11 3.38 -1.53 -1.24 115.31 119.72 3ddu h LEU 62 Ca 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3ddu h LEU 62 Cb 0.82 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3ddu h LEU 62 CO 0.07 0.64 0.13 0.22 0.09 0.00 0.00 178.44 179.59 3ddu h TYR 63 N 0.29 0.36 -0.56 1.13 5.03 -0.57 -1.83 116.97 120.82 3ddu h TYR 63 Ca 0.08 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.39 3ddu h TYR 63 Cb 0.38 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.52 3ddu h TYR 63 CO 0.03 0.31 0.37 -0.22 -1.32 0.00 0.00 178.16 177.33 3ddu h LYS 64 N 0.29 0.74 -0.47 1.82 3.64 -0.86 0.11 116.57 121.85 3ddu h LYS 64 Ca 0.09 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3ddu h LYS 64 Cb 0.08 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3ddu h LYS 64 CO -0.01 0.49 0.25 1.49 -2.27 0.00 0.00 179.45 179.41 3ddu h GLU 65 N 0.76 0.65 -0.51 1.90 4.81 -1.12 -0.83 114.58 120.24 3ddu h GLU 65 Ca 0.20 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3ddu h GLU 65 Cb -0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3ddu h GLU 65 CO -0.04 0.52 -0.15 -0.09 -0.73 0.00 0.00 179.01 178.51 3ddu h ARG 66 N 0.62 1.00 -0.46 1.92 9.65 -0.84 -1.61 114.38 124.67 3ddu h ARG 66 Ca 0.16 -0.39 -0.03 0.00 -1.10 0.00 0.00 59.98 58.63 3ddu h ARG 66 Cb 0.06 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 3ddu h ARG 66 CO -0.03 1.07 0.18 1.98 2.80 0.00 0.00 179.97 185.98 3ddu h MET 67 N 0.88 0.69 -0.67 0.20 4.05 -0.65 -0.37 114.93 119.06 3ddu h MET 67 Ca 0.13 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3ddu h MET 67 Cb 0.72 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 3ddu h MET 67 CO 0.06 0.62 0.35 1.15 0.23 0.00 0.00 176.91 179.32 3ddu h THR 68 N 0.60 1.21 0.03 -0.77 2.02 -0.91 0.82 112.91 115.91 3ddu h THR 68 Ca 0.15 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 3ddu h THR 68 Cb 0.19 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3ddu h THR 68 CO -0.01 0.24 -0.01 -0.33 0.37 0.00 0.00 175.52 175.77 3ddu h GLU 69 N 0.94 -0.04 0.00 6.66 5.08 -1.04 -3.23 114.58 122.95 3ddu h GLU 69 Ca 0.24 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.40 3ddu h GLU 69 Cb 0.06 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3ddu h GLU 69 CO -0.04 0.45 -0.94 -0.07 -1.00 0.00 0.00 179.01 177.42 3ddu h LEU 70 N -0.54 0.00 -0.18 1.33 3.38 -0.91 -2.88 115.31 115.50 3ddu h LEU 70 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ddu h LEU 70 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ddu h LEU 70 CO 0.01 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.47 3ddu n TYR 71 N -3.36 0.41 -2.63 1.13 9.36 0.27 -4.43 117.16 117.90 3ddu n TYR 71 Ca 0.00 0.14 -0.43 0.00 3.32 0.00 0.00 57.90 60.93 3ddu n TYR 71 Cb 0.90 -0.73 0.00 0.00 -0.63 0.00 0.00 39.34 38.89 3ddu n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3ddu n ASP 72 N -1.85 4.97 -3.98 2.98 2.03 -1.09 -4.75 116.55 114.85 3ddu n ASP 72 Ca 0.04 -2.95 -0.09 0.00 0.52 0.00 0.00 54.79 52.32 3ddu n ASP 72 Cb 0.28 -1.66 -0.10 0.00 -0.72 0.00 0.00 41.12 38.92 3ddu n ASP 72 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3ddu s TYR 73 N 2.97 0.28 0.25 -0.67 1.13 -1.26 -4.96 117.35 115.09 3ddu s TYR 73 Ca 0.49 -0.62 -0.30 0.00 -1.41 0.00 0.00 57.07 55.23 3ddu s TYR 73 Cb 0.03 -0.21 -0.10 0.00 -1.10 0.00 0.00 41.96 40.58 3ddu s TYR 73 CO 0.03 -0.30 1.42 -1.25 -2.51 0.00 0.00 175.55 172.95 3ddu s PRO 74 N -2.41 4.28 -0.23 -3.49 0.04 -1.25 -4.02 135.00 127.93 3ddu s PRO 74 Ca -0.07 2.28 0.01 0.00 0.04 0.00 0.00 61.00 63.27 3ddu s PRO 74 Cb -0.03 -3.11 0.05 0.00 0.04 0.00 0.00 34.50 31.45 3ddu s PRO 74 CO -0.04 -0.40 -0.08 0.15 0.04 0.00 0.00 177.00 176.67 3ddu s LYS 75 N -0.45 1.90 0.12 4.56 1.02 -0.46 -4.93 119.74 121.50 3ddu s LYS 75 Ca 0.58 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.62 3ddu s LYS 75 Cb -0.41 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 3ddu s LYS 75 CO 0.44 -0.53 0.01 0.71 -0.92 0.00 0.00 175.35 175.05 3ddu s TYR 76 N 1.34 2.96 0.51 3.18 1.51 -1.26 -0.96 117.35 124.62 3ddu s TYR 76 Ca -0.05 -0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.00 3ddu s TYR 76 Cb -0.18 -1.49 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 3ddu s TYR 76 CO -0.07 0.49 0.70 -1.54 -1.11 0.00 0.00 175.55 174.03 3ddu s SER 77 N -2.55 5.38 0.41 2.29 1.04 -0.39 -4.99 113.70 114.88 3ddu s SER 77 Ca 0.27 -0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.20 3ddu s SER 77 Cb -0.11 -0.68 -0.10 0.00 0.10 0.00 0.00 66.02 65.22 3ddu s SER 77 CO 0.19 -1.03 1.18 0.00 0.98 0.00 0.00 173.24 174.56 3ddu s HIS 79 N -1.20 2.69 -0.05 0.00 3.76 -1.26 -4.52 115.29 114.71 3ddu s HIS 79 Ca 0.61 1.55 -0.09 0.00 -0.15 0.00 0.00 55.06 56.97 3ddu s HIS 79 Cb -0.54 -3.19 0.02 0.00 1.11 0.00 0.00 32.58 29.98 3ddu s HIS 79 CO 0.58 -1.56 0.22 -0.59 -0.85 0.00 0.00 174.74 172.54 3ddu s PHE 80 N -2.14 -0.15 -0.14 1.40 -0.71 0.07 -4.68 117.98 111.62 3ddu s PHE 80 Ca 0.69 0.34 -0.10 0.00 -1.04 0.00 0.00 56.93 56.81 3ddu s PHE 80 Cb -0.21 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.60 3ddu s PHE 80 CO 0.35 -0.22 0.20 0.21 -1.34 0.00 0.00 175.22 174.43 3ddu s LYS 81 N -0.56 3.90 -0.08 1.99 2.20 -1.26 -0.27 119.74 125.65 3ddu s LYS 81 Ca -0.07 -0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.49 3ddu s LYS 81 Cb -0.04 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 3ddu s LYS 81 CO 0.01 0.51 0.00 0.15 -0.36 0.00 0.00 175.35 175.66 3ddu s LYS 82 N -0.29 0.63 6.79 4.03 -0.14 0.01 -5.00 119.74 125.76 3ddu s LYS 82 Ca 0.14 0.08 0.00 0.00 -1.36 0.00 0.00 55.97 54.83 3ddu s LYS 82 Cb -0.12 -1.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.98 3ddu s LYS 82 CO 0.03 -0.32 0.00 0.41 -0.76 0.00 0.00 175.35 174.71 3ddu n GLY 83 N 5.14 3.37 0.61 -3.33 0.00 -1.25 -2.04 105.19 107.69 3ddu n GLY 83 Ca -0.07 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.91 3ddu n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ddu n LYS 84 N 14.00 1.81 -4.41 1.61 2.85 -1.26 -4.93 118.16 127.82 3ddu n LYS 84 Ca 0.00 -1.21 -0.26 0.00 -1.05 0.00 0.00 58.31 55.79 3ddu n LYS 84 Cb 0.00 -1.40 -0.11 0.00 -0.65 0.00 0.00 35.03 32.87 3ddu n LYS 84 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3ddu s ARG 85 N -1.76 1.65 0.05 -1.58 0.52 -0.87 -4.70 118.95 112.27 3ddu s ARG 85 Ca 0.32 -1.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.01 3ddu s ARG 85 Cb 0.18 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 3ddu s ARG 85 CO 0.26 0.39 0.08 0.71 0.02 0.00 0.00 175.30 176.76 3ddu s TYR 86 N -1.89 3.23 0.11 -0.53 2.02 -0.31 -0.81 117.35 119.17 3ddu s TYR 86 Ca 0.24 0.12 0.05 0.00 -0.37 0.00 0.00 57.07 57.11 3ddu s TYR 86 Cb -0.07 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3ddu s TYR 86 CO 0.12 0.53 -0.12 -0.06 -1.57 0.00 0.00 175.55 174.45 3ddu s PHE 87 N -1.33 1.23 -0.03 2.71 0.40 0.62 -0.96 117.98 120.63 3ddu s PHE 87 Ca 0.27 -0.60 -0.29 0.00 -0.60 0.00 0.00 56.93 55.72 3ddu s PHE 87 Cb -0.12 -0.66 0.09 0.00 0.51 0.00 0.00 43.02 42.84 3ddu s PHE 87 CO 0.19 0.07 0.76 1.52 0.70 0.00 0.00 175.22 178.47 3ddu s TYR 88 N -2.24 -0.53 0.18 0.36 1.13 -0.87 -0.75 117.35 114.63 3ddu s TYR 88 Ca 0.07 0.74 -0.09 0.00 -1.41 0.00 0.00 57.07 56.38 3ddu s TYR 88 Cb -0.04 0.47 -0.07 0.00 -1.10 0.00 0.00 41.96 41.22 3ddu s TYR 88 CO 0.02 -0.59 0.49 -0.06 -2.51 0.00 0.00 175.55 172.89 3ddu s PHE 89 N -1.93 3.48 -0.19 -3.49 0.08 -1.26 -0.41 117.98 114.26 3ddu s PHE 89 Ca -0.05 0.81 -0.16 0.00 0.12 0.00 0.00 56.93 57.65 3ddu s PHE 89 Cb -0.00 -2.20 0.05 0.00 -0.57 0.00 0.00 43.02 40.30 3ddu s PHE 89 CO 0.01 0.36 0.51 -0.47 -0.10 0.00 0.00 175.22 175.53 3ddu s TYR 90 N -1.68 -0.60 -0.13 0.36 5.04 -0.15 -1.27 117.35 118.93 3ddu s TYR 90 Ca 0.43 1.40 0.03 0.00 -2.44 0.00 0.00 57.07 56.49 3ddu s TYR 90 Cb -0.12 0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.43 3ddu s TYR 90 CO 0.21 -0.30 -0.22 1.21 -1.34 0.00 0.00 175.55 175.11 3ddu s ASN 91 N 0.55 3.13 0.59 4.32 3.84 -0.14 -1.41 114.94 125.82 3ddu s ASN 91 Ca -0.02 -0.59 0.36 0.00 0.21 0.00 0.00 52.86 52.81 3ddu s ASN 91 Cb -0.04 -1.44 1.85 0.00 -0.55 0.00 0.00 41.25 41.06 3ddu s ASN 91 CO -0.03 0.09 2.18 0.71 -2.79 0.00 0.00 177.10 177.27 3ddu h THR 92 N 5.80 0.20 0.00 -5.21 1.35 -1.89 -1.22 112.91 111.94 3ddu h THR 92 Ca -0.30 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3ddu h THR 92 Cb 1.20 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3ddu h THR 92 CO 0.54 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 3ddu n GLY 93 N -0.71 0.29 0.04 5.82 0.00 -1.26 -3.80 105.19 105.58 3ddu n GLY 93 Ca -0.02 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.22 3ddu n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ddu n LEU 94 N 0.00 2.04 -4.76 0.99 4.77 -1.26 -4.41 117.00 114.37 3ddu n LEU 94 Ca 0.00 -2.34 -0.39 0.00 -0.03 0.00 0.00 56.01 53.25 3ddu n LEU 94 Cb 0.00 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3ddu n LEU 94 CO 0.00 0.56 1.01 -1.10 -1.33 0.00 0.00 177.39 176.53 3ddu s GLN 95 N -1.67 3.54 0.23 3.23 -0.21 -1.26 -4.82 119.66 118.69 3ddu s GLN 95 Ca 0.12 2.28 -0.06 0.00 0.02 0.00 0.00 55.36 57.72 3ddu s GLN 95 Cb 0.11 -2.52 0.21 0.00 1.00 0.00 0.00 33.01 31.81 3ddu s GLN 95 CO 0.01 -0.89 1.78 -0.91 -2.12 0.00 0.00 175.29 173.16 3ddu h ASN 96 N 2.06 1.03 -4.28 5.90 2.35 -1.96 -3.40 115.58 117.28 3ddu h ASN 96 Ca -0.51 -0.18 -0.52 0.00 -0.55 0.00 0.00 56.30 54.55 3ddu h ASN 96 Cb 1.27 -0.27 -0.28 0.00 0.05 0.00 0.00 38.32 39.10 3ddu h ASN 96 CO 0.60 0.94 -0.82 -1.10 -1.65 0.00 0.00 177.43 175.40 3ddu s GLN 97 N -5.44 1.25 0.67 0.81 -1.52 -1.26 -2.00 119.66 112.17 3ddu s GLN 97 Ca -0.12 -0.67 -0.15 0.00 -1.95 0.00 0.00 55.36 52.48 3ddu s GLN 97 Cb 0.16 -1.24 0.00 0.00 -0.22 0.00 0.00 33.01 31.71 3ddu s GLN 97 CO 0.83 0.33 1.10 -0.98 -0.25 0.00 0.00 175.29 176.33 3ddu s ARG 98 N -0.65 2.78 -0.05 2.91 1.70 -1.26 -4.77 118.95 119.61 3ddu s ARG 98 Ca 0.06 1.35 0.03 0.00 -0.47 0.00 0.00 55.73 56.70 3ddu s ARG 98 Cb -0.07 -1.95 -0.03 0.00 -0.57 0.00 0.00 34.95 32.33 3ddu s ARG 98 CO 0.00 -1.26 -0.14 0.08 -1.08 0.00 0.00 175.30 172.90 3ddu s VAL 99 N -2.41 3.12 -0.16 4.99 1.01 -0.50 -4.52 120.40 121.93 3ddu s VAL 99 Ca 0.66 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 3ddu s VAL 99 Cb -0.20 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3ddu s VAL 99 CO 0.43 0.59 0.59 -0.22 0.00 0.00 0.00 175.10 176.49 3ddu s LEU 100 N -0.71 4.20 0.19 3.92 2.96 -0.18 -0.97 118.68 128.08 3ddu s LEU 100 Ca 0.11 0.85 0.08 0.00 -0.22 0.00 0.00 54.13 54.95 3ddu s LEU 100 Cb -0.11 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 3ddu s LEU 100 CO 0.01 -0.18 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.53 3ddu s TYR 101 N 1.43 2.79 0.03 5.38 1.51 0.45 -0.25 117.35 128.70 3ddu s TYR 101 Ca 0.29 -0.16 0.04 0.00 -1.01 0.00 0.00 57.07 56.23 3ddu s TYR 101 Cb -0.16 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 3ddu s TYR 101 CO 0.11 0.53 -0.13 0.54 -1.11 0.00 0.00 175.55 175.49 3ddu s VAL 102 N -1.79 1.03 0.11 0.71 0.11 -0.29 -2.05 120.40 118.23 3ddu s VAL 102 Ca 0.27 -0.94 -0.06 0.00 -2.93 0.00 0.00 61.98 58.33 3ddu s VAL 102 Cb -0.09 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 3ddu s VAL 102 CO 0.18 0.00 0.15 0.00 -3.33 0.00 0.00 175.10 172.10 3ddu s GLN 103 N -1.06 0.89 0.02 1.54 -2.07 -0.13 -0.93 119.66 117.91 3ddu s GLN 103 Ca 0.01 -1.14 0.25 0.00 -1.82 0.00 0.00 55.36 52.66 3ddu s GLN 103 Cb -0.08 0.31 0.53 0.00 -1.09 0.00 0.00 33.01 32.68 3ddu s GLN 103 CO 0.01 -0.27 1.43 -0.25 -1.32 0.00 0.00 175.29 174.89 3ddu n ASP 104 N -0.07 0.50 -3.71 12.60 8.00 -1.26 -1.16 116.55 131.44 3ddu n ASP 104 Ca -0.11 -0.12 -0.06 0.00 0.71 0.00 0.00 54.79 55.20 3ddu n ASP 104 Cb 0.62 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.89 3ddu n ASP 104 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ddu s SER 105 N -3.25 -0.27 0.52 -2.24 1.04 -1.26 -4.72 113.70 103.52 3ddu s SER 105 Ca 0.10 -0.37 0.18 0.00 0.48 0.00 0.00 55.95 56.35 3ddu s SER 105 Cb 0.17 0.56 1.32 0.00 0.10 0.00 0.00 66.02 68.17 3ddu s SER 105 CO 0.69 -1.01 2.14 -0.07 0.98 0.00 0.00 173.24 175.97 3ddu h LEU 106 N 2.00 0.00 0.00 2.42 4.07 -1.98 -1.66 115.31 120.16 3ddu h LEU 106 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 3ddu h LEU 106 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3ddu h LEU 106 CO 0.27 0.03 -0.43 -0.62 -1.08 0.00 0.00 178.44 176.60 3ddu n GLU 107 N -4.39 0.04 -1.91 1.13 4.71 -1.26 -4.97 120.64 113.99 3ddu n GLU 107 Ca -0.03 0.01 -0.32 0.00 -0.01 0.00 0.00 57.16 56.82 3ddu n GLU 107 Cb 0.11 -1.53 0.02 0.00 -1.01 0.00 0.00 31.44 29.03 3ddu n GLU 107 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3ddu s GLY 108 N -3.09 1.88 0.09 0.62 0.00 -0.62 -4.98 107.32 101.21 3ddu s GLY 108 Ca 0.11 0.17 -0.31 0.00 0.00 0.00 0.00 44.72 44.69 3ddu s GLY 108 CO 0.67 0.47 1.40 1.85 0.00 0.00 0.00 173.10 177.50 3ddu s GLU 109 N -4.59 4.31 0.39 2.90 2.12 -1.26 -4.82 118.70 117.75 3ddu s GLU 109 Ca 0.59 2.07 -0.14 0.00 0.36 0.00 0.00 54.97 57.85 3ddu s GLU 109 Cb -0.13 -3.32 -0.08 0.00 0.26 0.00 0.00 34.13 30.86 3ddu s GLU 109 CO 0.45 -0.47 0.80 0.00 -0.54 0.00 0.00 175.26 175.50 3ddu s ALA 110 N 1.38 3.27 0.09 6.30 0.00 -1.26 -4.56 121.76 126.98 3ddu s ALA 110 Ca 0.65 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.63 3ddu s ALA 110 Cb -0.36 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3ddu s ALA 110 CO 0.30 0.11 -0.06 -0.98 0.00 0.00 0.00 175.76 175.13 3ddu s ARG 111 N -3.46 0.77 0.17 0.00 1.70 -0.11 -4.97 118.95 113.05 3ddu s ARG 111 Ca 0.55 -1.25 -0.32 0.00 -0.47 0.00 0.00 55.73 54.24 3ddu s ARG 111 Cb -0.10 -0.17 -0.10 0.00 -0.57 0.00 0.00 34.95 34.01 3ddu s ARG 111 CO 0.24 -0.02 1.60 0.08 -1.08 0.00 0.00 175.30 176.12 3ddu s VAL 112 N -3.37 2.49 -0.22 4.99 1.01 -1.26 -1.14 120.40 122.91 3ddu s VAL 112 Ca 0.08 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 3ddu s VAL 112 Cb 0.04 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 3ddu s VAL 112 CO -0.05 0.03 -0.26 0.33 0.00 0.00 0.00 175.10 175.15 3ddu n PHE 113 N 3.98 0.00 -3.56 5.22 7.35 0.65 -4.81 117.46 126.29 3ddu n PHE 113 Ca 0.14 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.68 3ddu n PHE 113 Cb 0.38 -0.78 -0.13 0.00 0.35 0.00 0.00 39.48 39.30 3ddu n PHE 113 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3ddu s LEU 114 N -6.97 -0.25 -0.45 -2.13 2.96 -0.69 -4.97 118.68 106.18 3ddu s LEU 114 Ca -0.30 0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.76 3ddu s LEU 114 Cb 0.11 0.60 0.12 0.00 0.50 0.00 0.00 46.19 47.52 3ddu s LEU 114 CO 0.40 -0.28 0.29 -0.62 -1.32 0.00 0.00 176.35 174.81 3ddu s ASP 115 N 2.39 5.48 0.48 3.68 -1.08 -1.26 -1.01 116.67 125.35 3ddu s ASP 115 Ca 0.05 -2.02 0.33 0.00 -0.52 0.00 0.00 52.55 50.39 3ddu s ASP 115 Cb -0.14 -1.92 1.55 0.00 -1.46 0.00 0.00 42.92 40.95 3ddu s ASP 115 CO -0.11 -0.61 1.98 -0.65 0.52 0.00 0.00 175.17 176.31 3ddu h PRO 116 N 8.19 0.00 0.00 4.34 0.11 -1.90 -3.09 132.00 139.65 3ddu h PRO 116 Ca -0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 3ddu h PRO 116 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ddu h PRO 116 CO 0.78 0.00 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.53 3ddu h ASN 117 N 0.00 0.00 -0.03 -2.05 2.35 -1.86 -1.66 115.58 112.34 3ddu h ASN 117 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ddu h ASN 117 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3ddu h ASN 117 CO 0.00 0.13 0.00 2.30 -1.65 0.00 0.00 177.43 178.21 3ddu n ILE 118 N -4.29 0.03 1.26 2.81 -5.35 -1.17 -3.32 119.36 109.33 3ddu n ILE 118 Ca -0.03 -0.07 0.13 0.00 -0.27 0.00 0.00 62.75 62.51 3ddu n ILE 118 Cb 0.20 -0.17 0.34 0.00 -1.74 0.00 0.00 39.64 38.27 3ddu n ILE 118 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ddu n LEU 119 N -0.59 1.51 -3.98 7.28 4.77 -0.62 -4.94 117.00 120.42 3ddu n LEU 119 Ca 0.17 -0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 55.54 3ddu n LEU 119 Cb 0.14 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3ddu n LEU 119 CO 0.13 0.27 0.30 -0.94 -1.33 0.00 0.00 177.39 175.82 3ddu s SER 120 N -2.30 0.69 0.00 -1.43 1.04 -1.21 -4.81 113.70 105.68 3ddu s SER 120 Ca 0.28 -1.43 0.13 0.00 0.48 0.00 0.00 55.95 55.41 3ddu s SER 120 Cb 0.20 0.75 -0.08 0.00 0.10 0.00 0.00 66.02 66.99 3ddu s SER 120 CO 0.45 -1.49 0.64 0.47 0.98 0.00 0.00 173.24 174.30 3ddu n ASP 121 N -1.56 0.97 -0.14 7.02 9.92 -1.26 -4.56 116.55 126.93 3ddu n ASP 121 Ca -0.03 -0.99 0.04 0.00 -0.53 0.00 0.00 54.79 53.29 3ddu n ASP 121 Cb 0.61 0.78 0.05 0.00 -0.64 0.00 0.00 41.12 41.92 3ddu n ASP 121 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3ddu n ASP 122 N -0.84 1.35 -1.23 -2.24 5.68 -1.26 -5.01 116.55 113.00 3ddu n ASP 122 Ca 0.04 -2.25 -0.13 0.00 -0.50 0.00 0.00 54.79 51.94 3ddu n ASP 122 Cb 0.24 -0.21 -0.04 0.00 -1.14 0.00 0.00 41.12 39.97 3ddu n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ddu n GLY 123 N -0.66 0.79 1.38 6.12 0.00 -1.26 -4.85 105.19 106.72 3ddu n GLY 123 Ca 0.06 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.82 3ddu n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ddu n THR 124 N -3.16 1.13 -3.96 2.61 -2.24 -1.26 -4.12 114.28 103.28 3ddu n THR 124 Ca -0.14 -1.00 -0.35 0.00 -2.27 0.00 0.00 64.05 60.28 3ddu n THR 124 Cb 0.51 0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 69.04 3ddu n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ddu s VAL 125 N -1.19 4.55 0.09 2.28 1.01 -1.26 -0.14 120.40 125.73 3ddu s VAL 125 Ca 0.49 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3ddu s VAL 125 Cb 0.27 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3ddu s VAL 125 CO 0.31 0.41 -0.12 0.00 0.00 0.00 0.00 175.10 175.71 3ddu s ALA 126 N 0.84 1.14 0.28 5.51 0.00 -0.56 -4.77 121.76 124.20 3ddu s ALA 126 Ca 0.03 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 3ddu s ALA 126 Cb -0.14 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.85 3ddu s ALA 126 CO 0.02 0.06 1.36 -1.17 0.00 0.00 0.00 175.76 176.03 3ddu s LEU 127 N -2.08 4.41 -0.36 0.00 2.96 -1.26 -1.09 118.68 121.26 3ddu s LEU 127 Ca 0.01 2.64 0.01 0.00 -0.22 0.00 0.00 54.13 56.57 3ddu s LEU 127 Cb -0.07 -3.63 0.14 0.00 0.50 0.00 0.00 46.19 43.13 3ddu s LEU 127 CO 0.01 -0.59 0.25 -0.60 -1.32 0.00 0.00 176.35 174.10 3ddu s ARG 128 N -1.01 0.57 0.00 1.98 3.52 0.12 -4.83 118.95 119.31 3ddu s ARG 128 Ca 0.54 -1.21 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3ddu s ARG 128 Cb -0.40 -1.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.85 3ddu s ARG 128 CO 0.47 -1.21 0.00 0.41 -0.81 0.00 0.00 175.30 174.16 3ddu n GLY 129 N 4.09 -0.75 3.50 8.12 0.00 -1.26 -3.76 105.19 115.13 3ddu n GLY 129 Ca 0.12 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 3ddu n GLY 129 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ddu s TYR 130 N -2.96 -0.43 -0.20 1.61 -0.85 -1.26 -0.55 117.35 112.72 3ddu s TYR 130 Ca 0.00 0.21 -0.10 0.00 -0.52 0.00 0.00 57.07 56.66 3ddu s TYR 130 Cb 0.00 0.57 0.07 0.00 0.38 0.00 0.00 41.96 42.98 3ddu s TYR 130 CO 0.00 -0.79 0.48 0.00 -1.52 0.00 0.00 175.55 173.72 3ddu s ALA 131 N -3.55 -1.28 0.24 9.51 0.00 -0.06 -4.95 121.76 121.67 3ddu s ALA 131 Ca 0.04 1.74 -0.19 0.00 0.00 0.00 0.00 51.96 53.55 3ddu s ALA 131 Cb -0.01 -1.15 -0.08 0.00 0.00 0.00 0.00 23.12 21.88 3ddu s ALA 131 CO -0.09 -0.42 0.73 -0.06 0.00 0.00 0.00 175.76 175.92 3ddu s PHE 132 N 1.76 3.62 0.84 0.00 0.40 -1.26 -0.83 117.98 122.50 3ddu s PHE 132 Ca -0.08 1.38 -0.12 0.00 -0.60 0.00 0.00 56.93 57.51 3ddu s PHE 132 Cb -0.09 -2.62 0.10 0.00 0.51 0.00 0.00 43.02 40.92 3ddu s PHE 132 CO -0.14 0.30 1.19 -1.54 0.70 0.00 0.00 175.22 175.73 3ddu s SER 133 N -1.72 3.41 0.29 1.36 1.04 -0.13 -4.76 113.70 113.20 3ddu s SER 133 Ca 0.45 2.31 0.02 0.00 0.48 0.00 0.00 55.95 59.21 3ddu s SER 133 Cb -0.16 -2.58 0.59 0.00 0.10 0.00 0.00 66.02 63.97 3ddu s SER 133 CO 0.21 -2.78 1.83 -0.08 0.98 0.00 0.00 173.24 173.39 3ddu h GLU 134 N -1.17 0.93 -0.00 4.02 4.57 -1.88 -0.05 114.58 121.00 3ddu h GLU 134 Ca -0.45 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3ddu h GLU 134 Cb 1.29 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3ddu h GLU 134 CO 0.45 0.62 -0.01 -0.40 -1.18 0.00 0.00 179.01 178.49 3ddu n ASP 135 N -4.63 0.06 0.00 1.04 5.68 -1.26 -4.60 116.55 112.84 3ddu n ASP 135 Ca 0.19 -0.60 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 3ddu n ASP 135 Cb 0.38 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3ddu n ASP 135 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ddu n GLY 136 N 1.15 0.54 0.04 6.12 0.00 -0.03 -3.94 105.19 109.06 3ddu n GLY 136 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3ddu n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ddu n GLU 137 N -2.13 0.25 -4.19 1.61 -0.58 -1.26 -4.70 120.64 109.64 3ddu n GLU 137 Ca 0.00 0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.61 3ddu n GLU 137 Cb 0.06 -1.61 -0.11 0.00 -0.57 0.00 0.00 31.44 29.22 3ddu n GLU 137 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3ddu s TYR 138 N -3.16 1.15 -0.08 -0.32 1.51 -1.26 -0.68 117.35 114.51 3ddu s TYR 138 Ca 0.05 -0.60 -0.03 0.00 -1.01 0.00 0.00 57.07 55.47 3ddu s TYR 138 Cb 0.14 -0.62 0.04 0.00 -0.11 0.00 0.00 41.96 41.41 3ddu s TYR 138 CO 0.77 0.04 0.17 0.12 -1.11 0.00 0.00 175.55 175.54 3ddu s PHE 139 N -2.22 -0.21 -0.02 2.71 5.36 -0.34 -0.95 117.98 122.32 3ddu s PHE 139 Ca 0.05 0.60 0.02 0.00 -0.96 0.00 0.00 56.93 56.63 3ddu s PHE 139 Cb -0.04 -0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.48 3ddu s PHE 139 CO 0.01 -0.22 -0.03 0.00 -1.46 0.00 0.00 175.22 173.51 3ddu s ALA 140 N 1.63 3.14 -0.05 11.12 0.00 -0.01 -0.43 121.76 137.16 3ddu s ALA 140 Ca -0.05 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 3ddu s ALA 140 Cb -0.12 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.76 3ddu s ALA 140 CO -0.06 0.62 0.21 1.52 0.00 0.00 0.00 175.76 178.04 3ddu s TYR 141 N -0.98 -0.16 0.06 0.00 1.13 -0.13 -0.88 117.35 116.38 3ddu s TYR 141 Ca 0.17 0.38 -0.10 0.00 -1.41 0.00 0.00 57.07 56.10 3ddu s TYR 141 Cb -0.11 0.05 -0.06 0.00 -1.10 0.00 0.00 41.96 40.74 3ddu s TYR 141 CO 0.07 -0.18 0.39 0.20 -2.51 0.00 0.00 175.55 173.52 3ddu s GLY 142 N -0.38 2.35 -0.06 5.49 0.00 0.29 -0.72 107.32 114.28 3ddu s GLY 142 Ca -0.05 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 44.35 3ddu s GLY 142 CO 0.01 -0.15 -0.23 1.08 0.00 0.00 0.00 173.10 173.81 3ddu s LEU 143 N -1.80 2.03 -0.04 0.66 1.43 0.26 -0.70 118.68 120.52 3ddu s LEU 143 Ca 0.31 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3ddu s LEU 143 Cb -0.14 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 3ddu s LEU 143 CO 0.17 0.20 -0.21 -0.44 0.23 0.00 0.00 176.35 176.30 3ddu s SER 144 N 0.01 3.43 -0.12 2.29 0.01 -0.25 -1.45 113.70 117.63 3ddu s SER 144 Ca -0.07 -0.38 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 3ddu s SER 144 Cb -0.14 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 3ddu s SER 144 CO 0.05 0.31 -0.00 0.00 0.41 0.00 0.00 173.24 174.01 3ddu s ALA 145 N -0.55 3.21 -1.92 1.44 0.00 -1.26 -1.50 121.76 121.18 3ddu s ALA 145 Ca 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3ddu s ALA 145 Cb -0.11 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.45 3ddu s ALA 145 CO 0.00 0.42 0.00 0.43 0.00 0.00 0.00 175.76 176.61 3ddu n SER 146 N 2.76 -5.44 0.00 0.00 7.64 0.79 -2.49 113.62 116.89 3ddu n SER 146 Ca -0.18 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.00 3ddu n SER 146 Cb 0.53 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 3ddu n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ddu n GLY 147 N -0.75 0.81 3.75 0.23 0.00 -1.26 -2.60 105.19 105.38 3ddu n GLY 147 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3ddu n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ddu s SER 148 N -2.66 5.19 0.56 1.61 0.15 -1.04 -3.94 113.70 113.57 3ddu s SER 148 Ca 0.00 2.49 0.35 0.00 0.70 0.00 0.00 55.95 59.49 3ddu s SER 148 Cb 0.00 -2.61 1.54 0.00 -1.71 0.00 0.00 66.02 63.24 3ddu s SER 148 CO 0.00 -1.60 2.04 0.44 1.20 0.00 0.00 173.24 175.32 3ddu h ASP 149 N 1.03 0.00 -3.97 5.45 3.32 -1.91 -3.42 116.42 116.92 3ddu h ASP 149 Ca -0.51 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.01 3ddu h ASP 149 Cb 1.30 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.96 3ddu h ASP 149 CO 0.56 0.00 0.68 0.26 -1.72 0.00 0.00 179.24 179.01 3ddu s TRP 150 N -3.74 2.59 0.02 4.55 0.52 -1.26 -4.57 118.94 117.04 3ddu s TRP 150 Ca 0.00 1.30 0.06 0.00 0.02 0.00 0.00 56.10 57.48 3ddu s TRP 150 Cb 0.10 -3.85 -0.02 0.00 -1.15 0.00 0.00 33.47 28.55 3ddu s TRP 150 CO 0.51 -2.66 -0.18 0.08 0.02 0.00 0.00 176.95 174.73 3ddu s VAL 151 N -1.21 1.44 -0.19 4.03 1.01 0.28 -4.36 120.40 121.39 3ddu s VAL 151 Ca 0.59 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 3ddu s VAL 151 Cb -0.42 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3ddu s VAL 151 CO 0.54 0.26 -0.03 -0.89 0.00 0.00 0.00 175.10 174.99 3ddu s THR 152 N -0.62 3.77 -0.17 3.92 2.01 -0.53 -3.22 115.64 120.80 3ddu s THR 152 Ca 0.06 -0.38 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 3ddu s THR 152 Cb -0.08 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3ddu s THR 152 CO 0.01 0.45 0.37 -0.63 -0.69 0.00 0.00 174.62 174.13 3ddu s ILE 153 N 0.88 5.24 0.42 1.82 1.01 -0.17 -0.57 121.20 129.84 3ddu s ILE 153 Ca -0.00 0.69 0.06 0.00 0.00 0.00 0.00 60.65 61.40 3ddu s ILE 153 Cb -0.14 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 3ddu s ILE 153 CO 0.02 0.32 0.01 -0.54 0.00 0.00 0.00 174.94 174.74 3ddu s LYS 154 N 0.88 1.99 0.02 2.79 1.02 0.10 -0.87 119.74 125.67 3ddu s LYS 154 Ca 0.19 -2.16 0.01 0.00 0.02 0.00 0.00 55.97 54.03 3ddu s LYS 154 Cb -0.14 -1.58 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 3ddu s LYS 154 CO 0.07 -0.11 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.28 3ddu s PHE 155 N -2.77 0.36 0.03 3.18 0.40 -1.25 -0.96 117.98 116.98 3ddu s PHE 155 Ca 0.30 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3ddu s PHE 155 Cb 0.08 -0.23 -0.02 0.00 0.51 0.00 0.00 43.02 43.36 3ddu s PHE 155 CO 0.15 -0.12 -0.07 -1.64 0.70 0.00 0.00 175.22 174.24 3ddu s MET 156 N -1.20 0.51 -0.10 0.44 -1.94 0.43 -1.38 119.30 116.06 3ddu s MET 156 Ca -0.11 -0.66 -0.26 0.00 -1.71 0.00 0.00 55.69 52.95 3ddu s MET 156 Cb -0.08 -0.30 -0.03 0.00 2.01 0.00 0.00 34.83 36.43 3ddu s MET 156 CO -0.00 0.06 0.82 0.21 -0.01 0.00 0.00 175.02 176.09 3ddu s LYS 157 N -1.34 4.40 0.07 2.03 2.20 0.06 -1.19 119.74 125.97 3ddu s LYS 157 Ca -0.08 1.06 -0.20 0.00 -0.36 0.00 0.00 55.97 56.39 3ddu s LYS 157 Cb -0.09 -3.50 -0.11 0.00 -1.51 0.00 0.00 37.83 32.62 3ddu s LYS 157 CO 0.00 -0.13 1.52 0.28 -0.36 0.00 0.00 175.35 176.66 3ddu h VAL 158 N 4.95 1.24 -2.49 4.02 2.07 -1.21 -0.70 116.25 124.14 3ddu h VAL 158 Ca -0.36 -0.80 -0.57 0.00 0.82 0.00 0.00 66.70 65.79 3ddu h VAL 158 Cb 1.17 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3ddu h VAL 158 CO 0.79 0.24 1.29 -0.62 0.02 0.00 0.00 177.57 179.29 3ddu s ASP 159 N -5.79 5.98 0.00 0.57 2.15 -1.26 -1.24 116.67 117.08 3ddu s ASP 159 Ca -0.14 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.54 3ddu s ASP 159 Cb 0.06 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3ddu s ASP 159 CO 0.72 -1.57 0.00 0.61 -0.17 0.00 0.00 175.17 174.76 3ddu n GLY 160 N 5.20 0.83 3.98 2.66 0.00 -1.26 -4.35 105.19 112.24 3ddu n GLY 160 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3ddu n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddu n ALA 161 N 0.05 -2.22 -2.65 4.61 0.00 -0.37 -4.90 120.51 115.03 3ddu n ALA 161 Ca 0.00 -0.34 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 3ddu n ALA 161 Cb 0.00 -2.09 -0.06 0.00 0.00 0.00 0.00 19.45 17.30 3ddu n ALA 161 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ddu s LYS 162 N -6.70 4.19 0.25 0.00 -0.14 -0.28 -4.91 119.74 112.15 3ddu s LYS 162 Ca 0.17 0.59 -0.30 0.00 -1.36 0.00 0.00 55.97 55.07 3ddu s LYS 162 Cb -0.08 -3.59 -0.10 0.00 -1.68 0.00 0.00 37.83 32.38 3ddu s LYS 162 CO 0.91 -0.27 1.49 -1.21 -0.76 0.00 0.00 175.35 175.52 3ddu s GLU 163 N 2.03 4.23 0.27 1.68 8.01 -1.26 -0.76 118.70 132.89 3ddu s GLU 163 Ca 0.28 2.37 0.07 0.00 0.01 0.00 0.00 54.97 57.70 3ddu s GLU 163 Cb -0.16 -3.10 -0.03 0.00 -4.31 0.00 0.00 34.13 26.53 3ddu s GLU 163 CO 0.10 -0.50 0.23 -0.51 0.01 0.00 0.00 175.26 174.59 3ddu s LEU 164 N -0.16 3.77 0.54 1.80 1.43 -0.48 -4.87 118.68 120.71 3ddu s LEU 164 Ca 0.62 -0.31 0.33 0.00 -1.03 0.00 0.00 54.13 53.74 3ddu s LEU 164 Cb -0.43 -2.33 1.27 0.00 0.03 0.00 0.00 46.19 44.72 3ddu s LEU 164 CO 0.42 -0.13 1.95 -0.65 0.23 0.00 0.00 176.35 178.17 3ddu h PRO 165 N 1.41 0.00 -6.64 1.29 0.11 -1.96 -3.42 132.00 122.78 3ddu h PRO 165 Ca -0.48 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.11 3ddu h PRO 165 Cb 1.24 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.40 3ddu h PRO 165 CO 0.60 0.00 0.89 -0.51 -0.21 0.00 0.00 178.00 178.77 3ddu s ASP 166 N -5.75 6.55 -0.05 -2.05 1.11 -1.26 -5.00 116.67 110.22 3ddu s ASP 166 Ca 0.02 2.68 -0.02 0.00 0.18 0.00 0.00 52.55 55.41 3ddu s ASP 166 Cb 0.09 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.51 3ddu s ASP 166 CO 0.56 -0.84 0.10 -0.69 1.18 0.00 0.00 175.17 175.48 3ddu s VAL 167 N 0.93 -0.05 -0.16 -1.27 1.01 -1.26 -3.80 120.40 115.79 3ddu s VAL 167 Ca 0.69 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.85 3ddu s VAL 167 Cb -0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 3ddu s VAL 167 CO 0.34 0.07 -0.14 -0.76 0.00 0.00 0.00 175.10 174.61 3ddu s LEU 168 N 1.06 2.52 0.41 3.92 1.43 -0.05 -4.55 118.68 123.42 3ddu s LEU 168 Ca -0.08 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 3ddu s LEU 168 Cb -0.11 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 3ddu s LEU 168 CO -0.04 0.07 0.33 -1.61 0.23 0.00 0.00 176.35 175.33 3ddu s GLU 169 N 0.90 2.50 -1.44 1.70 2.02 -1.26 -0.99 118.70 122.12 3ddu s GLU 169 Ca -0.03 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.40 3ddu s GLU 169 Cb -0.15 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.76 3ddu s GLU 169 CO -0.01 -0.14 0.00 0.54 0.02 0.00 0.00 175.26 175.67 3ddu n ARG 170 N -1.47 -1.21 -3.28 1.61 1.74 -1.26 -4.91 116.66 107.88 3ddu n ARG 170 Ca 0.02 0.85 -0.38 0.00 -0.77 0.00 0.00 57.85 57.57 3ddu n ARG 170 Cb 0.62 -5.16 -0.06 0.00 -1.02 0.00 0.00 32.46 26.84 3ddu n ARG 170 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ddu s VAL 171 N -2.73 5.17 -0.18 1.55 1.01 -1.20 -1.45 120.40 122.58 3ddu s VAL 171 Ca 0.00 1.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.81 3ddu s VAL 171 Cb 0.00 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.59 3ddu s VAL 171 CO 0.00 0.32 0.53 -0.75 0.00 0.00 0.00 175.10 175.20 3ddu s LYS 172 N 0.62 0.66 -1.35 2.72 2.20 -1.26 -0.56 119.74 122.78 3ddu s LYS 172 Ca 0.27 0.64 -0.01 0.00 -0.36 0.00 0.00 55.97 56.52 3ddu s LYS 172 Cb -0.15 0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 36.48 3ddu s LYS 172 CO 0.11 -0.10 0.57 1.19 -0.36 0.00 0.00 175.35 176.77 3ddu n PHE 173 N 2.55 -1.79 -4.16 4.03 3.72 -1.26 -4.76 117.46 115.79 3ddu n PHE 173 Ca -0.14 0.79 -0.33 0.00 -0.05 0.00 0.00 57.45 57.71 3ddu n PHE 173 Cb 0.56 -4.08 -0.08 0.00 -0.94 0.00 0.00 39.48 34.95 3ddu n PHE 173 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ddu s SER 174 N -4.35 5.55 0.79 4.37 0.15 -1.26 -4.91 113.70 114.04 3ddu s SER 174 Ca 0.01 0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 3ddu s SER 174 Cb -0.00 -1.57 0.07 0.00 -1.71 0.00 0.00 66.02 62.80 3ddu s SER 174 CO 0.85 0.29 1.11 0.00 1.20 0.00 0.00 173.24 176.68 3ddu s MET 176 N -5.23 0.19 -0.16 0.00 -1.94 -1.25 -4.11 119.30 106.80 3ddu s MET 176 Ca 0.61 0.27 -0.04 0.00 -1.71 0.00 0.00 55.69 54.81 3ddu s MET 176 Cb -0.14 -1.07 0.07 0.00 2.01 0.00 0.00 34.83 35.71 3ddu s MET 176 CO 0.53 -0.62 0.19 0.00 -0.01 0.00 0.00 175.02 175.11 3ddu s ALA 177 N 2.34 -0.14 0.16 3.03 0.00 -0.86 -4.80 121.76 121.50 3ddu s ALA 177 Ca 0.07 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 3ddu s ALA 177 Cb -0.15 -1.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.76 3ddu s ALA 177 CO -0.12 -1.02 0.92 -1.58 0.00 0.00 0.00 175.76 173.96 3ddu s TRP 178 N 2.29 3.89 0.51 0.00 0.52 -1.26 -0.36 118.94 124.52 3ddu s TRP 178 Ca 0.05 1.81 -0.21 0.00 0.02 0.00 0.00 56.10 57.76 3ddu s TRP 178 Cb -0.15 -2.98 -0.06 0.00 -1.15 0.00 0.00 33.47 29.13 3ddu s TRP 178 CO -0.10 0.34 1.17 0.95 0.02 0.00 0.00 176.95 179.34 3ddu s THR 179 N -0.59 2.98 -1.37 2.01 -4.23 -0.76 -4.81 115.64 108.87 3ddu s THR 179 Ca 0.43 0.68 0.25 0.00 -1.18 0.00 0.00 61.69 61.86 3ddu s THR 179 Cb -0.24 -3.31 0.40 0.00 1.34 0.00 0.00 72.50 70.69 3ddu s THR 179 CO 0.30 -0.07 1.83 1.41 -0.54 0.00 0.00 174.62 177.55 3ddu n HIS 180 N -0.93 0.00 0.83 3.99 -0.00 -1.26 -1.52 115.22 116.33 3ddu n HIS 180 Ca 0.10 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.92 3ddu n HIS 180 Cb 0.49 -0.32 0.48 0.00 -0.00 0.00 0.00 29.99 30.64 3ddu n HIS 180 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 3ddu n ASP 181 N -1.32 0.00 -0.06 0.41 5.75 -1.26 -4.87 116.55 115.20 3ddu n ASP 181 Ca 0.11 0.28 -0.01 0.00 -0.01 0.00 0.00 54.79 55.16 3ddu n ASP 181 Cb 0.21 -0.41 -0.00 0.00 -1.03 0.00 0.00 41.12 39.89 3ddu n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ddu n GLY 182 N 0.57 0.38 0.10 6.12 0.00 -0.58 -4.91 105.19 106.88 3ddu n GLY 182 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3ddu n GLY 182 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ddu h LYS 183 N 0.56 0.14 0.00 1.61 3.64 -1.91 -3.46 116.57 117.15 3ddu h LYS 183 Ca -0.02 -0.20 0.18 0.00 -1.27 0.00 0.00 60.65 59.34 3ddu h LYS 183 Cb 0.39 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 3ddu h LYS 183 CO 0.03 1.01 0.47 0.41 -2.27 0.00 0.00 179.45 179.10 3ddu n GLY 184 N 1.14 0.46 2.94 5.01 0.00 -1.26 -0.90 105.19 112.58 3ddu n GLY 184 Ca -0.03 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 3ddu n GLY 184 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ddu s MET 185 N -2.01 0.09 0.38 1.61 1.75 -0.24 -1.83 119.30 119.06 3ddu s MET 185 Ca 0.16 0.24 -0.24 0.00 -1.25 0.00 0.00 55.69 54.60 3ddu s MET 185 Cb -0.01 -0.07 -0.09 0.00 2.84 0.00 0.00 34.83 37.50 3ddu s MET 185 CO 0.00 -0.09 1.03 -0.06 -0.65 0.00 0.00 175.02 175.25 3ddu s PHE 186 N 0.62 3.34 0.30 4.11 0.08 0.51 -0.88 117.98 126.05 3ddu s PHE 186 Ca -0.05 1.66 -0.20 0.00 0.12 0.00 0.00 56.93 58.47 3ddu s PHE 186 Cb -0.06 -3.10 0.02 0.00 -0.57 0.00 0.00 43.02 39.31 3ddu s PHE 186 CO -0.03 -0.49 0.73 1.52 -0.10 0.00 0.00 175.22 176.85 3ddu s TYR 187 N -1.65 -0.14 0.09 0.36 1.13 -0.53 -2.02 117.35 114.60 3ddu s TYR 187 Ca 0.56 -0.35 0.08 0.00 -1.41 0.00 0.00 57.07 55.95 3ddu s TYR 187 Cb -0.22 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 3ddu s TYR 187 CO 0.27 -1.29 -0.17 -0.80 -2.51 0.00 0.00 175.55 171.05 3ddu s ASN 188 N -2.94 3.91 0.08 -0.18 -0.87 -1.26 -0.83 114.94 112.85 3ddu s ASN 188 Ca 0.12 -0.50 -0.04 0.00 -1.57 0.00 0.00 52.86 50.86 3ddu s ASN 188 Cb -0.06 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.25 40.55 3ddu s ASN 188 CO 0.08 0.20 0.08 -0.94 -2.57 0.00 0.00 177.10 173.95 3ddu s SER 189 N -1.94 0.31 0.12 -1.22 1.04 -0.90 -4.00 113.70 107.09 3ddu s SER 189 Ca 0.17 -0.91 0.04 0.00 0.48 0.00 0.00 55.95 55.73 3ddu s SER 189 Cb -0.11 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 3ddu s SER 189 CO 0.09 -0.68 0.12 -0.31 0.98 0.00 0.00 173.24 173.44 3ddu s TYR 190 N -3.92 3.21 0.69 5.02 2.02 -0.53 -1.14 117.35 122.69 3ddu s TYR 190 Ca 0.10 0.05 -0.14 0.00 -0.37 0.00 0.00 57.07 56.71 3ddu s TYR 190 Cb 0.07 -1.59 0.02 0.00 -0.40 0.00 0.00 41.96 40.05 3ddu s TYR 190 CO -0.08 0.52 1.12 -1.25 -1.57 0.00 0.00 175.55 174.30 3ddu s PRO 191 N -2.72 2.60 0.35 -1.71 0.04 -1.26 -4.90 135.00 127.40 3ddu s PRO 191 Ca 0.31 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 3ddu s PRO 191 Cb -0.11 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 3ddu s PRO 191 CO 0.23 -1.41 1.16 1.04 0.04 0.00 0.00 177.00 178.06 3ddu n GLN 192 N -2.64 1.75 -4.16 4.56 3.00 -1.26 -5.01 117.38 113.61 3ddu n GLN 192 Ca 0.11 0.62 -0.15 0.00 -0.01 0.00 0.00 57.00 57.56 3ddu n GLN 192 Cb 0.52 -2.15 -0.11 0.00 0.00 0.00 0.00 30.24 28.50 3ddu n GLN 192 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 3ddu s GLN 193 N -1.86 0.81 0.68 -1.09 -2.07 -1.26 -5.14 119.66 109.73 3ddu s GLN 193 Ca 0.58 -1.06 -0.15 0.00 -1.82 0.00 0.00 55.36 52.91 3ddu s GLN 193 Cb -0.59 -0.59 0.01 0.00 -1.09 0.00 0.00 33.01 30.74 3ddu s GLN 193 CO 0.60 0.11 1.16 -0.51 -1.32 0.00 0.00 175.29 175.33 3ddu s ASP 194 N -2.15 4.74 0.03 12.60 1.01 -1.26 -4.82 116.67 126.82 3ddu s ASP 194 Ca 0.02 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.47 3ddu s ASP 194 Cb -0.06 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3ddu s ASP 194 CO 0.01 -1.89 0.00 0.61 0.21 0.00 0.00 175.17 174.11 3ddu n GLY 195 N -0.00 -1.61 3.86 0.21 0.00 -1.26 -4.92 105.19 101.46 3ddu n GLY 195 Ca 0.12 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 3ddu n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddu s LYS 196 N 0.00 3.88 -0.40 1.61 1.02 -1.26 -5.02 119.74 119.57 3ddu s LYS 196 Ca 0.00 0.65 0.12 0.00 0.02 0.00 0.00 55.97 56.76 3ddu s LYS 196 Cb 0.00 -2.33 0.38 0.00 -0.52 0.00 0.00 37.83 35.36 3ddu s LYS 196 CO 0.00 -0.06 0.85 0.43 -0.92 0.00 0.00 175.35 175.66 3ddu n SER 197 N -1.16 1.93 0.00 2.83 7.64 -1.26 -4.69 113.62 118.92 3ddu n SER 197 Ca 0.04 -3.11 0.00 0.00 1.01 0.00 0.00 58.87 56.81 3ddu n SER 197 Cb 0.54 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3ddu n SER 197 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3ddu n ASP 198 N 0.04 1.14 0.00 6.43 5.75 -1.26 -4.97 116.55 123.67 3ddu n ASP 198 Ca 0.23 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 3ddu n ASP 198 Cb 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 3ddu n ASP 198 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ddu n GLY 199 N -0.11 0.17 0.01 6.12 0.00 -1.26 -4.77 105.19 105.35 3ddu n GLY 199 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3ddu n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ddu n THR 200 N -1.83 0.07 -2.06 2.61 -2.24 -1.26 -3.81 114.28 105.76 3ddu n THR 200 Ca 0.00 -0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 3ddu n THR 200 Cb 0.00 0.45 0.04 0.00 -2.10 0.00 0.00 70.33 68.72 3ddu n THR 200 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ddu s GLU 201 N -3.09 2.83 0.00 -0.78 1.03 -1.26 -4.81 118.70 112.61 3ddu s GLU 201 Ca 0.07 0.27 0.08 0.00 0.03 0.00 0.00 54.97 55.42 3ddu s GLU 201 Cb 0.16 -2.11 0.08 0.00 -0.80 0.00 0.00 34.13 31.46 3ddu s GLU 201 CO 0.80 -0.95 0.79 0.25 -1.33 0.00 0.00 175.26 174.81 3ddu n THR 202 N -2.88 0.07 -1.65 1.83 -2.24 -1.26 -4.89 114.28 103.27 3ddu n THR 202 Ca 0.06 -0.54 -0.46 0.00 -2.27 0.00 0.00 64.05 60.84 3ddu n THR 202 Cb 0.58 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 3ddu n THR 202 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3ddu n SER 203 N 0.44 2.44 -4.77 3.42 7.64 -1.26 -1.22 113.62 120.31 3ddu n SER 203 Ca 0.05 1.13 -0.39 0.00 1.01 0.00 0.00 58.87 60.68 3ddu n SER 203 Cb 0.21 -1.37 -0.00 0.00 -1.01 0.00 0.00 64.21 62.04 3ddu n SER 203 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3ddu s THR 204 N 0.06 2.71 -0.37 0.44 -1.32 -1.26 -2.64 115.64 113.26 3ddu s THR 204 Ca 0.71 0.60 -0.11 0.00 -1.21 0.00 0.00 61.69 61.68 3ddu s THR 204 Cb -0.71 -3.34 0.02 0.00 -1.51 0.00 0.00 72.50 66.96 3ddu s THR 204 CO 0.49 0.06 0.21 0.20 -2.21 0.00 0.00 174.62 173.37 3ddu s ASN 205 N -0.91 5.77 0.14 8.08 0.02 -0.40 -4.82 114.94 122.82 3ddu s ASN 205 Ca 0.59 -0.88 0.02 0.00 -1.02 0.00 0.00 52.86 51.57 3ddu s ASN 205 Cb -0.36 -2.04 -0.04 0.00 0.02 0.00 0.00 41.25 38.82 3ddu s ASN 205 CO 0.45 -0.36 -0.02 -0.76 0.02 0.00 0.00 177.10 176.43 3ddu s LEU 206 N 1.59 2.26 -1.17 0.60 1.43 -1.26 -4.87 118.68 117.26 3ddu s LEU 206 Ca 0.03 -1.10 -0.08 0.00 -1.03 0.00 0.00 54.13 51.95 3ddu s LEU 206 Cb -0.19 -0.04 0.01 0.00 0.03 0.00 0.00 46.19 46.00 3ddu s LEU 206 CO 0.07 -0.53 1.02 1.41 0.23 0.00 0.00 176.35 178.55 3ddu n HIS 207 N -0.14 -2.49 -1.82 0.29 8.25 0.25 -4.56 115.22 115.00 3ddu n HIS 207 Ca -0.09 0.88 -0.41 0.00 -0.26 0.00 0.00 57.72 57.84 3ddu n HIS 207 Cb 0.62 -4.49 -0.01 0.00 1.12 0.00 0.00 29.99 27.23 3ddu n HIS 207 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3ddu s GLN 208 N -6.13 4.14 0.26 -0.41 0.74 -1.26 -4.41 119.66 112.59 3ddu s GLN 208 Ca 0.50 2.54 0.11 0.00 0.05 0.00 0.00 55.36 58.56 3ddu s GLN 208 Cb -0.22 -3.01 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 3ddu s GLN 208 CO 0.63 -0.56 -0.18 0.15 -0.55 0.00 0.00 175.29 174.78 3ddu s LYS 209 N -1.09 1.58 -0.25 1.67 1.02 -0.29 -4.66 119.74 117.71 3ddu s LYS 209 Ca 0.59 -1.72 -0.09 0.00 0.02 0.00 0.00 55.97 54.76 3ddu s LYS 209 Cb -0.46 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 3ddu s LYS 209 CO 0.53 0.28 0.12 -1.17 -0.92 0.00 0.00 175.35 174.19 3ddu s LEU 210 N -3.46 3.75 0.31 3.17 2.96 -0.57 -2.13 118.68 122.72 3ddu s LEU 210 Ca 0.28 -0.08 0.10 0.00 -0.22 0.00 0.00 54.13 54.21 3ddu s LEU 210 Cb -0.03 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3ddu s LEU 210 CO 0.13 -0.01 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.76 3ddu s TYR 211 N 1.50 2.47 -0.14 5.38 2.02 -0.01 -0.71 117.35 127.86 3ddu s TYR 211 Ca 0.06 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3ddu s TYR 211 Cb -0.15 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.15 3ddu s TYR 211 CO 0.06 0.59 -0.16 -0.47 -1.57 0.00 0.00 175.55 174.01 3ddu s TYR 212 N -2.50 2.20 -0.26 2.71 5.04 0.43 -1.45 117.35 123.51 3ddu s TYR 212 Ca 0.32 -1.17 -0.09 0.00 -2.44 0.00 0.00 57.07 53.69 3ddu s TYR 212 Cb -0.02 -1.59 -0.04 0.00 0.35 0.00 0.00 41.96 40.66 3ddu s TYR 212 CO 0.18 -0.62 0.13 -1.58 -1.34 0.00 0.00 175.55 172.32 3ddu s HIS 213 N 1.26 3.17 -0.15 4.97 5.65 -0.06 -1.30 115.29 128.83 3ddu s HIS 213 Ca 0.00 -0.11 -0.29 0.00 0.25 0.00 0.00 55.06 54.91 3ddu s HIS 213 Cb -0.14 -2.29 -0.01 0.00 -1.18 0.00 0.00 32.58 28.96 3ddu s HIS 213 CO -0.07 -0.21 0.98 0.08 -0.65 0.00 0.00 174.74 174.87 3ddu s VAL 214 N 1.56 4.78 0.29 0.89 1.01 -1.26 -1.08 120.40 126.59 3ddu s VAL 214 Ca 0.06 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 3ddu s VAL 214 Cb -0.15 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 31.83 3ddu s VAL 214 CO 0.07 -0.04 1.60 -0.11 0.00 0.00 0.00 175.10 176.63 3ddu n LEU 215 N 5.36 4.31 0.00 3.92 7.94 -0.08 -2.52 117.00 135.92 3ddu n LEU 215 Ca 0.09 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 3ddu n LEU 215 Cb 0.48 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.84 3ddu n LEU 215 CO 0.51 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.54 3ddu n GLY 216 N 2.30 0.75 3.43 -3.96 0.00 -1.26 -4.99 105.19 101.47 3ddu n GLY 216 Ca 0.09 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 3ddu n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddu s THR 217 N -2.00 1.34 0.39 2.61 -4.23 -1.05 -5.09 115.64 107.61 3ddu s THR 217 Ca 0.00 -2.04 -0.23 0.00 -1.18 0.00 0.00 61.69 58.24 3ddu s THR 217 Cb 0.00 -2.63 -0.11 0.00 1.34 0.00 0.00 72.50 71.10 3ddu s THR 217 CO 0.00 -0.14 0.95 -1.81 -0.54 0.00 0.00 174.62 173.08 3ddu s ASP 218 N -3.46 7.07 0.50 3.99 1.01 -1.26 -4.83 116.67 119.69 3ddu s ASP 218 Ca 0.33 1.75 0.22 0.00 0.71 0.00 0.00 52.55 55.56 3ddu s ASP 218 Cb 0.07 -2.55 1.28 0.00 1.01 0.00 0.00 42.92 42.72 3ddu s ASP 218 CO 0.14 -0.26 1.98 -0.61 0.21 0.00 0.00 175.17 176.62 3ddu h GLN 219 N 2.36 0.13 -0.00 8.23 4.15 -1.96 -0.50 115.11 127.52 3ddu h GLN 219 Ca -0.48 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3ddu h GLN 219 Cb 1.18 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 3ddu h GLN 219 CO 0.62 0.09 0.03 0.66 -1.93 0.00 0.00 178.83 178.30 3ddu h SER 220 N 0.14 0.00 -0.02 -0.69 4.64 -1.95 -0.82 113.55 114.84 3ddu h SER 220 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3ddu h SER 220 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3ddu h SER 220 CO -0.04 0.00 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.30 3ddu n GLU 221 N -3.09 2.02 -1.84 4.77 -0.58 -0.19 -4.99 120.64 116.74 3ddu n GLU 221 Ca -0.03 -1.48 -0.37 0.00 -0.42 0.00 0.00 57.16 54.86 3ddu n GLU 221 Cb 0.10 -1.47 0.05 0.00 -0.57 0.00 0.00 31.44 29.54 3ddu n GLU 221 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ddu s ASP 222 N -2.00 5.11 -0.14 1.62 1.01 -0.32 -4.96 116.67 116.99 3ddu s ASP 222 Ca 0.33 2.64 -0.19 0.00 0.71 0.00 0.00 52.55 56.03 3ddu s ASP 222 Cb 0.20 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 3ddu s ASP 222 CO 0.32 -1.67 0.53 -0.63 0.21 0.00 0.00 175.17 173.93 3ddu s ILE 223 N -1.39 5.13 -0.24 0.77 -1.09 -0.42 -4.87 121.20 119.10 3ddu s ILE 223 Ca 0.75 1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 59.92 3ddu s ILE 223 Cb -0.37 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 3ddu s ILE 223 CO 0.42 0.25 1.06 -0.22 -1.23 0.00 0.00 174.94 175.23 3ddu s LEU 224 N 1.05 4.08 -0.09 2.97 2.96 -1.26 -0.43 118.68 127.96 3ddu s LEU 224 Ca 0.27 1.35 0.11 0.00 -0.22 0.00 0.00 54.13 55.64 3ddu s LEU 224 Cb -0.16 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.84 3ddu s LEU 224 CO 0.11 -0.71 0.09 0.00 -1.32 0.00 0.00 176.35 174.52 3ddu s ALA 226 N -2.40 -1.29 0.07 0.00 0.00 -1.12 -2.74 121.76 114.27 3ddu s ALA 226 Ca -0.05 1.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 3ddu s ALA 226 Cb 0.04 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.29 3ddu s ALA 226 CO 0.48 -0.25 0.27 -1.83 0.00 0.00 0.00 175.76 174.42 3ddu s GLU 227 N 0.47 0.85 -0.48 0.00 -1.05 -1.26 -1.51 118.70 115.73 3ddu s GLU 227 Ca -0.02 -0.72 0.07 0.00 -0.15 0.00 0.00 54.97 54.16 3ddu s GLU 227 Cb -0.04 0.36 0.25 0.00 -0.44 0.00 0.00 34.13 34.26 3ddu s GLU 227 CO -0.02 -0.28 0.60 1.19 0.95 0.00 0.00 175.26 177.70 3ddu n PHE 228 N 0.21 1.03 0.21 4.83 3.72 -1.26 -4.97 117.46 121.24 3ddu n PHE 228 Ca -0.17 -3.77 0.07 0.00 -0.05 0.00 0.00 57.45 53.53 3ddu n PHE 228 Cb 0.61 -0.42 0.59 0.00 -0.94 0.00 0.00 39.48 39.32 3ddu n PHE 228 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ddu h PRO 229 N 4.05 0.09 -0.08 -1.08 0.13 -1.99 -0.80 132.00 132.33 3ddu h PRO 229 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ddu h PRO 229 Cb 0.80 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3ddu h PRO 229 CO 0.59 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 3ddu n ASP 230 N -4.51 1.75 -3.39 1.44 8.00 -1.26 -4.47 116.55 114.10 3ddu n ASP 230 Ca -0.02 -1.63 -0.26 0.00 0.71 0.00 0.00 54.79 53.59 3ddu n ASP 230 Cb 0.10 -0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 3ddu n ASP 230 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ddu n GLU 231 N 0.37 0.56 0.33 -1.24 -0.58 -0.30 -5.00 120.64 114.77 3ddu n GLU 231 Ca 0.18 -3.37 0.21 0.00 -0.42 0.00 0.00 57.16 53.75 3ddu n GLU 231 Cb 0.38 -1.64 1.12 0.00 -0.57 0.00 0.00 31.44 30.73 3ddu n GLU 231 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ddu h PRO 232 N 5.15 0.00 -0.00 3.49 0.11 -1.78 -1.79 132.00 137.18 3ddu h PRO 232 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3ddu h PRO 232 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3ddu h PRO 232 CO 0.44 0.00 -0.42 1.63 -0.21 0.00 0.00 178.00 179.44 3ddu n LYS 233 N -3.24 0.17 -2.42 1.05 5.02 -1.26 -0.58 118.16 116.90 3ddu n LYS 233 Ca -0.03 -0.09 -0.37 0.00 -2.02 0.00 0.00 58.31 55.80 3ddu n LYS 233 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3ddu n LYS 233 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3ddu s TRP 234 N -2.90 3.10 -0.08 2.13 0.52 -0.67 -4.60 118.94 116.44 3ddu s TRP 234 Ca 0.14 1.59 -0.02 0.00 0.02 0.00 0.00 56.10 57.83 3ddu s TRP 234 Cb 0.18 -3.24 0.03 0.00 -1.15 0.00 0.00 33.47 29.30 3ddu s TRP 234 CO 0.65 -1.01 0.04 -1.64 0.02 0.00 0.00 176.95 175.01 3ddu s MET 235 N -2.59 0.28 -0.33 4.98 -1.94 -0.14 -4.36 119.30 115.20 3ddu s MET 235 Ca 0.60 0.16 -0.07 0.00 -1.71 0.00 0.00 55.69 54.67 3ddu s MET 235 Cb -0.25 -0.96 0.03 0.00 2.01 0.00 0.00 34.83 35.66 3ddu s MET 235 CO 0.31 -0.38 0.12 0.20 -0.01 0.00 0.00 175.02 175.26 3ddu s GLY 236 N 2.06 1.85 -0.13 -0.03 0.00 -1.26 -0.67 107.32 109.14 3ddu s GLY 236 Ca 0.04 -1.66 -0.07 0.00 0.00 0.00 0.00 44.72 43.03 3ddu s GLY 236 CO -0.05 0.76 0.12 -0.32 0.00 0.00 0.00 173.10 173.60 3ddu s GLY 237 N 1.46 2.10 0.03 0.20 0.00 -0.25 -4.65 107.32 106.20 3ddu s GLY 237 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.06 3ddu s GLY 237 CO 0.04 -0.33 0.07 0.00 0.00 0.00 0.00 173.10 172.87 3ddu s ALA 238 N -0.81 3.53 0.02 3.20 0.00 -1.26 -0.67 121.76 125.77 3ddu s ALA 238 Ca 0.14 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 3ddu s ALA 238 Cb -0.12 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 3ddu s ALA 238 CO 0.03 0.71 0.10 -1.83 0.00 0.00 0.00 175.76 174.77 3ddu s GLU 239 N -1.97 0.50 0.04 0.00 -1.05 -0.68 -4.62 118.70 110.93 3ddu s GLU 239 Ca 0.25 -0.57 -0.13 0.00 -0.15 0.00 0.00 54.97 54.37 3ddu s GLU 239 Cb -0.12 0.20 -0.06 0.00 -0.44 0.00 0.00 34.13 33.71 3ddu s GLU 239 CO 0.17 -0.12 0.41 -0.51 0.95 0.00 0.00 175.26 176.16 3ddu s LEU 240 N -1.69 4.42 0.84 1.83 2.01 -1.26 -0.52 118.68 124.31 3ddu s LEU 240 Ca -0.11 0.91 -0.12 0.00 0.01 0.00 0.00 54.13 54.82 3ddu s LEU 240 Cb -0.05 -2.76 0.10 0.00 0.01 0.00 0.00 46.19 43.49 3ddu s LEU 240 CO -0.01 0.26 1.19 -0.94 1.01 0.00 0.00 176.35 177.86 3ddu s SER 241 N -1.35 3.35 0.48 2.29 1.04 -0.01 -4.87 113.70 114.63 3ddu s SER 241 Ca 0.28 2.33 0.13 0.00 0.48 0.00 0.00 55.95 59.16 3ddu s SER 241 Cb -0.16 -2.58 1.14 0.00 0.10 0.00 0.00 66.02 64.52 3ddu s SER 241 CO 0.15 -2.83 2.12 0.44 0.98 0.00 0.00 173.24 174.10 3ddu h ASP 242 N -1.21 0.16 0.04 7.02 3.32 -1.92 0.20 116.42 124.02 3ddu h ASP 242 Ca -0.45 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3ddu h ASP 242 Cb 1.29 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3ddu h ASP 242 CO 0.45 0.11 -0.01 -0.90 -1.72 0.00 0.00 179.24 177.16 3ddu n ASP 243 N -4.52 0.68 0.00 6.45 5.68 -1.26 -4.93 116.55 118.65 3ddu n ASP 243 Ca -0.01 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 3ddu n ASP 243 Cb 0.09 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3ddu n ASP 243 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ddu n GLY 244 N 1.11 1.47 0.11 6.12 0.00 0.06 -4.90 105.19 109.16 3ddu n GLY 244 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 3ddu n GLY 244 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ddu h ARG 245 N 2.45 0.21 -6.56 1.61 2.43 -1.92 -3.43 114.38 109.17 3ddu h ARG 245 Ca 0.00 -0.31 -0.70 0.00 -0.81 0.00 0.00 59.98 58.16 3ddu h ARG 245 Cb 0.00 0.11 -0.29 0.00 -0.42 0.00 0.00 29.97 29.36 3ddu h ARG 245 CO 0.00 1.10 -0.88 0.71 -1.51 0.00 0.00 179.97 179.39 3ddu s TYR 246 N -2.86 2.37 -0.19 2.20 1.51 -1.26 -0.72 117.35 118.40 3ddu s TYR 246 Ca -0.03 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.44 3ddu s TYR 246 Cb 0.09 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 3ddu s TYR 246 CO 0.86 -0.02 0.43 0.08 -1.11 0.00 0.00 175.55 175.78 3ddu s VAL 247 N -0.60 5.18 -0.22 0.71 1.01 -0.10 -0.83 120.40 125.55 3ddu s VAL 247 Ca 0.10 0.79 -0.08 0.00 0.00 0.00 0.00 61.98 62.79 3ddu s VAL 247 Cb -0.10 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3ddu s VAL 247 CO -0.01 0.25 0.08 -0.76 0.00 0.00 0.00 175.10 174.66 3ddu s LEU 248 N 1.26 3.69 -0.29 3.92 1.43 0.32 -0.76 118.68 128.25 3ddu s LEU 248 Ca 0.21 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 3ddu s LEU 248 Cb -0.15 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 3ddu s LEU 248 CO 0.08 0.07 0.12 -0.22 0.23 0.00 0.00 176.35 176.64 3ddu s LEU 249 N 1.00 3.88 -0.37 1.79 2.96 0.31 -1.68 118.68 126.56 3ddu s LEU 249 Ca 0.04 -0.41 -0.13 0.00 -0.22 0.00 0.00 54.13 53.41 3ddu s LEU 249 Cb -0.14 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.59 3ddu s LEU 249 CO 0.03 -0.14 0.25 -0.44 -1.32 0.00 0.00 176.35 174.73 3ddu s SER 250 N 1.61 5.95 -0.23 3.68 0.01 0.16 -1.39 113.70 123.48 3ddu s SER 250 Ca 0.05 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 3ddu s SER 250 Cb -0.16 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 3ddu s SER 250 CO 0.05 -0.35 0.23 -0.63 0.41 0.00 0.00 173.24 172.96 3ddu s ILE 251 N 1.65 5.31 0.09 1.44 1.01 -0.65 -1.09 121.20 128.96 3ddu s ILE 251 Ca 0.05 0.34 0.08 0.00 0.00 0.00 0.00 60.65 61.11 3ddu s ILE 251 Cb -0.18 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3ddu s ILE 251 CO 0.09 0.31 -0.15 -0.13 0.00 0.00 0.00 174.94 175.06 3ddu s ARG 252 N 1.21 1.99 0.00 2.79 0.52 0.16 -1.12 118.95 124.50 3ddu s ARG 252 Ca 0.11 -1.07 0.10 0.00 -0.52 0.00 0.00 55.73 54.35 3ddu s ARG 252 Cb -0.14 -2.21 0.02 0.00 0.52 0.00 0.00 34.95 33.13 3ddu s ARG 252 CO 0.06 0.51 0.67 -0.85 0.02 0.00 0.00 175.30 175.71 3ddu n GLU 253 N 0.92 1.68 -3.67 3.54 0.28 -1.26 -0.96 120.64 121.16 3ddu n GLU 253 Ca -0.15 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 56.13 3ddu n GLU 253 Cb 0.52 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 32.29 3ddu n GLU 253 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ddu n GLY 254 N 0.80 -0.98 0.38 -1.84 0.00 -1.26 -4.78 105.19 97.51 3ddu n GLY 254 Ca 0.05 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 45.14 3ddu n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddu s ASP 256 N -1.54 6.20 -1.38 0.00 -4.77 -1.26 -4.90 116.67 109.02 3ddu s ASP 256 Ca 0.30 2.69 -0.13 0.00 -3.30 0.00 0.00 52.55 52.11 3ddu s ASP 256 Cb 0.15 -2.64 -0.04 0.00 -1.09 0.00 0.00 42.92 39.31 3ddu s ASP 256 CO 0.24 -0.93 2.43 -0.81 0.70 0.00 0.00 175.17 176.80 3ddu n PRO 257 N 0.01 2.90 -3.88 2.11 -0.04 -1.26 -4.80 135.00 130.04 3ddu n PRO 257 Ca 0.04 -2.25 -0.10 0.00 -0.04 0.00 0.00 63.50 61.15 3ddu n PRO 257 Cb 0.43 -2.99 -0.09 0.00 -0.04 0.00 0.00 33.50 30.82 3ddu n PRO 257 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ddu s VAL 258 N 3.09 0.12 -0.10 0.52 -7.23 -1.26 -3.26 120.40 112.27 3ddu s VAL 258 Ca 0.55 -0.99 -0.27 0.00 -1.81 0.00 0.00 61.98 59.46 3ddu s VAL 258 Cb 0.15 -0.93 0.06 0.00 0.56 0.00 0.00 36.38 36.22 3ddu s VAL 258 CO -0.05 -0.55 0.63 0.54 -0.31 0.00 0.00 175.10 175.36 3ddu s ASN 259 N -2.15 -0.61 0.59 4.85 4.22 -0.15 -4.73 114.94 116.96 3ddu s ASN 259 Ca -0.04 0.82 -0.17 0.00 -2.14 0.00 0.00 52.86 51.33 3ddu s ASN 259 Cb -0.01 0.75 -0.04 0.00 1.28 0.00 0.00 41.25 43.24 3ddu s ASN 259 CO -0.05 -0.48 1.09 -0.13 -2.04 0.00 0.00 177.10 175.49 3ddu s ARG 260 N -0.76 3.22 -0.21 3.55 0.52 -0.27 -4.62 118.95 120.38 3ddu s ARG 260 Ca -0.08 1.39 -0.02 0.00 -0.52 0.00 0.00 55.73 56.50 3ddu s ARG 260 Cb -0.02 -2.01 0.06 0.00 0.52 0.00 0.00 34.95 33.50 3ddu s ARG 260 CO 0.07 -0.91 0.01 -1.17 0.02 0.00 0.00 175.30 173.31 3ddu s LEU 261 N -4.32 1.63 0.24 2.53 1.98 -0.19 -1.64 118.68 118.91 3ddu s LEU 261 Ca 0.67 -0.93 0.08 0.00 -2.89 0.00 0.00 54.13 51.06 3ddu s LEU 261 Cb -0.19 -0.78 -0.04 0.00 0.66 0.00 0.00 46.19 45.83 3ddu s LEU 261 CO 0.34 -0.28 0.06 0.26 -1.89 0.00 0.00 176.35 174.83 3ddu s TRP 262 N 1.71 2.85 0.07 5.38 0.51 -0.49 -1.15 118.94 127.83 3ddu s TRP 262 Ca -0.03 -0.17 0.02 0.00 -2.12 0.00 0.00 56.10 53.80 3ddu s TRP 262 Cb -0.18 -1.30 -0.04 0.00 -0.81 0.00 0.00 33.47 31.15 3ddu s TRP 262 CO -0.07 0.57 -0.07 1.52 -0.51 0.00 0.00 176.95 178.39 3ddu s TYR 263 N -2.14 0.77 -0.11 -1.98 -0.85 -0.19 -0.53 117.35 112.31 3ddu s TYR 263 Ca 0.31 -0.78 -0.00 0.00 -0.52 0.00 0.00 57.07 56.08 3ddu s TYR 263 Cb -0.07 -0.46 0.02 0.00 0.38 0.00 0.00 41.96 41.83 3ddu s TYR 263 CO 0.21 -0.15 -0.08 0.00 -1.52 0.00 0.00 175.55 174.01 3ddu s ASP 265 N 1.67 6.42 0.53 0.00 -1.08 -1.26 -0.93 116.67 122.02 3ddu s ASP 265 Ca 0.04 0.25 0.26 0.00 -0.52 0.00 0.00 52.55 52.59 3ddu s ASP 265 Cb -0.13 -2.55 1.50 0.00 -1.46 0.00 0.00 42.92 40.29 3ddu s ASP 265 CO -0.08 -1.48 2.12 -0.07 0.52 0.00 0.00 175.17 176.18 3ddu h LEU 266 N 12.02 0.00 -2.05 -1.34 3.38 -1.27 -0.12 115.31 125.93 3ddu h LEU 266 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3ddu h LEU 266 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3ddu h LEU 266 CO 1.17 0.09 -0.08 -0.61 0.09 0.00 0.00 178.44 179.10 3ddu h GLN 267 N 0.00 0.00 -0.01 1.13 4.15 -1.91 -2.49 115.11 115.98 3ddu h GLN 267 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ddu h GLN 267 Cb 0.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.91 3ddu h GLN 267 CO 0.01 0.08 -0.09 1.04 -1.93 0.00 0.00 178.83 177.94 3ddu n GLN 268 N -3.48 1.21 -2.18 1.69 1.13 -0.06 -4.88 117.38 110.82 3ddu n GLN 268 Ca -0.02 -0.62 -0.40 0.00 -1.94 0.00 0.00 57.00 54.02 3ddu n GLN 268 Cb 0.21 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 3ddu n GLN 268 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3ddu s GLU 269 N -2.22 4.18 0.22 -1.09 0.41 -0.94 -4.93 118.70 114.33 3ddu s GLU 269 Ca 0.33 2.06 -0.04 0.00 -0.41 0.00 0.00 54.97 56.91 3ddu s GLU 269 Cb 0.20 -2.88 0.19 0.00 -1.78 0.00 0.00 34.13 29.87 3ddu s GLU 269 CO 0.41 -0.28 1.64 0.77 -0.49 0.00 0.00 175.26 177.31 3ddu h SER 270 N 3.01 0.79 -0.69 -0.19 0.02 -1.90 -3.38 113.55 111.20 3ddu h SER 270 Ca -0.49 -0.28 -0.32 0.00 -0.84 0.00 0.00 61.79 59.86 3ddu h SER 270 Cb 1.23 -0.22 -0.25 0.00 0.14 0.00 0.00 62.40 63.31 3ddu h SER 270 CO 0.64 0.98 -0.73 -0.24 -1.14 0.00 0.00 176.83 176.34 3ddu n SER 271 N -4.12 -0.96 -0.29 3.07 2.88 -1.26 -5.14 113.62 107.80 3ddu n SER 271 Ca 0.00 -3.21 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 3ddu n SER 271 Cb 0.42 0.79 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 3ddu n SER 271 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ddu n GLY 272 N 0.15 -0.36 3.52 0.46 0.00 -1.26 -4.45 105.19 103.25 3ddu n GLY 272 Ca 0.11 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 3ddu n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddu s ILE 273 N 0.00 4.08 0.00 -0.61 1.01 -1.26 -4.77 121.20 119.65 3ddu s ILE 273 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3ddu s ILE 273 Cb 0.00 -4.74 0.00 0.00 0.01 0.00 0.00 42.46 37.73 3ddu s ILE 273 CO 0.00 -1.51 0.07 0.00 0.00 0.00 0.00 174.94 173.50 3ddu n ALA 274 N 8.35 1.37 0.00 9.38 0.00 -1.26 -4.98 120.51 133.36 3ddu n ALA 274 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3ddu n ALA 274 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3ddu n ALA 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddu n GLY 275 N 0.50 -0.76 3.69 0.00 0.00 -1.26 -4.93 105.19 102.43 3ddu n GLY 275 Ca 0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 3ddu n GLY 275 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ddu n ILE 276 N 0.29 0.34 -1.44 -0.61 2.08 -1.09 -4.35 119.36 114.58 3ddu n ILE 276 Ca 0.00 -0.06 -0.30 0.00 0.56 0.00 0.00 62.75 62.95 3ddu n ILE 276 Cb 0.00 -2.09 0.10 0.00 -0.75 0.00 0.00 39.64 36.90 3ddu n ILE 276 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3ddu s LEU 277 N 2.63 2.56 -1.39 1.39 1.43 -1.11 -4.91 118.68 119.27 3ddu s LEU 277 Ca 0.82 1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 55.18 3ddu s LEU 277 Cb -0.49 -3.98 0.07 0.00 0.03 0.00 0.00 46.19 41.81 3ddu s LEU 277 CO 0.37 -2.13 2.04 0.29 0.23 0.00 0.00 176.35 177.15 3ddu n LYS 278 N -3.55 3.05 -2.14 1.70 5.02 -1.26 -4.96 118.16 116.02 3ddu n LYS 278 Ca 0.07 -2.92 -0.41 0.00 -2.02 0.00 0.00 58.31 53.02 3ddu n LYS 278 Cb 0.56 -3.28 -0.03 0.00 -0.02 0.00 0.00 35.03 32.26 3ddu n LYS 278 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3ddu s TRP 279 N 2.97 3.19 -0.25 2.13 0.52 -1.26 -4.64 118.94 121.60 3ddu s TRP 279 Ca 0.47 1.10 -0.08 0.00 0.02 0.00 0.00 56.10 57.61 3ddu s TRP 279 Cb 0.11 -3.69 -0.04 0.00 -1.15 0.00 0.00 33.47 28.70 3ddu s TRP 279 CO -0.04 -2.24 0.10 0.08 0.02 0.00 0.00 176.95 174.87 3ddu s VAL 280 N 0.30 4.60 -1.22 4.03 1.01 0.97 -4.94 120.40 125.15 3ddu s VAL 280 Ca 0.59 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 3ddu s VAL 280 Cb -0.38 -3.15 0.21 0.00 0.00 0.00 0.00 36.38 33.05 3ddu s VAL 280 CO 0.38 0.34 1.70 0.29 0.00 0.00 0.00 175.10 177.80 3ddu n LYS 281 N 4.75 3.80 0.13 2.72 5.02 -1.26 -1.02 118.16 132.30 3ddu n LYS 281 Ca -0.16 -3.85 -0.13 0.00 -2.02 0.00 0.00 58.31 52.14 3ddu n LYS 281 Cb 0.52 -2.82 -0.06 0.00 -0.02 0.00 0.00 35.03 32.64 3ddu n LYS 281 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3ddu h LEU 282 N 7.43 -0.88 -7.67 -0.35 5.85 -1.88 -3.35 115.31 114.47 3ddu h LEU 282 Ca 0.33 0.10 -0.65 0.00 0.84 0.00 0.00 57.88 58.50 3ddu h LEU 282 Cb 0.66 0.33 -0.39 0.00 0.37 0.00 0.00 40.66 41.63 3ddu h LEU 282 CO 1.49 -0.41 -0.76 -0.63 -0.34 0.00 0.00 178.44 177.79 3ddu s ILE 283 N -6.02 1.97 -0.62 4.05 -1.09 -0.30 -5.01 121.20 114.18 3ddu s ILE 283 Ca -0.16 -1.86 0.02 0.00 -2.23 0.00 0.00 60.65 56.42 3ddu s ILE 283 Cb 0.08 -2.31 0.39 0.00 -1.58 0.00 0.00 42.46 39.03 3ddu s ILE 283 CO 0.64 -0.37 1.44 -0.67 -1.23 0.00 0.00 174.94 174.75 3ddu n ASP 284 N 4.44 5.77 -3.73 3.58 2.03 -1.26 -1.02 116.55 126.37 3ddu n ASP 284 Ca -0.04 -3.76 -0.09 0.00 0.52 0.00 0.00 54.79 51.42 3ddu n ASP 284 Cb 0.42 -0.71 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 3ddu n ASP 284 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ddu s ASN 285 N -2.60 0.03 -0.48 1.67 2.20 -1.26 -5.07 114.94 109.42 3ddu s ASN 285 Ca 0.49 -0.97 0.03 0.00 -0.94 0.00 0.00 52.86 51.47 3ddu s ASN 285 Cb 0.39 0.66 0.48 0.00 -2.00 0.00 0.00 41.25 40.79 3ddu s ASN 285 CO -0.26 -1.28 1.70 0.49 -2.94 0.00 0.00 177.10 174.81 3ddu n PHE 286 N -0.44 2.76 0.42 1.54 3.72 -1.26 -3.42 117.46 120.78 3ddu n PHE 286 Ca -0.03 -2.47 0.12 0.00 -0.05 0.00 0.00 57.45 55.02 3ddu n PHE 286 Cb 0.61 -0.95 0.14 0.00 -0.94 0.00 0.00 39.48 38.34 3ddu n PHE 286 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3ddu h GLU 287 N 1.79 0.00 -3.28 -1.08 5.08 -1.96 -3.44 114.58 111.69 3ddu h GLU 287 Ca 0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.82 3ddu h GLU 287 Cb 1.36 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.50 3ddu h GLU 287 CO 1.13 0.00 0.03 0.20 -1.00 0.00 0.00 179.01 179.37 3ddu s GLY 288 N -3.89 -0.22 0.00 -3.84 0.00 -1.26 -4.87 107.32 93.24 3ddu s GLY 288 Ca 0.05 -0.07 -0.16 0.00 0.00 0.00 0.00 44.72 44.54 3ddu s GLY 288 CO 0.73 -0.21 0.46 1.85 0.00 0.00 0.00 173.10 175.92 3ddu s GLU 289 N -3.84 4.05 -0.18 2.90 2.56 -1.20 -0.97 118.70 122.01 3ddu s GLU 289 Ca 0.06 0.50 -0.04 0.00 0.00 0.00 0.00 54.97 55.49 3ddu s GLU 289 Cb -0.00 -3.25 0.06 0.00 2.00 0.00 0.00 34.13 32.93 3ddu s GLU 289 CO -0.07 0.61 0.06 0.71 -0.56 0.00 0.00 175.26 176.01 3ddu s TYR 290 N -0.85 0.60 -0.24 5.30 2.02 -1.26 -3.31 117.35 119.61 3ddu s TYR 290 Ca 0.25 -0.57 -0.03 0.00 -0.37 0.00 0.00 57.07 56.35 3ddu s TYR 290 Cb -0.17 -0.85 0.01 0.00 -0.40 0.00 0.00 41.96 40.55 3ddu s TYR 290 CO 0.14 -0.55 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.02 3ddu s ASP 291 N 2.00 4.39 0.23 2.29 1.01 -0.07 -4.96 116.67 121.56 3ddu s ASP 291 Ca 0.01 -0.70 -0.31 0.00 0.71 0.00 0.00 52.55 52.26 3ddu s ASP 291 Cb -0.16 -1.71 -0.11 0.00 1.01 0.00 0.00 42.92 41.95 3ddu s ASP 291 CO -0.08 -0.10 1.57 -0.47 0.21 0.00 0.00 175.17 176.29 3ddu s TYR 292 N 1.40 2.93 -0.10 4.23 5.04 -1.26 -0.91 117.35 128.68 3ddu s TYR 292 Ca 0.02 0.72 -0.09 0.00 -2.44 0.00 0.00 57.07 55.28 3ddu s TYR 292 Cb -0.16 -3.98 -0.05 0.00 0.35 0.00 0.00 41.96 38.12 3ddu s TYR 292 CO -0.03 -3.44 -0.20 0.28 -1.34 0.00 0.00 175.55 170.82 3ddu n VAL 293 N 3.03 1.18 -3.81 3.14 0.31 0.01 -4.89 118.33 117.31 3ddu n VAL 293 Ca 0.11 0.06 -0.03 0.00 -0.01 0.00 0.00 64.34 64.47 3ddu n VAL 293 Cb 0.38 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3ddu n VAL 293 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3ddu s THR 294 N -2.43 0.00 0.05 2.52 -1.32 -1.18 -4.44 115.64 108.84 3ddu s THR 294 Ca -0.19 -0.60 -0.04 0.00 -1.21 0.00 0.00 61.69 59.66 3ddu s THR 294 Cb 0.05 -2.44 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 3ddu s THR 294 CO 0.26 0.00 0.05 0.54 -2.21 0.00 0.00 174.62 173.26 3ddu s ASN 295 N -3.18 0.30 -0.28 8.08 4.22 -1.26 -0.37 114.94 122.45 3ddu s ASN 295 Ca 0.17 -0.73 0.00 0.00 -2.14 0.00 0.00 52.86 50.17 3ddu s ASN 295 Cb -0.02 0.22 0.08 0.00 1.28 0.00 0.00 41.25 42.82 3ddu s ASN 295 CO 0.03 -0.55 0.03 -1.61 -2.04 0.00 0.00 177.10 172.96 3ddu s GLU 296 N -3.18 1.14 5.52 3.55 0.41 -0.01 -4.91 118.70 121.22 3ddu s GLU 296 Ca -0.00 -1.13 0.00 0.00 -0.41 0.00 0.00 54.97 53.43 3ddu s GLU 296 Cb 0.02 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 3ddu s GLU 296 CO -0.07 -0.82 0.00 0.41 -0.49 0.00 0.00 175.26 174.29 3ddu n GLY 297 N 4.70 3.40 0.14 -1.39 0.00 -1.26 -1.78 105.19 109.00 3ddu n GLY 297 Ca -0.05 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.13 3ddu n GLY 297 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ddu n THR 298 N 0.00 0.00 -3.09 2.61 -2.24 -1.26 -4.72 114.28 105.59 3ddu n THR 298 Ca 0.00 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3ddu n THR 298 Cb 0.00 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 3ddu n THR 298 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ddu s VAL 299 N -2.15 4.83 -0.17 2.28 1.01 -0.73 -0.95 120.40 124.52 3ddu s VAL 299 Ca 0.40 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 3ddu s VAL 299 Cb 0.21 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3ddu s VAL 299 CO 0.39 -0.48 0.02 -0.36 0.00 0.00 0.00 175.10 174.67 3ddu s PHE 300 N 2.84 3.15 -0.22 5.22 0.40 0.00 -0.83 117.98 128.55 3ddu s PHE 300 Ca 0.25 -0.08 -0.10 0.00 -0.60 0.00 0.00 56.93 56.40 3ddu s PHE 300 Cb -0.14 -2.01 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 3ddu s PHE 300 CO 0.17 0.09 0.13 0.99 0.70 0.00 0.00 175.22 177.31 3ddu s THR 301 N 0.29 5.25 0.02 0.64 2.01 0.50 -0.27 115.64 124.08 3ddu s THR 301 Ca 0.00 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.19 3ddu s THR 301 Cb -0.13 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 3ddu s THR 301 CO 0.01 0.40 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.84 3ddu s PHE 302 N 0.71 1.27 0.05 4.92 0.08 0.20 -0.81 117.98 124.41 3ddu s PHE 302 Ca 0.07 -0.31 -0.28 0.00 0.12 0.00 0.00 56.93 56.52 3ddu s PHE 302 Cb -0.12 -0.78 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 3ddu s PHE 302 CO 0.01 0.02 0.89 0.21 -0.10 0.00 0.00 175.22 176.26 3ddu s LYS 303 N -0.86 4.59 0.04 0.44 2.20 -0.08 -1.10 119.74 124.97 3ddu s LYS 303 Ca 0.03 1.29 -0.03 0.00 -0.36 0.00 0.00 55.97 56.91 3ddu s LYS 303 Cb -0.07 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 3ddu s LYS 303 CO 0.01 0.16 0.03 -0.08 -0.36 0.00 0.00 175.35 175.11 3ddu s THR 304 N 0.27 0.16 -0.95 3.43 -1.32 -0.08 -0.89 115.64 116.26 3ddu s THR 304 Ca 0.45 -1.31 0.13 0.00 -1.21 0.00 0.00 61.69 59.75 3ddu s THR 304 Cb -0.22 -1.01 0.38 0.00 -1.51 0.00 0.00 72.50 70.14 3ddu s THR 304 CO 0.27 -0.72 1.32 -0.46 -2.21 0.00 0.00 174.62 172.81 3ddu n ASN 305 N 0.66 3.21 -4.60 8.08 0.23 -1.21 -1.18 115.26 120.46 3ddu n ASN 305 Ca -0.18 -2.13 -0.43 0.00 -0.53 0.00 0.00 54.58 51.31 3ddu n ASN 305 Cb 0.59 -0.31 -0.03 0.00 -2.08 0.00 0.00 39.78 37.95 3ddu n ASN 305 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3ddu s ARG 306 N -1.24 3.08 -1.99 -3.83 6.06 -1.26 -1.21 118.95 118.55 3ddu s ARG 306 Ca 0.29 1.96 0.00 0.00 -2.50 0.00 0.00 55.73 55.48 3ddu s ARG 306 Cb 0.17 -4.38 0.00 0.00 0.06 0.00 0.00 34.95 30.80 3ddu s ARG 306 CO 0.17 -2.17 0.00 0.72 -2.50 0.00 0.00 175.30 171.52 3ddu n HIS 307 N 11.89 -0.43 -3.12 5.12 8.25 -1.26 -4.91 115.22 130.75 3ddu n HIS 307 Ca 0.30 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.58 3ddu n HIS 307 Cb 0.46 -3.60 -0.05 0.00 1.12 0.00 0.00 29.99 27.92 3ddu n HIS 307 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ddu n SER 308 N -1.58 -1.66 0.31 0.41 7.64 -0.35 -5.01 113.62 113.39 3ddu n SER 308 Ca -0.22 -2.62 0.20 0.00 1.01 0.00 0.00 58.87 57.24 3ddu n SER 308 Cb 0.67 0.39 1.03 0.00 -1.01 0.00 0.00 64.21 65.29 3ddu n SER 308 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3ddu h PRO 309 N 5.26 0.00 -0.23 1.43 0.13 -1.91 0.80 132.00 137.47 3ddu h PRO 309 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3ddu h PRO 309 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3ddu h PRO 309 CO 0.24 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.11 3ddu n ASN 310 N -3.24 2.43 -0.35 1.44 3.02 -1.26 -0.71 115.26 116.59 3ddu n ASN 310 Ca -0.02 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 3ddu n ASN 310 Cb 0.14 -0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3ddu n ASN 310 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3ddu n TYR 311 N 0.84 -0.97 -3.97 3.10 4.02 0.27 -1.31 117.16 119.14 3ddu n TYR 311 Ca 0.17 0.53 -0.11 0.00 -0.01 0.00 0.00 57.90 58.47 3ddu n TYR 311 Cb 0.46 -1.20 -0.02 0.00 -0.02 0.00 0.00 39.34 38.56 3ddu n TYR 311 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 3ddu s ARG 312 N -4.30 1.95 -0.15 -0.72 1.70 -0.32 -4.25 118.95 112.86 3ddu s ARG 312 Ca 0.00 -1.52 0.01 0.00 -0.47 0.00 0.00 55.73 53.75 3ddu s ARG 312 Cb 0.00 0.52 0.01 0.00 -0.57 0.00 0.00 34.95 34.91 3ddu s ARG 312 CO 0.00 -0.85 -0.19 0.08 -1.08 0.00 0.00 175.30 173.25 3ddu s VAL 313 N -3.03 2.26 0.19 4.99 1.01 -0.46 -0.90 120.40 124.46 3ddu s VAL 313 Ca 0.23 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.41 3ddu s VAL 313 Cb -0.02 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3ddu s VAL 313 CO 0.15 0.54 -0.23 0.27 0.00 0.00 0.00 175.10 175.83 3ddu s ILE 314 N 0.91 2.23 -0.17 2.22 -4.36 -0.26 -0.75 121.20 121.02 3ddu s ILE 314 Ca -0.04 -2.02 -0.03 0.00 -0.26 0.00 0.00 60.65 58.30 3ddu s ILE 314 Cb -0.15 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 3ddu s ILE 314 CO -0.03 -0.17 -0.06 0.20 0.24 0.00 0.00 174.94 175.12 3ddu s ASN 315 N -2.70 4.46 -0.17 4.36 0.01 0.72 -0.63 114.94 120.98 3ddu s ASN 315 Ca 0.20 -0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 52.07 3ddu s ASN 315 Cb -0.07 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.85 3ddu s ASN 315 CO 0.09 0.10 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.06 3ddu s ILE 316 N 0.75 3.13 -0.30 0.60 1.01 0.63 -1.66 121.20 125.36 3ddu s ILE 316 Ca -0.03 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 3ddu s ILE 316 Cb -0.15 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3ddu s ILE 316 CO 0.02 0.49 0.55 -0.62 0.00 0.00 0.00 174.94 175.38 3ddu s ASP 317 N 0.83 6.43 0.60 3.58 -1.08 -1.26 -0.82 116.67 124.96 3ddu s ASP 317 Ca -0.03 0.36 0.34 0.00 -0.52 0.00 0.00 52.55 52.70 3ddu s ASP 317 Cb -0.15 -2.29 1.93 0.00 -1.46 0.00 0.00 42.92 40.95 3ddu s ASP 317 CO 0.01 -0.40 2.26 -0.26 0.52 0.00 0.00 175.17 177.30 3ddu h PHE 318 N 8.18 0.00 0.00 -5.34 -1.00 -1.45 -0.54 116.94 116.80 3ddu h PHE 318 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 3ddu h PHE 318 Cb 1.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.69 3ddu h PHE 318 CO 0.75 0.02 0.00 0.25 -1.61 0.00 0.00 178.31 177.72 3ddu n THR 319 N -3.59 0.07 -2.92 -1.55 -2.24 -1.26 -4.27 114.28 98.52 3ddu n THR 319 Ca -0.03 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 3ddu n THR 319 Cb 0.10 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 67.84 3ddu n THR 319 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ddu n ASP 320 N -1.59 -1.53 -0.09 3.42 2.03 -0.25 -5.05 116.55 113.49 3ddu n ASP 320 Ca 0.07 -3.17 0.15 0.00 0.52 0.00 0.00 54.79 52.36 3ddu n ASP 320 Cb 0.35 0.89 0.78 0.00 -0.72 0.00 0.00 41.12 42.42 3ddu n ASP 320 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3ddu n PRO 321 N 1.21 0.92 -1.83 -0.67 -0.04 -0.98 -4.47 135.00 129.14 3ddu n PRO 321 Ca 0.14 -0.18 -0.39 0.00 -0.04 0.00 0.00 63.50 63.02 3ddu n PRO 321 Cb 0.62 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.60 3ddu n PRO 321 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ddu s GLU 322 N -2.20 3.59 0.38 0.54 2.02 -1.26 -4.90 118.70 116.86 3ddu s GLU 322 Ca 0.39 2.34 0.05 0.00 0.02 0.00 0.00 54.97 57.77 3ddu s GLU 322 Cb 0.21 -2.57 0.74 0.00 0.10 0.00 0.00 34.13 32.61 3ddu s GLU 322 CO 0.40 -0.87 2.02 1.49 0.02 0.00 0.00 175.26 178.33 3ddu h GLU 323 N 2.16 0.66 -0.02 1.61 4.81 -1.99 -0.18 114.58 121.62 3ddu h GLU 323 Ca -0.51 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 3ddu h GLU 323 Cb 1.27 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3ddu h GLU 323 CO 0.60 0.46 0.06 0.66 -0.73 0.00 0.00 179.01 180.06 3ddu h SER 324 N 0.67 0.00 0.30 1.04 4.64 -1.97 -2.27 113.55 115.97 3ddu h SER 324 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3ddu h SER 324 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3ddu h SER 324 CO -0.04 0.00 -0.69 0.29 -0.87 0.00 0.00 176.83 175.52 3ddu n LYS 325 N -3.28 0.02 -1.86 4.77 4.76 -0.08 -4.96 118.16 117.52 3ddu n LYS 325 Ca -0.02 -0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.02 3ddu n LYS 325 Cb 0.14 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.87 3ddu n LYS 325 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3ddu s TRP 326 N -2.99 2.35 -0.13 2.13 0.51 -0.86 -4.90 118.94 115.05 3ddu s TRP 326 Ca 0.10 1.42 -0.05 0.00 -2.12 0.00 0.00 56.10 55.45 3ddu s TRP 326 Cb 0.17 -3.70 -0.04 0.00 -0.81 0.00 0.00 33.47 29.09 3ddu s TRP 326 CO 0.76 -2.66 0.07 0.15 -0.51 0.00 0.00 176.95 174.76 3ddu s LYS 327 N -2.98 3.48 -0.56 4.98 -0.14 -0.67 -4.95 119.74 118.91 3ddu s LYS 327 Ca 0.72 -0.29 -0.20 0.00 -1.36 0.00 0.00 55.97 54.84 3ddu s LYS 327 Cb -0.38 -3.07 0.08 0.00 -1.68 0.00 0.00 37.83 32.78 3ddu s LYS 327 CO 0.44 0.58 0.72 0.08 -0.76 0.00 0.00 175.35 176.40 3ddu s VAL 328 N -0.49 4.75 -0.04 3.17 1.01 -1.26 -0.20 120.40 127.33 3ddu s VAL 328 Ca 0.10 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 3ddu s VAL 328 Cb -0.12 -4.44 -0.25 0.00 0.00 0.00 0.00 36.38 31.57 3ddu s VAL 328 CO 0.02 -1.03 1.01 0.25 0.00 0.00 0.00 175.10 175.35 3ddu h LEU 329 N 10.10 0.34 -7.23 3.92 5.85 -1.27 -3.41 115.31 123.61 3ddu h LEU 329 Ca -0.28 -0.81 -0.60 0.00 0.84 0.00 0.00 57.88 57.03 3ddu h LEU 329 Cb 1.09 -0.11 -0.40 0.00 0.37 0.00 0.00 40.66 41.61 3ddu h LEU 329 CO 1.05 1.11 -0.75 -0.69 -0.34 0.00 0.00 178.44 178.83 3ddu s VAL 330 N -2.98 1.12 0.94 1.05 1.01 -0.82 -4.32 120.40 116.40 3ddu s VAL 330 Ca -0.15 -1.60 -0.10 0.00 0.00 0.00 0.00 61.98 60.13 3ddu s VAL 330 Cb 0.01 -1.84 0.15 0.00 0.00 0.00 0.00 36.38 34.70 3ddu s VAL 330 CO 0.78 -0.67 1.07 -2.65 0.00 0.00 0.00 175.10 173.62 3ddu n PRO 331 N 4.70 -0.58 -1.94 2.72 -0.02 -1.26 -1.36 135.00 137.26 3ddu n PRO 331 Ca -0.01 -0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 60.97 3ddu n PRO 331 Cb 0.42 -2.32 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 3ddu n PRO 331 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ddu s GLU 332 N -4.53 3.77 0.34 -0.52 2.12 -1.26 -4.81 118.70 113.82 3ddu s GLU 332 Ca 0.66 2.25 -0.06 0.00 0.36 0.00 0.00 54.97 58.18 3ddu s GLU 332 Cb -0.23 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.45 3ddu s GLU 332 CO 0.59 -0.69 0.63 -1.01 -0.54 0.00 0.00 175.26 174.25 3ddu s HIS 333 N -1.26 3.48 0.26 5.30 3.76 -1.26 -5.02 115.29 120.56 3ddu s HIS 333 Ca 0.60 0.76 -0.02 0.00 -0.15 0.00 0.00 55.06 56.25 3ddu s HIS 333 Cb -0.40 -2.21 0.34 0.00 1.11 0.00 0.00 32.58 31.42 3ddu s HIS 333 CO 0.51 0.05 1.77 1.49 -0.85 0.00 0.00 174.74 177.72 3ddu h GLU 334 N 1.40 0.83 0.00 1.40 4.81 -1.99 -3.40 114.58 117.63 3ddu h GLU 334 Ca -0.48 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 3ddu h GLU 334 Cb 1.19 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3ddu h GLU 334 CO 0.65 0.80 -0.59 1.17 -0.73 0.00 0.00 179.01 180.31 3ddu n LYS 335 N -4.23 0.49 -2.38 1.92 3.00 -1.26 -5.03 118.16 110.67 3ddu n LYS 335 Ca 0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.93 3ddu n LYS 335 Cb 0.28 -0.79 -0.03 0.00 0.00 0.00 0.00 35.03 34.48 3ddu n LYS 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3ddu s ASP 336 N -3.29 7.08 -0.21 3.14 1.01 -1.26 -4.86 116.67 118.28 3ddu s ASP 336 Ca 0.00 2.19 -0.12 0.00 0.71 0.00 0.00 52.55 55.33 3ddu s ASP 336 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3ddu s ASP 336 CO 0.00 -0.39 0.23 -0.69 0.21 0.00 0.00 175.17 174.53 3ddu s VAL 337 N 0.18 5.32 -0.40 -1.27 1.01 -0.81 -4.30 120.40 120.13 3ddu s VAL 337 Ca 0.54 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 3ddu s VAL 337 Cb -0.32 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.50 3ddu s VAL 337 CO 0.35 0.35 1.38 -0.22 0.00 0.00 0.00 175.10 176.96 3ddu s LEU 338 N 0.87 3.63 -0.10 3.92 2.96 -0.43 -0.60 118.68 128.93 3ddu s LEU 338 Ca 0.12 0.85 -0.23 0.00 -0.22 0.00 0.00 54.13 54.65 3ddu s LEU 338 Cb -0.13 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.74 3ddu s LEU 338 CO 0.04 -1.37 0.73 -0.33 -1.32 0.00 0.00 176.35 174.10 3ddu h GLU 339 N 10.40 0.18 -2.93 1.98 4.39 -1.05 -3.45 114.58 124.10 3ddu h GLU 339 Ca -0.27 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.16 3ddu h GLU 339 Cb 1.10 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.77 3ddu h GLU 339 CO 1.08 1.14 0.25 1.67 -1.16 0.00 0.00 179.01 181.99 3ddu s TRP 340 N -2.37 -0.39 -0.13 4.33 1.48 -1.15 -5.03 118.94 115.69 3ddu s TRP 340 Ca -0.18 0.09 -0.10 0.00 -1.06 0.00 0.00 56.10 54.85 3ddu s TRP 340 Cb 0.01 0.62 0.04 0.00 -1.16 0.00 0.00 33.47 32.97 3ddu s TRP 340 CO 0.76 -0.97 0.34 -1.50 -4.06 0.00 0.00 176.95 171.52 3ddu s ILE 341 N -3.75 -0.01 0.03 0.66 2.07 -1.26 -1.35 121.20 117.59 3ddu s ILE 341 Ca 0.05 0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.38 3ddu s ILE 341 Cb -0.03 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 42.06 3ddu s ILE 341 CO -0.05 0.02 -0.15 0.00 -1.91 0.00 0.00 174.94 172.84 3ddu s ALA 342 N 0.57 1.27 -0.13 1.50 0.00 -0.06 -4.87 121.76 120.03 3ddu s ALA 342 Ca -0.03 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 3ddu s ALA 342 Cb -0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 3ddu s ALA 342 CO -0.03 0.26 0.27 0.00 0.00 0.00 0.00 175.76 176.25 3ddu s VAL 344 N -0.08 0.11 -1.44 0.00 0.11 -0.40 -1.85 120.40 116.85 3ddu s VAL 344 Ca 0.17 -0.88 -0.07 0.00 -2.93 0.00 0.00 61.98 58.26 3ddu s VAL 344 Cb -0.13 -0.67 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 3ddu s VAL 344 CO 0.05 -0.49 0.78 -1.14 -3.33 0.00 0.00 175.10 170.97 3ddu n ARG 345 N 1.08 -4.80 0.00 1.54 0.63 0.06 -1.68 116.66 113.50 3ddu n ARG 345 Ca -0.21 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 3ddu n ARG 345 Cb 0.57 -5.20 0.00 0.00 0.45 0.00 0.00 32.46 28.28 3ddu n ARG 345 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3ddu n SER 346 N -2.93 0.00 -0.59 6.15 7.64 0.35 -4.00 113.62 120.24 3ddu n SER 346 Ca -0.14 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.78 3ddu n SER 346 Cb 0.61 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.87 3ddu n SER 346 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3ddu n ASN 347 N 1.70 0.96 -4.76 6.43 6.94 -1.23 -5.01 115.26 120.28 3ddu n ASN 347 Ca 0.00 -2.47 -0.27 0.00 -0.02 0.00 0.00 54.58 51.82 3ddu n ASN 347 Cb 0.00 -0.31 -0.06 0.00 -2.36 0.00 0.00 39.78 37.05 3ddu n ASN 347 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3ddu s PHE 348 N -1.06 3.09 -0.07 -2.53 0.08 -0.67 -1.18 117.98 115.64 3ddu s PHE 348 Ca 0.18 -0.03 0.04 0.00 0.12 0.00 0.00 56.93 57.24 3ddu s PHE 348 Cb 0.18 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 3ddu s PHE 348 CO -0.03 0.52 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.91 3ddu s LEU 349 N -2.92 1.89 -0.24 -0.37 1.43 0.25 -1.28 118.68 117.43 3ddu s LEU 349 Ca 0.30 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 3ddu s LEU 349 Cb -0.10 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 3ddu s LEU 349 CO 0.22 0.12 0.11 -0.69 0.23 0.00 0.00 176.35 176.34 3ddu s VAL 350 N 0.31 4.79 -0.11 -1.59 1.01 0.85 -0.14 120.40 125.51 3ddu s VAL 350 Ca -0.11 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3ddu s VAL 350 Cb -0.15 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 3ddu s VAL 350 CO 0.05 0.34 -0.18 -0.76 0.00 0.00 0.00 175.10 174.55 3ddu s LEU 351 N 1.31 2.44 -0.22 3.92 1.02 0.15 -0.89 118.68 126.41 3ddu s LEU 351 Ca 0.06 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.76 3ddu s LEU 351 Cb -0.15 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.55 3ddu s LEU 351 CO 0.05 0.18 -0.07 0.00 0.02 0.00 0.00 176.35 176.53 3ddu s TYR 353 N 1.42 2.98 -0.25 0.00 1.51 -0.68 -0.39 117.35 121.95 3ddu s TYR 353 Ca 0.05 -0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 55.92 3ddu s TYR 353 Cb -0.14 -1.34 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 3ddu s TYR 353 CO -0.05 0.55 -0.00 -1.17 -1.11 0.00 0.00 175.55 173.77 3ddu s LEU 354 N -3.77 3.28 -0.26 -1.29 2.96 0.23 -1.04 118.68 118.79 3ddu s LEU 354 Ca 0.32 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3ddu s LEU 354 Cb -0.07 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.90 3ddu s LEU 354 CO 0.23 -0.10 -0.09 -2.28 -1.32 0.00 0.00 176.35 172.79 3ddu s HIS 355 N 1.45 3.24 -1.43 5.38 5.65 0.60 -1.93 115.29 128.25 3ddu s HIS 355 Ca 0.03 -2.19 -0.06 0.00 0.25 0.00 0.00 55.06 53.09 3ddu s HIS 355 Cb -0.16 -1.97 0.01 0.00 -1.18 0.00 0.00 32.58 29.28 3ddu s HIS 355 CO -0.02 -0.86 0.27 -0.25 -0.65 0.00 0.00 174.74 173.24 3ddu n ASP 356 N 4.48 -0.52 -1.33 9.88 8.00 -1.26 -1.59 116.55 134.21 3ddu n ASP 356 Ca -0.14 -1.18 -0.13 0.00 0.71 0.00 0.00 54.79 54.05 3ddu n ASP 356 Cb 0.43 -2.17 -0.02 0.00 -0.02 0.00 0.00 41.12 39.34 3ddu n ASP 356 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ddu n VAL 357 N -4.57 -0.45 -4.28 2.53 0.31 -1.26 -5.01 118.33 105.60 3ddu n VAL 357 Ca -0.28 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 63.87 3ddu n VAL 357 Cb 0.67 -1.86 -0.14 0.00 -0.91 0.00 0.00 33.84 31.61 3ddu n VAL 357 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3ddu s LYS 358 N -4.23 0.71 0.35 5.55 1.02 -0.62 -4.45 119.74 118.08 3ddu s LYS 358 Ca 0.00 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.30 3ddu s LYS 358 Cb 0.00 -0.66 -0.10 0.00 -0.52 0.00 0.00 37.83 36.56 3ddu s LYS 358 CO 0.00 0.17 0.81 -0.80 -0.92 0.00 0.00 175.35 174.61 3ddu s ASN 359 N -0.74 6.86 0.16 2.83 0.02 -0.40 -0.29 114.94 123.39 3ddu s ASN 359 Ca 0.00 1.43 0.06 0.00 -1.02 0.00 0.00 52.86 53.34 3ddu s ASN 359 Cb -0.06 -2.43 -0.04 0.00 0.02 0.00 0.00 41.25 38.73 3ddu s ASN 359 CO 0.00 -0.24 -0.13 0.42 0.02 0.00 0.00 177.10 177.18 3ddu s THR 360 N -2.01 1.44 -0.02 1.60 -4.23 -0.20 -4.78 115.64 107.44 3ddu s THR 360 Ca 0.56 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3ddu s THR 360 Cb -0.10 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.91 3ddu s THR 360 CO 0.16 -0.60 0.04 -0.22 -0.54 0.00 0.00 174.62 173.47 3ddu s LEU 361 N -3.03 1.45 0.14 4.79 2.96 -1.26 -1.68 118.68 122.06 3ddu s LEU 361 Ca 0.17 0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 54.00 3ddu s LEU 361 Cb -0.01 0.07 0.03 0.00 0.50 0.00 0.00 46.19 46.78 3ddu s LEU 361 CO 0.04 -0.07 0.42 0.00 -1.32 0.00 0.00 176.35 175.41 3ddu s GLN 362 N 0.54 1.14 -0.13 1.98 -2.07 -0.49 -1.23 119.66 119.39 3ddu s GLN 362 Ca -0.04 -0.77 -0.02 0.00 -1.82 0.00 0.00 55.36 52.71 3ddu s GLN 362 Cb -0.06 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 3ddu s GLN 362 CO -0.02 -0.45 -0.06 -1.17 -1.32 0.00 0.00 175.29 172.27 3ddu s LEU 363 N -2.83 3.16 0.19 2.60 2.96 0.58 -0.67 118.68 124.67 3ddu s LEU 363 Ca 0.05 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.91 3ddu s LEU 363 Cb 0.01 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 3ddu s LEU 363 CO -0.09 0.22 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.01 3ddu s HIS 364 N 0.07 1.65 0.09 5.38 3.76 0.80 -0.23 115.29 126.80 3ddu s HIS 364 Ca -0.01 -0.59 -0.29 0.00 -0.15 0.00 0.00 55.06 54.02 3ddu s HIS 364 Cb -0.14 -0.78 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 3ddu s HIS 364 CO 0.03 0.32 0.93 0.34 -0.85 0.00 0.00 174.74 175.51 3ddu s ASP 365 N -3.23 7.44 0.24 1.40 2.15 -0.14 -0.58 116.67 123.95 3ddu s ASP 365 Ca 0.21 1.72 -0.04 0.00 0.43 0.00 0.00 52.55 54.87 3ddu s ASP 365 Cb -0.01 -2.57 0.28 0.00 -0.30 0.00 0.00 42.92 40.32 3ddu s ASP 365 CO 0.06 -0.07 1.75 0.25 -0.17 0.00 0.00 175.17 176.99 3ddu h LEU 366 N 5.70 0.86 -0.12 -1.34 5.85 -1.45 0.21 115.31 125.02 3ddu h LEU 366 Ca -0.43 -0.19 -0.18 0.00 0.84 0.00 0.00 57.88 57.92 3ddu h LEU 366 Cb 1.21 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.02 3ddu h LEU 366 CO 0.72 0.88 -0.64 0.74 -0.34 0.00 0.00 178.44 179.81 3ddu h THR 367 N 0.85 1.33 0.00 1.05 2.02 -1.94 -3.35 112.91 112.86 3ddu h THR 367 Ca 0.17 -1.91 -0.01 0.00 0.77 0.00 0.00 66.41 65.44 3ddu h THR 367 Cb 0.41 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3ddu h THR 367 CO 0.01 0.59 -1.71 0.35 0.37 0.00 0.00 175.52 175.13 3ddu n THR 368 N -4.10 0.03 -1.00 3.16 -2.24 -1.24 -5.00 114.28 103.89 3ddu n THR 368 Ca -0.08 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3ddu n THR 368 Cb 0.67 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3ddu n THR 368 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddu n GLY 369 N 1.64 0.91 3.77 3.38 0.00 0.72 -4.88 105.19 110.73 3ddu n GLY 369 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3ddu n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddu s ALA 370 N -3.63 3.21 0.17 4.61 0.00 -1.25 -4.59 121.76 120.28 3ddu s ALA 370 Ca 0.00 1.12 -0.31 0.00 0.00 0.00 0.00 51.96 52.76 3ddu s ALA 370 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3ddu s ALA 370 CO 0.00 -0.70 1.55 -1.17 0.00 0.00 0.00 175.76 175.45 3ddu s LEU 371 N -2.45 4.37 -0.12 0.00 2.96 -1.26 -0.97 118.68 121.21 3ddu s LEU 371 Ca 0.57 2.61 0.02 0.00 -0.22 0.00 0.00 54.13 57.11 3ddu s LEU 371 Cb -0.35 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.66 3ddu s LEU 371 CO 0.44 -0.81 -0.09 0.18 -1.32 0.00 0.00 176.35 174.76 3ddu n LEU 372 N 3.84 2.54 -3.67 -0.68 4.77 0.68 -4.91 117.00 119.57 3ddu n LEU 372 Ca 0.13 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 3ddu n LEU 372 Cb 0.39 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3ddu n LEU 372 CO 0.61 0.64 0.27 -0.75 -1.33 0.00 0.00 177.39 176.83 3ddu s LYS 373 N -2.24 0.65 -0.16 3.23 2.47 -1.04 -4.99 119.74 117.66 3ddu s LYS 373 Ca -0.15 0.93 -0.11 0.00 -1.56 0.00 0.00 55.97 55.08 3ddu s LYS 373 Cb 0.04 0.23 -0.05 0.00 -1.46 0.00 0.00 37.83 36.59 3ddu s LYS 373 CO 0.30 -0.11 0.21 0.42 0.16 0.00 0.00 175.35 176.33 3ddu s ILE 374 N 0.84 5.36 -0.40 5.43 1.01 -1.26 -0.31 121.20 131.87 3ddu s ILE 374 Ca -0.04 0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.80 3ddu s ILE 374 Cb -0.05 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.90 3ddu s ILE 374 CO -0.07 0.46 0.50 -0.36 0.00 0.00 0.00 174.94 175.48 3ddu s PHE 375 N 0.04 3.15 0.26 3.97 0.08 -0.36 -5.00 117.98 120.12 3ddu s PHE 375 Ca 0.13 -0.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.74 3ddu s PHE 375 Cb -0.12 -3.00 -0.10 0.00 -0.57 0.00 0.00 43.02 39.22 3ddu s PHE 375 CO 0.02 -0.69 1.43 -1.25 -0.10 0.00 0.00 175.22 174.64 3ddu s PRO 376 N 2.36 4.27 0.05 0.24 0.04 -1.26 -4.36 135.00 136.33 3ddu s PRO 376 Ca 0.16 2.31 0.03 0.00 0.04 0.00 0.00 61.00 63.55 3ddu s PRO 376 Cb -0.16 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 3ddu s PRO 376 CO 0.15 -0.41 -0.10 -0.51 0.04 0.00 0.00 177.00 176.16 3ddu s LEU 377 N -0.54 2.24 1.20 -3.56 1.43 -1.26 -5.07 118.68 113.12 3ddu s LEU 377 Ca 0.58 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 3ddu s LEU 377 Cb -0.42 -0.32 0.29 0.00 0.03 0.00 0.00 46.19 45.76 3ddu s LEU 377 CO 0.45 -0.13 1.14 -1.81 0.23 0.00 0.00 176.35 176.23 3ddu s ASP 378 N -1.51 0.99 -0.21 2.29 1.01 -1.26 -4.97 116.67 113.01 3ddu s ASP 378 Ca -0.06 0.52 -0.29 0.00 0.71 0.00 0.00 52.55 53.43 3ddu s ASP 378 Cb -0.09 -0.69 -0.01 0.00 1.01 0.00 0.00 42.92 43.14 3ddu s ASP 378 CO 0.01 -4.07 1.36 0.68 0.21 0.00 0.00 175.17 173.36 3ddu s VAL 379 N -3.12 4.09 -2.28 -1.27 -7.23 -1.26 -4.85 120.40 104.48 3ddu s VAL 379 Ca 0.72 1.28 0.00 0.00 -1.81 0.00 0.00 61.98 62.17 3ddu s VAL 379 Cb -0.08 -3.97 0.00 0.00 0.56 0.00 0.00 36.38 32.89 3ddu s VAL 379 CO 0.56 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 3ddu n GLY 380 N 4.06 -0.64 3.24 2.32 0.00 -1.26 -4.71 105.19 108.20 3ddu n GLY 380 Ca 0.15 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 3ddu n GLY 380 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ddu s SER 381 N -4.00 2.29 -0.24 1.61 0.01 -0.14 -1.27 113.70 111.96 3ddu s SER 381 Ca 0.00 -0.59 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 3ddu s SER 381 Cb 0.00 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 3ddu s SER 381 CO 0.00 0.07 0.49 -0.63 0.41 0.00 0.00 173.24 173.58 3ddu s ILE 382 N -1.01 5.11 0.00 1.44 -1.09 -1.26 -1.15 121.20 123.23 3ddu s ILE 382 Ca 0.05 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 3ddu s ILE 382 Cb -0.09 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 3ddu s ILE 382 CO 0.03 0.14 0.73 1.33 -1.23 0.00 0.00 174.94 175.93 3ddu n VAL 383 N 4.90 0.49 -3.51 2.92 0.24 0.13 -5.01 118.33 118.48 3ddu n VAL 383 Ca -0.05 -0.71 -0.15 0.00 -2.04 0.00 0.00 64.34 61.39 3ddu n VAL 383 Cb 0.50 0.78 -0.05 0.00 -1.47 0.00 0.00 33.84 33.61 3ddu n VAL 383 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ddu s GLY 384 N -0.49 -0.52 -0.14 7.63 0.00 -1.22 -4.93 107.32 107.65 3ddu s GLY 384 Ca 0.00 1.26 -0.26 0.00 0.00 0.00 0.00 44.72 45.72 3ddu s GLY 384 CO 0.00 0.77 0.64 -0.47 0.00 0.00 0.00 173.10 174.04 3ddu s TYR 385 N -1.82 -0.65 0.01 1.90 5.04 -1.26 -1.11 117.35 119.45 3ddu s TYR 385 Ca -0.06 1.37 -0.01 0.00 -2.44 0.00 0.00 57.07 55.93 3ddu s TYR 385 Cb -0.00 0.31 -0.01 0.00 0.35 0.00 0.00 41.96 42.61 3ddu s TYR 385 CO 0.03 -0.47 0.00 -1.54 -1.34 0.00 0.00 175.55 172.23 3ddu s SER 386 N -0.47 0.11 0.00 4.32 1.04 -0.20 -4.98 113.70 113.52 3ddu s SER 386 Ca -0.06 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3ddu s SER 386 Cb -0.03 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.17 3ddu s SER 386 CO 0.05 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3ddu n GLY 387 N 2.25 1.18 3.99 7.32 0.00 -1.26 -1.95 105.19 116.71 3ddu n GLY 387 Ca -0.19 0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3ddu n GLY 387 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ddu s GLN 388 N -0.03 2.35 0.29 1.61 1.11 -1.26 -4.46 119.66 119.27 3ddu s GLN 388 Ca 0.00 -0.98 0.04 0.00 0.01 0.00 0.00 55.36 54.43 3ddu s GLN 388 Cb 0.00 -2.49 0.67 0.00 -1.01 0.00 0.00 33.01 30.17 3ddu s GLN 388 CO 0.00 -0.86 1.78 -0.22 0.01 0.00 0.00 175.29 176.01 3ddu h LYS 389 N -0.01 0.76 -0.00 2.91 3.64 -1.71 0.34 116.57 122.50 3ddu h LYS 389 Ca -0.39 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3ddu h LYS 389 Cb 1.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3ddu h LYS 389 CO 0.48 0.50 -0.04 0.36 -2.27 0.00 0.00 179.45 178.48 3ddu n LYS 390 N -4.76 0.02 -2.48 1.90 2.85 -1.26 -0.50 118.16 113.93 3ddu n LYS 390 Ca 0.21 -0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.16 3ddu n LYS 390 Cb 0.51 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.36 3ddu n LYS 390 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3ddu s ASP 391 N -2.98 6.55 -0.11 -5.58 1.01 0.11 -4.84 116.67 110.82 3ddu s ASP 391 Ca 0.14 1.42 0.14 0.00 0.71 0.00 0.00 52.55 54.97 3ddu s ASP 391 Cb 0.19 -2.45 0.32 0.00 1.01 0.00 0.00 42.92 42.00 3ddu s ASP 391 CO 0.54 -0.56 1.22 0.35 0.21 0.00 0.00 175.17 176.93 3ddu n THR 392 N -1.63 1.79 -3.64 -1.27 -2.24 -1.26 -0.76 114.28 105.27 3ddu n THR 392 Ca 0.05 -1.82 -0.11 0.00 -2.27 0.00 0.00 64.05 59.90 3ddu n THR 392 Cb 0.54 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 3ddu n THR 392 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ddu s GLU 393 N -2.38 1.03 0.11 -0.78 -1.05 -1.26 -1.06 118.70 113.32 3ddu s GLU 393 Ca 0.29 -0.61 0.10 0.00 -0.15 0.00 0.00 54.97 54.60 3ddu s GLU 393 Cb 0.24 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.35 3ddu s GLU 393 CO 0.06 -0.39 -0.24 0.96 0.95 0.00 0.00 175.26 176.59 3ddu s ILE 394 N -3.45 2.01 0.10 1.83 -4.36 -0.57 -4.48 121.20 112.28 3ddu s ILE 394 Ca 0.01 -1.65 0.10 0.00 -0.26 0.00 0.00 60.65 58.85 3ddu s ILE 394 Cb 0.01 -1.80 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 3ddu s ILE 394 CO -0.09 0.04 -0.23 -0.36 0.24 0.00 0.00 174.94 174.53 3ddu s PHE 395 N -1.09 2.40 -0.04 1.37 0.40 -0.82 -1.19 117.98 119.02 3ddu s PHE 395 Ca 0.11 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 3ddu s PHE 395 Cb -0.10 -1.33 0.02 0.00 0.51 0.00 0.00 43.02 42.11 3ddu s PHE 395 CO 0.05 0.29 0.25 1.52 0.70 0.00 0.00 175.22 178.03 3ddu s TYR 396 N -1.01 -0.15 -0.17 0.36 1.13 -0.47 -1.03 117.35 116.01 3ddu s TYR 396 Ca 0.15 0.29 -0.03 0.00 -1.41 0.00 0.00 57.07 56.07 3ddu s TYR 396 Cb -0.10 0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.79 3ddu s TYR 396 CO 0.06 -0.29 -0.05 -1.14 -2.51 0.00 0.00 175.55 171.62 3ddu s GLN 397 N -0.89 3.54 -0.04 -3.49 0.74 -0.27 -0.55 119.66 118.69 3ddu s GLN 397 Ca -0.10 -0.58 0.03 0.00 0.05 0.00 0.00 55.36 54.76 3ddu s GLN 397 Cb -0.05 -2.90 -0.03 0.00 1.10 0.00 0.00 33.01 31.13 3ddu s GLN 397 CO 0.02 0.10 -0.11 0.12 -0.55 0.00 0.00 175.29 174.88 3ddu s PHE 398 N 0.70 2.80 0.09 1.67 5.36 -0.16 -0.69 117.98 127.75 3ddu s PHE 398 Ca -0.03 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 3ddu s PHE 398 Cb -0.15 -1.64 -0.04 0.00 -0.34 0.00 0.00 43.02 40.85 3ddu s PHE 398 CO 0.02 0.27 -0.03 -0.08 -1.46 0.00 0.00 175.22 173.95 3ddu s THR 399 N -0.82 0.40 0.31 0.12 -1.32 -0.30 -0.87 115.64 113.16 3ddu s THR 399 Ca 0.13 -1.88 -0.09 0.00 -1.21 0.00 0.00 61.69 58.63 3ddu s THR 399 Cb -0.11 -1.71 0.01 0.00 -1.51 0.00 0.00 72.50 69.18 3ddu s THR 399 CO 0.02 -0.83 0.53 -0.94 -2.21 0.00 0.00 174.62 171.20 3ddu s SER 400 N -3.00 0.30 0.36 8.08 1.04 -1.19 -0.97 113.70 118.32 3ddu s SER 400 Ca 0.13 -1.17 0.07 0.00 0.48 0.00 0.00 55.95 55.46 3ddu s SER 400 Cb 0.07 0.66 0.70 0.00 0.10 0.00 0.00 66.02 67.55 3ddu s SER 400 CO -0.05 -1.29 1.90 -0.26 0.98 0.00 0.00 173.24 174.52 3ddu h PHE 401 N 2.16 0.41 -0.00 5.02 0.04 -1.85 -1.65 116.94 121.06 3ddu h PHE 401 Ca -0.28 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.45 3ddu h PHE 401 Cb 1.25 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.28 3ddu h PHE 401 CO 0.96 0.45 -0.24 1.28 -0.60 0.00 0.00 178.31 180.16 3ddu n LEU 402 N -4.29 0.95 -3.98 1.54 4.77 -1.26 -4.41 117.00 110.31 3ddu n LEU 402 Ca 0.01 -0.70 -0.16 0.00 -0.03 0.00 0.00 56.01 55.12 3ddu n LEU 402 Cb 0.24 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 3ddu n LEU 402 CO 0.38 0.20 -0.41 -0.44 -1.33 0.00 0.00 177.39 175.79 3ddu s SER 403 N -1.40 0.75 1.08 -1.43 0.01 -1.25 -4.61 113.70 106.85 3ddu s SER 403 Ca 0.06 -0.14 -0.13 0.00 1.31 0.00 0.00 55.95 57.05 3ddu s SER 403 Cb 0.07 -0.07 0.23 0.00 0.21 0.00 0.00 66.02 66.46 3ddu s SER 403 CO 0.26 0.06 1.07 -2.16 0.41 0.00 0.00 173.24 172.88 3ddu s PRO 404 N -0.25 -0.21 0.35 12.44 0.04 -1.26 -3.19 135.00 142.91 3ddu s PRO 404 Ca 0.02 0.52 -0.27 0.00 0.04 0.00 0.00 61.00 61.31 3ddu s PRO 404 Cb -0.03 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.73 3ddu s PRO 404 CO -0.00 -3.17 1.16 0.41 0.04 0.00 0.00 177.00 175.44 3ddu n GLY 405 N -0.52 0.20 3.08 0.56 0.00 -1.26 -4.73 105.19 102.51 3ddu n GLY 405 Ca 0.05 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 3ddu n GLY 405 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ddu s ILE 406 N -1.12 0.97 -0.18 -0.61 -1.16 -0.05 -4.48 121.20 114.58 3ddu s ILE 406 Ca 0.58 -0.53 -0.05 0.00 -0.51 0.00 0.00 60.65 60.14 3ddu s ILE 406 Cb -0.60 -0.81 -0.03 0.00 0.61 0.00 0.00 42.46 41.62 3ddu s ILE 406 CO 0.60 0.27 0.01 -0.63 -2.81 0.00 0.00 174.94 172.38 3ddu s ILE 407 N -0.30 4.20 0.19 2.00 1.01 -0.10 -0.99 121.20 127.22 3ddu s ILE 407 Ca 0.05 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.52 3ddu s ILE 407 Cb -0.05 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3ddu s ILE 407 CO -0.00 0.46 0.11 -0.31 0.00 0.00 0.00 174.94 175.20 3ddu s TYR 408 N 0.55 3.05 0.02 3.97 2.02 0.29 -0.05 117.35 127.21 3ddu s TYR 408 Ca -0.00 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 3ddu s TYR 408 Cb -0.14 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 3ddu s TYR 408 CO 0.02 0.52 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.88 3ddu s HIS 409 N -1.84 0.60 -0.06 2.71 5.65 -0.13 -1.37 115.29 120.86 3ddu s HIS 409 Ca 0.30 -0.28 -0.03 0.00 0.25 0.00 0.00 55.06 55.31 3ddu s HIS 409 Cb -0.09 -0.37 0.04 0.00 -1.18 0.00 0.00 32.58 30.97 3ddu s HIS 409 CO 0.22 -0.04 0.11 0.00 -0.65 0.00 0.00 174.74 174.39 3ddu s ASP 411 N 2.01 6.57 0.00 0.00 -1.08 -1.26 -1.52 116.67 121.39 3ddu s ASP 411 Ca 0.01 0.31 0.22 0.00 -0.52 0.00 0.00 52.55 52.57 3ddu s ASP 411 Cb -0.12 -2.52 0.97 0.00 -1.46 0.00 0.00 42.92 39.79 3ddu s ASP 411 CO -0.05 -1.23 1.67 0.18 0.52 0.00 0.00 175.17 176.26 3ddu n LEU 412 N 7.72 1.09 0.06 -1.34 4.77 -0.22 -3.42 117.00 125.68 3ddu n LEU 412 Ca 0.10 -0.44 0.13 0.00 -0.03 0.00 0.00 56.01 55.77 3ddu n LEU 412 Cb 0.49 -0.05 0.45 0.00 -2.33 0.00 0.00 43.42 41.97 3ddu n LEU 412 CO 0.70 0.22 0.85 0.35 -1.33 0.00 0.00 177.39 178.17 3ddu n THR 413 N -0.08 0.36 -3.24 -5.08 -2.24 -1.23 -4.93 114.28 97.85 3ddu n THR 413 Ca 0.17 -0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 3ddu n THR 413 Cb 0.25 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 67.94 3ddu n THR 413 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ddu s LYS 414 N -3.07 3.97 0.13 -0.78 -0.14 -1.22 -4.99 119.74 113.63 3ddu s LYS 414 Ca 0.11 0.56 -0.17 0.00 -1.36 0.00 0.00 55.97 55.11 3ddu s LYS 414 Cb 0.15 -2.59 -0.02 0.00 -1.68 0.00 0.00 37.83 33.68 3ddu s LYS 414 CO 0.59 0.26 1.70 0.93 -0.76 0.00 0.00 175.35 178.08 3ddu h GLU 415 N 2.59 0.49 -4.47 1.68 5.08 -1.92 -3.37 114.58 114.66 3ddu h GLU 415 Ca -0.48 -0.07 -0.73 0.00 -1.00 0.00 0.00 59.36 57.09 3ddu h GLU 415 Cb 1.18 -0.09 -0.21 0.00 0.50 0.00 0.00 28.75 30.12 3ddu h GLU 415 CO 0.66 0.45 -0.23 -2.00 -1.00 0.00 0.00 179.01 176.89 3ddu s GLU 416 N -5.72 3.02 -0.00 2.33 2.12 -1.26 -5.05 118.70 114.14 3ddu s GLU 416 Ca -0.13 -1.25 -0.30 0.00 0.36 0.00 0.00 54.97 53.65 3ddu s GLU 416 Cb 0.09 -4.13 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 3ddu s GLU 416 CO 0.73 -1.09 1.26 -0.51 -0.54 0.00 0.00 175.26 175.11 3ddu s LEU 417 N 1.90 4.32 -0.41 2.70 1.43 -1.26 -4.99 118.68 122.36 3ddu s LEU 417 Ca 0.07 1.97 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 3ddu s LEU 417 Cb -0.23 -3.57 0.12 0.00 0.03 0.00 0.00 46.19 42.55 3ddu s LEU 417 CO 0.08 -0.59 0.19 -1.61 0.23 0.00 0.00 176.35 174.65 3ddu s GLU 418 N 1.91 1.30 0.07 1.70 2.02 -1.26 -5.09 118.70 119.34 3ddu s GLU 418 Ca 0.59 -1.90 -0.31 0.00 0.02 0.00 0.00 54.97 53.38 3ddu s GLU 418 Cb -0.28 -2.52 -0.07 0.00 0.10 0.00 0.00 34.13 31.36 3ddu s GLU 418 CO 0.25 -1.09 1.39 -2.14 0.02 0.00 0.00 175.26 173.69 3ddu s PRO 419 N 0.58 4.31 0.08 0.39 0.02 -1.26 -4.54 135.00 134.57 3ddu s PRO 419 Ca 0.15 2.02 0.04 0.00 0.02 0.00 0.00 61.00 63.24 3ddu s PRO 419 Cb -0.23 -3.39 -0.03 0.00 0.02 0.00 0.00 34.50 30.87 3ddu s PRO 419 CO -0.06 -0.49 -0.12 1.03 -0.33 0.00 0.00 177.00 177.03 3ddu s ARG 420 N 1.64 0.79 0.18 5.54 0.52 -0.05 -4.97 118.95 122.61 3ddu s ARG 420 Ca 0.64 -0.98 -0.32 0.00 -0.52 0.00 0.00 55.73 54.55 3ddu s ARG 420 Cb -0.34 -0.70 -0.11 0.00 0.52 0.00 0.00 34.95 34.32 3ddu s ARG 420 CO 0.29 0.14 1.67 0.08 0.02 0.00 0.00 175.30 177.50 3ddu s VAL 421 N -1.57 2.33 -0.20 3.52 1.01 -1.26 -0.96 120.40 123.27 3ddu s VAL 421 Ca -0.01 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 3ddu s VAL 421 Cb -0.08 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 3ddu s VAL 421 CO 0.02 0.01 -0.24 0.33 0.00 0.00 0.00 175.10 175.22 3ddu n PHE 422 N 4.17 0.00 -3.72 5.22 7.35 0.93 -4.82 117.46 126.59 3ddu n PHE 422 Ca 0.15 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.68 3ddu n PHE 422 Cb 0.37 -0.73 -0.16 0.00 0.35 0.00 0.00 39.48 39.31 3ddu n PHE 422 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3ddu s ARG 423 N -2.38 -0.00 -0.00 -4.13 6.06 -0.81 -5.00 118.95 112.70 3ddu s ARG 423 Ca -0.28 0.34 0.02 0.00 -2.50 0.00 0.00 55.73 53.31 3ddu s ARG 423 Cb 0.10 -0.29 -0.01 0.00 0.06 0.00 0.00 34.95 34.81 3ddu s ARG 423 CO 0.38 -0.23 -0.07 -2.00 -2.50 0.00 0.00 175.30 170.89 3ddu s GLU 424 N 1.55 0.53 0.00 5.12 2.12 -1.26 -0.92 118.70 125.85 3ddu s GLU 424 Ca -0.04 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.03 3ddu s GLU 424 Cb -0.12 -0.51 0.00 0.00 0.26 0.00 0.00 34.13 33.76 3ddu s GLU 424 CO -0.04 0.14 0.00 1.33 -0.54 0.00 0.00 175.26 176.15 3ddu n VAL 425 N 2.84 0.00 -4.70 3.70 0.24 -1.26 -5.09 118.33 114.06 3ddu n VAL 425 Ca -0.14 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.83 3ddu n VAL 425 Cb 0.58 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.81 3ddu n VAL 425 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3ddu s VAL 427 N 3.81 3.29 -0.53 3.34 1.01 -1.26 -4.75 120.40 125.31 3ddu s VAL 427 Ca 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 3ddu s VAL 427 Cb 0.00 -2.38 -0.14 0.00 0.00 0.00 0.00 36.38 33.86 3ddu s VAL 427 CO 0.00 0.53 1.75 2.29 0.00 0.00 0.00 175.10 179.67 3ddu n LYS 428 N 3.28 1.12 0.00 2.72 0.00 -1.26 -4.79 118.16 119.23 3ddu n LYS 428 Ca -0.18 -1.34 0.00 0.00 -0.00 0.00 0.00 58.31 56.79 3ddu n LYS 428 Cb 0.53 -2.55 0.00 0.00 -0.00 0.00 0.00 35.03 33.01 3ddu n LYS 428 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3ddu n ILE 430 N 5.52 0.00 -3.50 0.58 2.08 -1.26 -4.99 119.36 117.78 3ddu n ILE 430 Ca 0.39 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 63.28 3ddu n ILE 430 Cb 0.26 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.06 3ddu n ILE 430 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3ddu s ASP 431 N 0.00 5.90 0.52 4.38 2.15 -1.26 -4.96 116.67 123.41 3ddu s ASP 431 Ca 0.00 -1.31 0.29 0.00 0.43 0.00 0.00 52.55 51.97 3ddu s ASP 431 Cb 0.00 -2.09 1.43 0.00 -0.30 0.00 0.00 42.92 41.96 3ddu s ASP 431 CO 0.00 -0.55 1.90 0.00 -0.17 0.00 0.00 175.17 176.35 3ddu h ALA 432 N 8.57 2.74 0.00 3.66 0.00 -1.96 -1.96 119.26 130.31 3ddu h ALA 432 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ddu h ALA 432 Cb 1.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ddu h ALA 432 CO 0.79 -0.98 0.00 0.77 0.00 0.00 0.00 179.25 179.83 3ddu h SER 433 N 0.04 0.00 1.00 0.00 0.02 -1.96 -2.01 113.55 110.64 3ddu h SER 433 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3ddu h SER 433 Cb 1.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.10 3ddu h SER 433 CO -0.02 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.14 3ddu n ASP 434 N -2.87 0.06 -4.47 3.07 8.00 -0.74 -4.87 116.55 114.73 3ddu n ASP 434 Ca -0.01 0.51 -0.27 0.00 0.71 0.00 0.00 54.79 55.72 3ddu n ASP 434 Cb 0.17 -0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 40.63 3ddu n ASP 434 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ddu s TYR 435 N -3.01 2.43 0.05 1.24 2.02 -0.76 -1.31 117.35 118.01 3ddu s TYR 435 Ca 0.13 -0.31 0.09 0.00 -0.37 0.00 0.00 57.07 56.61 3ddu s TYR 435 Cb 0.18 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 3ddu s TYR 435 CO 0.52 0.48 -0.25 1.14 -1.57 0.00 0.00 175.55 175.87 3ddu s GLN 436 N -2.61 1.66 -0.05 -0.62 -2.07 0.10 -4.74 119.66 111.34 3ddu s GLN 436 Ca 0.21 -1.08 0.07 0.00 -1.82 0.00 0.00 55.36 52.74 3ddu s GLN 436 Cb -0.09 -1.84 -0.01 0.00 -1.09 0.00 0.00 33.01 29.98 3ddu s GLN 436 CO 0.11 0.47 -0.25 0.99 -1.32 0.00 0.00 175.29 175.29 3ddu s THR 437 N -0.82 2.03 0.07 3.63 2.01 -1.26 -1.71 115.64 119.60 3ddu s THR 437 Ca 0.11 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.06 3ddu s THR 437 Cb -0.10 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 3ddu s THR 437 CO 0.02 0.57 -0.07 0.68 -0.69 0.00 0.00 174.62 175.13 3ddu s VAL 438 N -0.30 0.62 -0.14 3.82 -7.23 -0.08 -4.99 120.40 112.10 3ddu s VAL 438 Ca 0.01 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3ddu s VAL 438 Cb -0.12 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.66 3ddu s VAL 438 CO 0.02 -0.63 -0.19 -1.58 -0.31 0.00 0.00 175.10 172.41 3ddu s GLN 439 N -2.73 3.14 0.33 4.82 0.74 -1.26 -1.19 119.66 123.50 3ddu s GLN 439 Ca 0.01 -0.80 0.07 0.00 0.05 0.00 0.00 55.36 54.69 3ddu s GLN 439 Cb -0.02 -2.51 -0.06 0.00 1.10 0.00 0.00 33.01 31.51 3ddu s GLN 439 CO -0.02 0.05 -0.04 0.96 -0.55 0.00 0.00 175.29 175.69 3ddu s ILE 440 N 0.69 1.83 -0.11 -2.34 -5.25 -0.30 -4.98 121.20 110.75 3ddu s ILE 440 Ca -0.09 -2.11 0.01 0.00 -0.99 0.00 0.00 60.65 57.47 3ddu s ILE 440 Cb -0.16 -2.66 0.02 0.00 2.95 0.00 0.00 42.46 42.61 3ddu s ILE 440 CO 0.01 -0.18 -0.12 -0.36 -1.79 0.00 0.00 174.94 172.51 3ddu s PHE 441 N -2.87 1.72 0.04 1.37 0.40 -1.26 -0.64 117.98 116.73 3ddu s PHE 441 Ca 0.32 -0.83 0.08 0.00 -0.60 0.00 0.00 56.93 55.90 3ddu s PHE 441 Cb 0.05 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.24 3ddu s PHE 441 CO 0.15 -0.48 -0.21 1.52 0.70 0.00 0.00 175.22 176.90 3ddu s TYR 442 N 1.27 2.48 0.15 0.36 1.13 -0.49 -4.84 117.35 117.41 3ddu s TYR 442 Ca -0.02 -0.31 -0.30 0.00 -1.41 0.00 0.00 57.07 55.03 3ddu s TYR 442 Cb -0.14 -1.45 -0.07 0.00 -1.10 0.00 0.00 41.96 39.20 3ddu s TYR 442 CO -0.04 0.20 1.17 -1.25 -2.51 0.00 0.00 175.55 173.11 3ddu s PRO 443 N -1.31 4.51 0.85 -3.49 0.04 -1.26 -0.30 135.00 134.04 3ddu s PRO 443 Ca 0.13 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 3ddu s PRO 443 Cb -0.10 -3.28 0.19 0.00 0.04 0.00 0.00 34.50 31.35 3ddu s PRO 443 CO 0.04 -0.08 1.16 0.45 0.04 0.00 0.00 177.00 178.61 3ddu n SER 444 N 2.79 0.42 -0.26 6.66 2.88 0.52 -4.89 113.62 121.74 3ddu n SER 444 Ca 0.05 -1.62 0.06 0.00 -1.33 0.00 0.00 58.87 56.03 3ddu n SER 444 Cb 0.45 -0.86 0.20 0.00 -0.75 0.00 0.00 64.21 63.26 3ddu n SER 444 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3ddu h LYS 445 N 0.00 0.42 -0.20 -1.46 3.64 -1.88 -0.45 116.57 116.63 3ddu h LYS 445 Ca -0.38 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3ddu h LYS 445 Cb 1.12 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3ddu h LYS 445 CO 0.30 0.28 0.00 -0.40 -2.27 0.00 0.00 179.45 177.35 3ddu n ASP 446 N -5.02 1.47 0.00 4.20 5.68 -1.26 -4.90 116.55 116.71 3ddu n ASP 446 Ca 0.15 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3ddu n ASP 446 Cb 0.44 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3ddu n ASP 446 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ddu n GLY 447 N 1.04 1.59 3.74 6.12 0.00 -0.18 -5.04 105.19 112.45 3ddu n GLY 447 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3ddu n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ddu s THR 448 N -2.33 2.17 -0.09 2.61 2.01 -1.26 -4.49 115.64 114.24 3ddu s THR 448 Ca 0.00 0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.85 3ddu s THR 448 Cb 0.00 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3ddu s THR 448 CO 0.00 0.02 0.91 -0.54 -0.69 0.00 0.00 174.62 174.32 3ddu s LYS 449 N 0.28 4.42 -0.12 4.92 -0.14 -1.26 -0.36 119.74 127.49 3ddu s LYS 449 Ca 0.68 1.23 -0.00 0.00 -1.36 0.00 0.00 55.97 56.51 3ddu s LYS 449 Cb -0.47 -3.52 -0.02 0.00 -1.68 0.00 0.00 37.83 32.13 3ddu s LYS 449 CO 0.40 -0.21 -0.10 0.42 -0.76 0.00 0.00 175.35 175.10 3ddu s ILE 450 N 1.67 3.36 0.50 2.17 -1.09 0.59 -4.88 121.20 123.52 3ddu s ILE 450 Ca 0.45 -0.57 -0.20 0.00 -2.23 0.00 0.00 60.65 58.10 3ddu s ILE 450 Cb -0.18 -2.41 -0.08 0.00 -1.58 0.00 0.00 42.46 38.21 3ddu s ILE 450 CO 0.19 0.53 1.07 -2.84 -1.23 0.00 0.00 174.94 172.66 3ddu s PRO 451 N 0.07 3.68 -0.07 2.79 0.02 -1.26 -1.40 135.00 138.82 3ddu s PRO 451 Ca -0.04 1.46 -0.04 0.00 0.02 0.00 0.00 61.00 62.40 3ddu s PRO 451 Cb -0.14 -2.10 0.03 0.00 0.02 0.00 0.00 34.50 32.31 3ddu s PRO 451 CO 0.04 -0.55 0.18 1.41 -0.33 0.00 0.00 177.00 177.74 3ddu s MET 452 N -3.19 0.16 0.07 5.54 1.75 0.18 -0.83 119.30 122.97 3ddu s MET 452 Ca 0.68 0.37 -0.15 0.00 -1.25 0.00 0.00 55.69 55.34 3ddu s MET 452 Cb -0.19 -0.07 -0.06 0.00 2.84 0.00 0.00 34.83 37.34 3ddu s MET 452 CO 0.23 -0.12 0.49 -0.06 -0.65 0.00 0.00 175.02 174.91 3ddu s PHE 453 N 0.84 3.71 -0.04 4.11 0.08 -0.36 -1.15 117.98 125.17 3ddu s PHE 453 Ca -0.06 1.07 0.02 0.00 0.12 0.00 0.00 56.93 58.08 3ddu s PHE 453 Cb -0.08 -2.36 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 3ddu s PHE 453 CO -0.05 0.56 -0.07 0.42 -0.10 0.00 0.00 175.22 175.99 3ddu s ILE 454 N -1.22 0.65 -0.07 0.64 1.01 -0.34 -1.43 121.20 120.45 3ddu s ILE 454 Ca 0.30 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.74 3ddu s ILE 454 Cb -0.17 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.68 3ddu s ILE 454 CO 0.17 0.23 -0.15 -0.69 0.00 0.00 0.00 174.94 174.50 3ddu s VAL 455 N 0.57 1.35 0.29 2.92 1.01 -0.21 -0.90 120.40 125.43 3ddu s VAL 455 Ca -0.08 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 3ddu s VAL 455 Cb -0.12 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3ddu s VAL 455 CO 0.01 0.40 0.60 -1.38 0.00 0.00 0.00 175.10 174.73 3ddu s HIS 456 N 0.50 0.25 0.35 5.22 -3.43 -0.69 -1.10 115.29 116.39 3ddu s HIS 456 Ca -0.14 -0.68 -0.29 0.00 -0.80 0.00 0.00 55.06 53.16 3ddu s HIS 456 Cb -0.15 0.41 -0.11 0.00 -1.43 0.00 0.00 32.58 31.30 3ddu s HIS 456 CO 0.04 -1.18 1.46 0.21 -2.00 0.00 0.00 174.74 173.28 3ddu s LYS 457 N -3.59 4.17 0.31 -0.38 2.20 -1.26 -0.72 119.74 120.46 3ddu s LYS 457 Ca 0.19 2.48 -0.29 0.00 -0.36 0.00 0.00 55.97 57.99 3ddu s LYS 457 Cb -0.03 -3.00 -0.11 0.00 -1.51 0.00 0.00 37.83 33.18 3ddu s LYS 457 CO 0.10 -0.47 1.51 0.15 -0.36 0.00 0.00 175.35 176.29 3ddu s LYS 458 N -1.73 4.17 0.00 4.03 1.02 -0.43 -3.57 119.74 123.22 3ddu s LYS 458 Ca 0.54 2.48 0.00 0.00 0.02 0.00 0.00 55.97 59.01 3ddu s LYS 458 Cb -0.45 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 3ddu s LYS 458 CO 0.58 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 3ddu n GLY 459 N 1.66 0.73 3.74 -3.33 0.00 -1.26 -5.02 105.19 101.71 3ddu n GLY 459 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3ddu n GLY 459 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ddu s ILE 460 N -2.42 2.66 0.01 -0.61 -4.36 -1.23 -5.01 121.20 110.23 3ddu s ILE 460 Ca 0.00 0.30 -0.21 0.00 -0.26 0.00 0.00 60.65 60.48 3ddu s ILE 460 Cb 0.00 -2.81 -0.05 0.00 1.25 0.00 0.00 42.46 40.84 3ddu s ILE 460 CO 0.00 -0.19 0.62 -0.54 0.24 0.00 0.00 174.94 175.07 3ddu s LYS 461 N -4.06 4.34 -1.35 0.37 1.02 -1.26 -4.98 119.74 113.82 3ddu s LYS 461 Ca 0.71 0.79 -0.09 0.00 0.02 0.00 0.00 55.97 57.39 3ddu s LYS 461 Cb -0.25 -3.34 0.12 0.00 -0.52 0.00 0.00 37.83 33.83 3ddu s LYS 461 CO 0.45 0.37 2.12 1.28 -0.92 0.00 0.00 175.35 178.65 3ddu n LEU 462 N 2.69 7.13 -0.86 3.17 4.77 -1.26 -4.59 117.00 128.06 3ddu n LEU 462 Ca -0.06 -4.58 0.07 0.00 -0.03 0.00 0.00 56.01 51.41 3ddu n LEU 462 Cb 0.51 -1.50 0.22 0.00 -2.33 0.00 0.00 43.42 40.32 3ddu n LEU 462 CO 0.44 1.52 0.68 -0.90 -1.33 0.00 0.00 177.39 177.80 3ddu n ASP 463 N 3.84 3.49 0.00 -1.43 5.68 -0.98 -4.45 116.55 122.71 3ddu n ASP 463 Ca 0.49 -2.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 3ddu n ASP 463 Cb 0.34 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 3ddu n ASP 463 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ddu n GLY 464 N 0.28 0.60 0.05 6.12 0.00 0.45 -4.91 105.19 107.77 3ddu n GLY 464 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3ddu n GLY 464 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ddu n SER 465 N -0.10 0.46 -4.86 1.61 3.41 -1.26 -3.08 113.62 109.80 3ddu n SER 465 Ca 0.00 -0.22 -0.37 0.00 -0.26 0.00 0.00 58.87 58.02 3ddu n SER 465 Cb 0.05 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 3ddu n SER 465 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3ddu s HIS 466 N -2.86 3.66 0.43 7.33 3.76 -1.24 -5.00 115.29 121.36 3ddu s HIS 466 Ca 0.16 0.75 -0.24 0.00 -0.15 0.00 0.00 55.06 55.58 3ddu s HIS 466 Cb 0.18 -2.11 -0.08 0.00 1.11 0.00 0.00 32.58 31.69 3ddu s HIS 466 CO 0.61 0.69 1.16 -1.25 -0.85 0.00 0.00 174.74 175.09 3ddu s PRO 467 N -1.11 3.92 0.09 8.40 0.04 -1.26 -4.32 135.00 140.76 3ddu s PRO 467 Ca 0.20 1.78 0.07 0.00 0.04 0.00 0.00 61.00 63.09 3ddu s PRO 467 Cb -0.14 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 3ddu s PRO 467 CO 0.09 -0.42 -0.17 0.00 0.04 0.00 0.00 177.00 176.54 3ddu s ALA 468 N -1.50 1.51 -0.24 8.56 0.00 -0.75 -0.92 121.76 128.42 3ddu s ALA 468 Ca 0.60 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.41 3ddu s ALA 468 Cb -0.29 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 22.74 3ddu s ALA 468 CO 0.36 0.24 -0.04 0.12 0.00 0.00 0.00 175.76 176.44 3ddu s PHE 469 N -1.38 2.33 -0.21 0.00 5.36 0.13 -0.90 117.98 123.30 3ddu s PHE 469 Ca 0.04 -1.74 -0.04 0.00 -0.96 0.00 0.00 56.93 54.22 3ddu s PHE 469 Cb -0.09 -1.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.98 3ddu s PHE 469 CO 0.03 -0.77 -0.02 -1.17 -1.46 0.00 0.00 175.22 171.82 3ddu s LEU 470 N 1.42 3.04 -0.01 6.12 2.96 -0.04 -0.81 118.68 131.36 3ddu s LEU 470 Ca -0.04 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3ddu s LEU 470 Cb -0.19 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3ddu s LEU 470 CO -0.07 0.01 -0.12 -0.47 -1.32 0.00 0.00 176.35 174.39 3ddu s TYR 471 N 1.29 2.76 0.17 5.38 5.04 0.24 -1.29 117.35 130.94 3ddu s TYR 471 Ca 0.04 -0.12 -0.17 0.00 -2.44 0.00 0.00 57.07 54.38 3ddu s TYR 471 Cb -0.14 -1.59 0.03 0.00 0.35 0.00 0.00 41.96 40.61 3ddu s TYR 471 CO -0.01 0.29 0.48 0.20 -1.34 0.00 0.00 175.55 175.17 3ddu s GLY 472 N -1.19 -0.11 0.00 8.97 0.00 -1.07 -2.00 107.32 111.91 3ddu s GLY 472 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.66 3ddu s GLY 472 CO 0.05 -0.31 0.00 2.98 0.00 0.00 0.00 173.10 175.82 3ddu n TYR 473 N -0.30 0.00 -1.42 1.90 9.36 -1.26 -4.41 117.16 121.02 3ddu n TYR 473 Ca -0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.11 3ddu n TYR 473 Cb 0.63 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 39.36 3ddu n TYR 473 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3ddu n GLY 474 N 2.90 0.01 0.00 2.98 0.00 -1.26 -4.16 105.19 105.66 3ddu n GLY 474 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3ddu n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddu n GLY 475 N -1.05 1.46 2.51 -0.02 0.00 -1.08 -4.61 105.19 102.41 3ddu n GLY 475 Ca 0.00 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 3ddu n GLY 475 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ddu n PHE 476 N -0.51 -0.36 -1.62 1.61 3.01 -1.06 -1.78 117.46 116.75 3ddu n PHE 476 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 3ddu n PHE 476 Cb 0.00 -3.58 -0.08 0.00 -0.01 0.00 0.00 39.48 35.81 3ddu n PHE 476 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3ddu n ASN 477 N -1.50 -5.38 -4.71 4.37 5.15 -0.95 -4.93 115.26 107.31 3ddu n ASN 477 Ca -0.22 0.45 -0.39 0.00 -0.60 0.00 0.00 54.58 53.83 3ddu n ASN 477 Cb 0.67 -4.60 -0.05 0.00 -0.53 0.00 0.00 39.78 35.27 3ddu n ASN 477 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ddu s ILE 478 N -2.75 5.11 -0.16 -1.44 1.01 -0.73 -3.27 121.20 118.97 3ddu s ILE 478 Ca 0.00 1.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.74 3ddu s ILE 478 Cb 0.00 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 3ddu s ILE 478 CO 0.00 0.27 0.14 -0.44 0.00 0.00 0.00 174.94 174.91 3ddu s SER 479 N 0.76 6.30 -0.74 3.58 0.01 -1.26 -2.66 113.70 119.68 3ddu s SER 479 Ca 0.31 0.35 -0.15 0.00 1.31 0.00 0.00 55.95 57.77 3ddu s SER 479 Cb -0.16 -2.08 0.19 0.00 0.21 0.00 0.00 66.02 64.18 3ddu s SER 479 CO 0.13 0.28 0.69 -0.63 0.41 0.00 0.00 173.24 174.13 3ddu s ILE 480 N -0.25 5.49 0.33 1.44 -1.09 -1.26 -4.98 121.20 120.88 3ddu s ILE 480 Ca 0.11 -2.18 0.07 0.00 -2.23 0.00 0.00 60.65 56.43 3ddu s ILE 480 Cb -0.12 -4.43 -0.03 0.00 -1.58 0.00 0.00 42.46 36.30 3ddu s ILE 480 CO 0.01 -0.99 0.29 0.42 -1.23 0.00 0.00 174.94 173.44 3ddu s THR 481 N 0.60 3.60 0.32 2.92 -4.23 -1.26 -4.94 115.64 112.65 3ddu s THR 481 Ca 0.14 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 58.99 3ddu s THR 481 Cb -0.16 -3.20 -0.11 0.00 1.34 0.00 0.00 72.50 70.37 3ddu s THR 481 CO -0.05 -0.18 1.50 -2.84 -0.54 0.00 0.00 174.62 172.50 3ddu s PRO 482 N -3.99 4.17 0.02 3.99 0.02 -1.26 -4.97 135.00 132.98 3ddu s PRO 482 Ca 0.41 2.49 -0.07 0.00 0.02 0.00 0.00 61.00 63.84 3ddu s PRO 482 Cb -0.06 -3.02 -0.00 0.00 0.02 0.00 0.00 34.50 31.44 3ddu s PRO 482 CO 0.27 -0.51 0.14 -0.80 -0.33 0.00 0.00 177.00 175.76 3ddu s ASN 483 N 0.14 0.07 -0.21 2.53 0.02 -1.26 -3.79 114.94 112.45 3ddu s ASN 483 Ca 0.57 -0.34 -0.28 0.00 -1.02 0.00 0.00 52.86 51.79 3ddu s ASN 483 Cb -0.45 0.23 0.00 0.00 0.02 0.00 0.00 41.25 41.05 3ddu s ASN 483 CO 0.53 -0.46 1.00 -0.47 0.02 0.00 0.00 177.10 177.72 3ddu s TYR 484 N -2.02 3.37 -0.26 2.20 5.04 -0.62 -4.05 117.35 121.01 3ddu s TYR 484 Ca -0.10 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 3ddu s TYR 484 Cb -0.04 -3.22 0.08 0.00 0.35 0.00 0.00 41.96 39.13 3ddu s TYR 484 CO -0.01 -0.42 0.02 0.45 -1.34 0.00 0.00 175.55 174.25 3ddu s SER 485 N 1.20 3.84 0.21 4.32 0.15 -1.26 -4.99 113.70 117.17 3ddu s SER 485 Ca 0.43 -1.36 -0.08 0.00 0.70 0.00 0.00 55.95 55.64 3ddu s SER 485 Cb -0.16 -1.04 0.17 0.00 -1.71 0.00 0.00 66.02 63.28 3ddu s SER 485 CO 0.08 -0.31 1.82 0.58 1.20 0.00 0.00 173.24 176.61 3ddu h VAL 486 N 6.59 1.25 -0.73 4.45 2.07 -1.94 -2.38 116.25 125.55 3ddu h VAL 486 Ca -0.15 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.72 3ddu h VAL 486 Cb 1.06 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3ddu h VAL 486 CO 0.43 0.29 0.47 0.77 0.02 0.00 0.00 177.57 179.55 3ddu h SER 487 N 1.13 0.84 -0.37 0.57 4.64 -1.96 -0.94 113.55 117.46 3ddu h SER 487 Ca 0.28 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 3ddu h SER 487 Cb 0.08 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3ddu h SER 487 CO -0.04 0.61 -0.29 0.03 -0.87 0.00 0.00 176.83 176.28 3ddu h ARG 488 N 0.98 0.89 -0.22 4.77 3.08 -1.95 -3.02 114.38 118.91 3ddu h ARG 488 Ca 0.26 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 3ddu h ARG 488 Cb -0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3ddu h ARG 488 CO -0.06 1.06 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.73 3ddu h LEU 489 N 0.75 0.34 -1.01 3.04 3.38 -0.92 -2.16 115.31 118.73 3ddu h LEU 489 Ca 0.09 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ddu h LEU 489 Cb 0.85 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3ddu h LEU 489 CO 0.07 0.48 0.31 0.40 0.09 0.00 0.00 178.44 179.80 3ddu h ILE 490 N 0.34 1.23 -0.89 1.22 2.04 -1.07 -0.22 117.51 120.16 3ddu h ILE 490 Ca 0.07 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.25 3ddu h ILE 490 Cb 0.40 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3ddu h ILE 490 CO 0.02 0.28 0.59 0.15 0.00 0.00 0.00 178.15 179.19 3ddu h PHE 491 N 1.00 1.12 0.43 1.37 3.57 -1.29 0.22 116.94 123.36 3ddu h PHE 491 Ca 0.24 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3ddu h PHE 491 Cb 0.14 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.51 3ddu h PHE 491 CO 0.01 0.70 -0.21 0.28 -2.23 0.00 0.00 178.31 176.86 3ddu h VAL 492 N 1.20 0.54 -0.10 1.41 2.07 -1.02 -0.94 116.25 119.40 3ddu h VAL 492 Ca 0.33 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 3ddu h VAL 492 Cb -0.13 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3ddu h VAL 492 CO -0.08 0.06 -0.33 -0.09 0.02 0.00 0.00 177.57 177.15 3ddu h ARG 493 N -0.80 0.41 -0.00 1.57 9.65 -0.93 -2.16 114.38 122.11 3ddu h ARG 493 Ca -0.06 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 3ddu h ARG 493 Cb 0.54 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 3ddu h ARG 493 CO 0.10 0.92 -0.67 0.72 2.80 0.00 0.00 179.97 183.84 3ddu n HIS 494 N -4.39 0.00 -0.19 2.20 8.25 0.77 -4.34 115.22 117.51 3ddu n HIS 494 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3ddu n HIS 494 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 3ddu n HIS 494 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3ddu n MET 495 N -0.95 1.94 -1.85 -0.41 2.81 -0.71 -0.00 117.12 117.94 3ddu n MET 495 Ca 0.05 -1.17 -0.14 0.00 -1.81 0.00 0.00 57.70 54.63 3ddu n MET 495 Cb 0.31 -0.90 -0.03 0.00 -0.71 0.00 0.00 33.22 31.88 3ddu n MET 495 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ddu n GLY 496 N -0.34 0.59 3.93 3.03 0.00 -0.82 -4.80 105.19 106.77 3ddu n GLY 496 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 3ddu n GLY 496 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ddu s GLY 497 N -2.60 1.63 -0.06 -0.02 0.00 -0.44 -4.32 107.32 101.51 3ddu s GLY 497 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.91 3ddu s GLY 497 CO 0.00 -0.56 -0.15 -0.42 0.00 0.00 0.00 173.10 171.97 3ddu s ILE 498 N -2.95 2.96 -0.07 0.90 -1.09 -0.10 -4.30 121.20 116.56 3ddu s ILE 498 Ca 0.54 -0.75 -0.03 0.00 -2.23 0.00 0.00 60.65 58.19 3ddu s ILE 498 Cb -0.10 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.58 3ddu s ILE 498 CO 0.43 0.58 0.06 -0.76 -1.23 0.00 0.00 174.94 174.02 3ddu s LEU 499 N -0.54 3.87 -0.06 2.97 1.43 -0.26 -0.70 118.68 125.39 3ddu s LEU 499 Ca 0.07 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 3ddu s LEU 499 Cb -0.11 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.11 3ddu s LEU 499 CO 0.01 0.35 0.19 0.00 0.23 0.00 0.00 176.35 177.14 3ddu s ALA 500 N -1.01 -0.48 -0.12 4.21 0.00 0.01 -1.05 121.76 123.33 3ddu s ALA 500 Ca 0.17 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3ddu s ALA 500 Cb -0.12 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3ddu s ALA 500 CO 0.06 -0.12 -0.13 0.08 0.00 0.00 0.00 175.76 175.64 3ddu s VAL 501 N -0.23 1.44 -0.25 0.00 1.01 -0.51 -0.60 120.40 121.26 3ddu s VAL 501 Ca -0.03 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 3ddu s VAL 501 Cb -0.03 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3ddu s VAL 501 CO 0.01 0.43 0.12 0.00 0.00 0.00 0.00 175.10 175.66 3ddu s ALA 502 N 1.28 3.39 -1.39 5.51 0.00 -0.85 -1.23 121.76 128.48 3ddu s ALA 502 Ca -0.01 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 3ddu s ALA 502 Cb -0.14 -2.23 0.08 0.00 0.00 0.00 0.00 23.12 20.83 3ddu s ALA 502 CO -0.06 -0.36 2.37 0.09 0.00 0.00 0.00 175.76 177.80 3ddu n ASN 503 N 4.65 7.08 -4.71 0.00 4.13 -0.01 -4.61 115.26 121.78 3ddu n ASN 503 Ca -0.15 -2.98 -0.30 0.00 1.68 0.00 0.00 54.58 52.82 3ddu n ASN 503 Cb 0.52 -1.46 0.14 0.00 -1.54 0.00 0.00 39.78 37.43 3ddu n ASN 503 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3ddu s ILE 504 N 0.36 2.73 0.98 2.41 -4.36 -1.26 -4.44 121.20 117.62 3ddu s ILE 504 Ca 0.53 0.24 -0.11 0.00 -0.26 0.00 0.00 60.65 61.05 3ddu s ILE 504 Cb 0.16 -2.62 0.18 0.00 1.25 0.00 0.00 42.46 41.42 3ddu s ILE 504 CO -0.06 -0.31 1.09 -0.13 0.24 0.00 0.00 174.94 175.76 3ddu s ARG 505 N -4.85 0.58 0.00 0.37 0.52 -1.26 -3.28 118.95 111.03 3ddu s ARG 505 Ca 0.64 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 3ddu s ARG 505 Cb -0.19 -1.71 0.00 0.00 0.52 0.00 0.00 34.95 33.57 3ddu s ARG 505 CO 0.57 -2.77 0.00 0.41 0.02 0.00 0.00 175.30 173.53 3ddu n GLY 506 N -0.17 2.95 2.52 -3.53 0.00 -0.21 -4.21 105.19 102.54 3ddu n GLY 506 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3ddu n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddu n GLY 507 N -0.50 -1.80 1.29 -0.02 0.00 -1.21 -2.24 105.19 100.71 3ddu n GLY 507 Ca 0.00 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.51 3ddu n GLY 507 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddu n GLY 508 N -1.36 2.42 0.34 -0.02 0.00 -1.09 -1.99 105.19 103.49 3ddu n GLY 508 Ca 0.11 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.39 3ddu n GLY 508 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ddu h GLU 509 N 4.18 0.84 -0.85 1.61 3.07 -1.88 -1.60 114.58 119.96 3ddu h GLU 509 Ca 0.00 -0.05 -0.54 0.00 -0.50 0.00 0.00 59.36 58.27 3ddu h GLU 509 Cb 0.97 -0.19 -0.43 0.00 -0.84 0.00 0.00 28.75 28.27 3ddu h GLU 509 CO 0.00 0.56 -0.83 0.66 -1.40 0.00 0.00 179.01 178.00 3ddu n TYR 510 N -4.44 2.76 -4.23 4.33 4.01 -1.26 -4.70 117.16 113.62 3ddu n TYR 510 Ca 0.07 -2.35 0.00 0.00 -0.16 0.00 0.00 57.90 55.46 3ddu n TYR 510 Cb 0.07 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 3ddu n TYR 510 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ddu n GLY 511 N -0.67 -1.02 0.23 2.72 0.00 -0.60 -3.45 105.19 102.40 3ddu n GLY 511 Ca 0.41 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 45.30 3ddu n GLY 511 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ddu h GLU 512 N 0.00 0.00 -0.11 1.61 4.57 -1.24 -1.25 114.58 118.16 3ddu h GLU 512 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 3ddu h GLU 512 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3ddu h GLU 512 CO 0.00 0.23 -0.33 1.79 -1.18 0.00 0.00 179.01 179.52 3ddu h THR 513 N 0.00 1.27 -0.22 0.32 1.35 -1.81 0.77 112.91 114.59 3ddu h THR 513 Ca -0.00 -1.30 -0.14 0.00 -0.55 0.00 0.00 66.41 64.42 3ddu h THR 513 Cb 0.51 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3ddu h THR 513 CO 0.03 0.39 -0.39 -0.25 -0.25 0.00 0.00 175.52 175.05 3ddu h TRP 514 N 0.19 0.82 0.15 4.73 2.91 -1.28 -2.08 115.95 121.39 3ddu h TRP 514 Ca 0.02 -0.29 -0.01 0.00 1.13 0.00 0.00 58.89 59.75 3ddu h TRP 514 Cb 0.68 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.18 3ddu h TRP 514 CO 0.01 1.05 -0.07 1.25 -1.03 0.00 0.00 178.44 179.65 3ddu h HIS 515 N 0.35 -0.19 0.00 2.65 2.76 -0.75 -0.47 115.15 119.50 3ddu h HIS 515 Ca 0.01 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3ddu h HIS 515 Cb 0.99 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.01 3ddu h HIS 515 CO 0.09 -0.12 -0.06 0.87 -1.30 0.00 0.00 177.93 177.41 3ddu h LYS 516 N -0.21 0.00 0.00 5.26 1.57 -0.83 -1.30 116.57 121.06 3ddu h LYS 516 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ddu h LYS 516 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3ddu h LYS 516 CO 0.03 0.06 0.00 0.41 -0.57 0.00 0.00 179.45 179.38 3ddu n GLY 517 N -0.93 -0.91 1.83 3.86 0.00 -0.79 -3.33 105.19 104.92 3ddu n GLY 517 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 3ddu n GLY 517 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddu n GLY 518 N 0.15 2.84 3.25 -0.02 0.00 -0.49 -4.61 105.19 106.31 3ddu n GLY 518 Ca 0.07 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 3ddu n GLY 518 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ddu s ILE 519 N -2.48 0.92 0.00 -0.61 -4.36 -1.21 -4.42 121.20 109.04 3ddu s ILE 519 Ca 0.35 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 3ddu s ILE 519 Cb 0.37 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 42.10 3ddu s ILE 519 CO -0.08 -0.62 0.00 0.18 0.24 0.00 0.00 174.94 174.66 3ddu n LEU 520 N -0.22 0.00 0.32 0.37 4.77 0.68 -0.69 117.00 122.22 3ddu n LEU 520 Ca -0.09 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.10 3ddu n LEU 520 Cb 0.62 0.00 1.03 0.00 -2.33 0.00 0.00 43.42 42.74 3ddu n LEU 520 CO 0.33 0.00 1.12 0.00 -1.33 0.00 0.00 177.39 177.51 3ddu h ALA 521 N -0.96 1.06 -0.65 -1.18 0.00 -1.90 -2.36 119.26 113.27 3ddu h ALA 521 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ddu h ALA 521 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ddu h ALA 521 CO 0.00 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.35 3ddu n ASN 522 N -3.18 3.75 -0.11 0.00 3.02 0.13 -4.47 115.26 114.39 3ddu n ASN 522 Ca -0.02 -2.10 0.09 0.00 -0.03 0.00 0.00 54.58 52.52 3ddu n ASN 522 Cb 0.14 -0.47 0.44 0.00 -0.61 0.00 0.00 39.78 39.28 3ddu n ASN 522 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3ddu h LYS 523 N 3.83 0.54 -0.17 3.52 1.63 -1.31 -0.87 116.57 123.73 3ddu h LYS 523 Ca 0.00 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 3ddu h LYS 523 Cb 1.00 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.50 3ddu h LYS 523 CO 0.05 0.36 0.17 0.37 -3.45 0.00 0.00 179.45 176.95 3ddu h GLN 524 N 0.55 0.00 -0.98 1.90 5.75 -1.85 -0.77 115.11 119.72 3ddu h GLN 524 Ca 0.28 0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.94 3ddu h GLN 524 Cb 0.39 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.85 3ddu h GLN 524 CO -0.09 0.00 0.61 -0.91 -2.65 0.00 0.00 178.83 175.80 3ddu h ASN 525 N 0.00 0.79 -0.26 -0.69 2.35 -1.42 -0.84 115.58 115.51 3ddu h ASN 525 Ca 0.08 0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.94 3ddu h ASN 525 Cb 0.42 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 3ddu h ASN 525 CO -0.00 0.35 0.01 0.00 -1.65 0.00 0.00 177.43 176.14 3ddu h PHE 527 N 0.09 0.98 -0.20 0.00 0.04 -1.46 -1.32 116.94 115.07 3ddu h PHE 527 Ca 0.12 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 3ddu h PHE 527 Cb 0.16 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 3ddu h PHE 527 CO -0.20 1.04 0.10 -0.44 -0.60 0.00 0.00 178.31 178.22 3ddu h ASP 528 N 0.64 0.26 -0.61 2.17 3.32 -0.99 0.16 116.42 121.37 3ddu h ASP 528 Ca 0.08 -0.11 0.11 0.00 0.02 0.00 0.00 57.03 57.13 3ddu h ASP 528 Cb 0.82 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.22 3ddu h ASP 528 CO 0.07 0.29 0.16 0.44 -1.72 0.00 0.00 179.24 178.48 3ddu h ASP 529 N 0.21 0.08 -0.20 6.45 3.32 -0.44 -0.38 116.42 125.46 3ddu h ASP 529 Ca 0.07 0.10 -0.21 0.00 0.02 0.00 0.00 57.03 57.01 3ddu h ASP 529 Cb 0.10 0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.77 3ddu h ASP 529 CO -0.01 0.05 -0.68 0.15 -1.72 0.00 0.00 179.24 177.02 3ddu h PHE 530 N 0.31 1.08 -0.87 4.55 3.57 -0.88 -1.70 116.94 123.01 3ddu h PHE 530 Ca 0.32 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3ddu h PHE 530 Cb 0.45 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 3ddu h PHE 530 CO -0.22 1.28 0.56 1.96 -2.23 0.00 0.00 178.31 179.66 3ddu h GLN 531 N 0.58 1.15 -0.04 1.11 4.20 -0.78 -2.03 115.11 119.30 3ddu h GLN 531 Ca -0.03 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 3ddu h GLN 531 Cb 1.31 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 3ddu h GLN 531 CO 0.15 0.78 -0.41 0.00 -0.67 0.00 0.00 178.83 178.68 3ddu h ALA 533 N 1.51 0.41 -0.48 0.00 0.00 -0.64 -0.34 119.26 119.73 3ddu h ALA 533 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3ddu h ALA 533 Cb 0.76 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3ddu h ALA 533 CO 0.06 0.01 0.28 0.00 0.00 0.00 0.00 179.25 179.59 3ddu h ALA 534 N 0.97 0.61 -0.74 0.00 0.00 -0.99 -1.88 119.26 117.24 3ddu h ALA 534 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ddu h ALA 534 Cb 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ddu h ALA 534 CO -0.01 -0.03 0.46 0.93 0.00 0.00 0.00 179.25 180.60 3ddu h GLU 535 N 0.56 0.99 -0.10 0.00 5.08 -0.89 -1.77 114.58 118.46 3ddu h GLU 535 Ca 0.20 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ddu h GLU 535 Cb 0.03 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3ddu h GLU 535 CO -0.10 0.68 0.04 -0.92 -1.00 0.00 0.00 179.01 177.72 3ddu h TYR 536 N 1.01 0.14 -0.61 4.33 5.03 -0.70 0.19 116.97 126.36 3ddu h TYR 536 Ca 0.27 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.57 3ddu h TYR 536 Cb -0.07 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.14 3ddu h TYR 536 CO 0.00 0.23 0.37 -0.07 -1.32 0.00 0.00 178.16 177.37 3ddu h LEU 537 N 0.01 0.73 0.05 2.82 3.38 -0.93 -0.07 115.31 121.30 3ddu h LEU 537 Ca 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ddu h LEU 537 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3ddu h LEU 537 CO -0.00 0.56 -0.03 0.40 0.09 0.00 0.00 178.44 179.46 3ddu h ILE 538 N 0.84 1.29 -0.96 1.22 2.04 -1.16 -0.27 117.51 120.50 3ddu h ILE 538 Ca 0.22 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.73 3ddu h ILE 538 Cb -0.03 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 3ddu h ILE 538 CO -0.04 0.34 0.63 0.50 0.00 0.00 0.00 178.15 179.57 3ddu h LYS 539 N -0.72 1.16 -0.01 2.37 3.11 -0.34 -2.20 116.57 119.94 3ddu h LYS 539 Ca -0.01 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 3ddu h LYS 539 Cb 0.61 -0.26 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 3ddu h LYS 539 CO 0.01 0.77 -0.07 0.39 -2.81 0.00 0.00 179.45 177.74 3ddu n GLU 540 N -4.45 1.00 -0.52 1.90 -0.58 -0.06 -4.92 120.64 113.00 3ddu n GLU 540 Ca 0.13 -0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 3ddu n GLU 540 Cb 0.11 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3ddu n GLU 540 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ddu n GLY 541 N 1.20 0.71 0.20 0.62 0.00 -0.83 -4.87 105.19 102.23 3ddu n GLY 541 Ca 0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 3ddu n GLY 541 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ddu h TYR 542 N 0.00 0.54 -2.69 1.61 0.05 -1.28 0.14 116.97 115.34 3ddu h TYR 542 Ca 0.00 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.55 3ddu h TYR 542 Cb 0.00 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 3ddu h TYR 542 CO 0.00 0.86 0.09 -2.37 -1.05 0.00 0.00 178.16 175.69 3ddu n THR 543 N -3.97 0.00 -4.15 -2.88 5.66 -1.13 -3.73 114.28 104.09 3ddu n THR 543 Ca -0.02 -0.66 -0.11 0.00 -3.05 0.00 0.00 64.05 60.21 3ddu n THR 543 Cb 0.57 0.56 -0.10 0.00 -1.55 0.00 0.00 70.33 69.80 3ddu n THR 543 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3ddu s SER 544 N -2.15 1.11 0.24 1.09 0.01 -1.18 -4.34 113.70 108.49 3ddu s SER 544 Ca 0.11 -0.91 -0.04 0.00 1.31 0.00 0.00 55.95 56.42 3ddu s SER 544 Cb -0.02 0.08 0.44 0.00 0.21 0.00 0.00 66.02 66.72 3ddu s SER 544 CO 0.08 -0.40 1.77 -0.65 0.41 0.00 0.00 173.24 174.44 3ddu h PRO 545 N 3.29 0.58 0.00 12.44 0.11 -1.88 -0.18 132.00 146.35 3ddu h PRO 545 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3ddu h PRO 545 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ddu h PRO 545 CO 0.59 0.38 0.00 1.57 -0.21 0.00 0.00 178.00 180.34 3ddu h LYS 546 N 0.60 0.00 -0.25 1.05 -0.00 -1.85 -0.30 116.57 115.82 3ddu h LYS 546 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.06 3ddu h LYS 546 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.75 3ddu h LYS 546 CO -0.33 0.00 0.00 0.54 -0.00 0.00 0.00 179.45 179.66 3ddu n ARG 547 N -3.08 2.28 -3.70 0.07 1.74 -0.11 -4.37 116.66 109.49 3ddu n ARG 547 Ca -0.01 -2.07 -0.36 0.00 -0.77 0.00 0.00 57.85 54.64 3ddu n ARG 547 Cb 0.21 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 3ddu n ARG 547 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3ddu s LEU 548 N -1.55 4.07 -0.14 0.55 2.96 -0.90 -1.81 118.68 121.86 3ddu s LEU 548 Ca 0.32 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.30 3ddu s LEU 548 Cb 0.20 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3ddu s LEU 548 CO 0.29 0.08 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.50 3ddu s THR 549 N 0.97 4.21 0.05 3.68 2.01 -0.08 -0.64 115.64 125.84 3ddu s THR 549 Ca 0.07 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.86 3ddu s THR 549 Cb -0.13 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3ddu s THR 549 CO 0.04 0.52 -0.06 0.27 -0.69 0.00 0.00 174.62 174.69 3ddu s ILE 550 N -0.01 3.65 -0.03 1.82 -4.36 -0.42 -0.86 121.20 120.98 3ddu s ILE 550 Ca 0.03 -0.97 -0.06 0.00 -0.26 0.00 0.00 60.65 59.39 3ddu s ILE 550 Cb -0.13 -2.66 0.01 0.00 1.25 0.00 0.00 42.46 40.93 3ddu s ILE 550 CO 0.02 0.25 0.13 0.21 0.24 0.00 0.00 174.94 175.79 3ddu s ASN 551 N -1.85 -0.07 0.12 4.36 3.84 -0.41 -1.21 114.94 119.72 3ddu s ASN 551 Ca 0.20 0.07 -0.25 0.00 0.21 0.00 0.00 52.86 53.10 3ddu s ASN 551 Cb -0.11 0.26 0.08 0.00 -0.55 0.00 0.00 41.25 40.92 3ddu s ASN 551 CO 0.12 -0.18 0.70 -0.83 -2.79 0.00 0.00 177.10 174.11 3ddu s GLY 552 N -0.54 -0.54 -0.01 1.21 0.00 -1.14 -2.61 107.32 103.68 3ddu s GLY 552 Ca -0.06 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.31 3ddu s GLY 552 CO 0.01 0.20 -0.19 -0.32 0.00 0.00 0.00 173.10 172.79 3ddu s GLY 553 N -2.68 0.93 0.00 0.20 0.00 -1.26 -1.45 107.32 103.07 3ddu s GLY 553 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3ddu s GLY 553 CO -0.11 -0.69 0.00 -1.26 0.00 0.00 0.00 173.10 171.04 3ddu n SER 554 N 2.58 0.00 0.20 1.64 2.88 0.94 -0.21 113.62 121.65 3ddu n SER 554 Ca -0.15 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.54 3ddu n SER 554 Cb 0.53 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 64.76 3ddu n SER 554 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3ddu h ASN 555 N 0.00 0.00 0.94 -3.46 -1.24 -1.90 0.23 115.58 110.15 3ddu h ASN 555 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 3ddu h ASN 555 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3ddu h ASN 555 CO 0.00 0.00 -0.31 1.23 -1.29 0.00 0.00 177.43 177.06 3ddu h GLY 556 N 0.00 0.00 1.02 1.57 0.00 -0.75 -1.87 103.07 103.04 3ddu h GLY 556 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 3ddu h GLY 556 CO -0.00 0.00 -0.29 -1.33 0.00 0.00 0.00 176.54 174.92 3ddu h GLY 557 N 2.19 0.86 0.61 4.60 0.00 -0.96 -2.15 103.07 108.22 3ddu h GLY 557 Ca -0.00 -0.85 0.05 0.00 0.00 0.00 0.00 47.33 46.52 3ddu h GLY 557 CO 0.04 0.77 0.10 -2.00 0.00 0.00 0.00 176.54 175.45 3ddu h LEU 558 N 0.57 0.06 -0.07 3.11 5.85 -1.28 -1.77 115.31 121.79 3ddu h LEU 558 Ca 0.06 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3ddu h LEU 558 Cb 0.86 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 3ddu h LEU 558 CO 0.07 0.07 -0.38 0.25 -0.34 0.00 0.00 178.44 178.12 3ddu h LEU 559 N 0.23 -1.16 -0.57 2.25 5.85 -1.21 -0.29 115.31 120.41 3ddu h LEU 559 Ca 0.17 0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.89 3ddu h LEU 559 Cb 0.18 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3ddu h LEU 559 CO -0.20 -0.41 -0.70 -0.37 -0.34 0.00 0.00 178.44 176.41 3ddu h VAL 560 N -0.49 1.49 -0.30 1.05 -1.51 -1.30 -1.80 116.25 113.39 3ddu h VAL 560 Ca 0.07 -2.43 -0.05 0.00 -1.23 0.00 0.00 66.70 63.06 3ddu h VAL 560 Cb 0.60 2.32 -0.01 0.00 -2.13 0.00 0.00 31.29 32.07 3ddu h VAL 560 CO -0.34 0.69 -0.03 0.00 -1.23 0.00 0.00 177.57 176.66 3ddu h ALA 561 N 1.30 0.40 -0.75 5.19 0.00 -1.09 -1.17 119.26 123.14 3ddu h ALA 561 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3ddu h ALA 561 Cb 1.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3ddu h ALA 561 CO 0.09 0.18 0.37 0.00 0.00 0.00 0.00 179.25 179.89 3ddu h ALA 562 N 0.81 0.97 -0.45 0.00 0.00 -0.97 -2.22 119.26 117.40 3ddu h ALA 562 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3ddu h ALA 562 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ddu h ALA 562 CO 0.02 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3ddu h ALA 564 N 1.32 0.92 -0.47 0.00 0.00 -0.87 0.37 119.26 120.52 3ddu h ALA 564 Ca 0.14 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3ddu h ALA 564 Cb 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ddu h ALA 564 CO 0.02 0.48 -0.21 -0.91 0.00 0.00 0.00 179.25 178.62 3ddu h ASN 565 N 0.99 0.99 0.39 0.00 2.35 -0.96 -2.69 115.58 116.65 3ddu h ASN 565 Ca 0.24 -0.40 -0.32 0.00 -0.55 0.00 0.00 56.30 55.28 3ddu h ASN 565 Cb 0.11 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.23 3ddu h ASN 565 CO -0.03 1.17 -1.48 1.56 -1.65 0.00 0.00 177.43 176.99 3ddu h GLN 566 N 0.82 0.38 -2.03 0.81 4.20 -0.90 -3.40 115.11 114.99 3ddu h GLN 566 Ca 0.11 -0.66 -0.53 0.00 0.06 0.00 0.00 58.65 57.63 3ddu h GLN 566 Cb 0.79 0.24 -0.40 0.00 0.30 0.00 0.00 27.48 28.41 3ddu h GLN 566 CO 0.07 1.29 -1.08 0.54 -0.67 0.00 0.00 178.83 178.97 3ddu n ARG 567 N -3.59 1.11 0.27 1.46 5.12 0.10 -4.95 116.66 116.19 3ddu n ARG 567 Ca -0.16 -3.50 0.14 0.00 -1.93 0.00 0.00 57.85 52.40 3ddu n ARG 567 Cb 1.07 -1.57 0.84 0.00 -1.16 0.00 0.00 32.46 31.64 3ddu n ARG 567 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3ddu h PRO 568 N 3.51 0.00 0.00 5.56 0.13 -1.61 -1.68 132.00 137.91 3ddu h PRO 568 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ddu h PRO 568 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3ddu h PRO 568 CO 0.53 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.68 3ddu h ASP 569 N 0.00 0.00 1.19 1.44 2.03 -1.88 -3.15 116.42 116.05 3ddu h ASP 569 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 3ddu h ASP 569 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 3ddu h ASP 569 CO -0.00 0.00 -0.32 0.25 -1.03 0.00 0.00 179.24 178.14 3ddu h LEU 570 N 0.00 0.00 -8.46 0.15 5.85 -1.65 -3.46 115.31 107.74 3ddu h LEU 570 Ca 0.00 -0.10 -0.41 0.00 0.84 0.00 0.00 57.88 58.21 3ddu h LEU 570 Cb 0.36 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 41.18 3ddu h LEU 570 CO 0.00 0.05 -0.77 -0.36 -0.34 0.00 0.00 178.44 177.02 3ddu s PHE 571 N -3.14 1.25 -0.21 1.25 0.08 -1.19 -4.47 117.98 111.55 3ddu s PHE 571 Ca 0.08 -0.49 0.13 0.00 0.12 0.00 0.00 56.93 56.77 3ddu s PHE 571 Cb 0.13 -0.69 -0.23 0.00 -0.57 0.00 0.00 43.02 41.65 3ddu s PHE 571 CO 0.66 0.07 0.00 0.41 -0.10 0.00 0.00 175.22 176.27 3ddu n GLY 572 N 1.07 -0.82 3.23 4.36 0.00 0.19 -4.49 105.19 108.74 3ddu n GLY 572 Ca -0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 3ddu n GLY 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddu s VAL 574 N 0.10 0.70 -0.24 0.00 1.01 0.60 -1.30 120.40 121.28 3ddu s VAL 574 Ca -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3ddu s VAL 574 Cb -0.03 -0.72 0.05 0.00 0.00 0.00 0.00 36.38 35.68 3ddu s VAL 574 CO 0.01 0.28 -0.12 -0.63 0.00 0.00 0.00 175.10 174.63 3ddu s ILE 575 N 1.14 2.20 -0.29 2.22 1.01 -0.35 -0.93 121.20 126.19 3ddu s ILE 575 Ca -0.07 -1.46 -0.06 0.00 0.00 0.00 0.00 60.65 59.06 3ddu s ILE 575 Cb -0.14 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.13 3ddu s ILE 575 CO -0.01 0.10 0.07 0.00 0.00 0.00 0.00 174.94 175.10 3ddu s ALA 576 N 1.15 3.04 -0.13 9.38 0.00 -0.43 -2.89 121.76 131.88 3ddu s ALA 576 Ca -0.06 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 3ddu s ALA 576 Cb -0.18 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 3ddu s ALA 576 CO -0.07 -0.94 0.25 -0.65 0.00 0.00 0.00 175.76 174.35 3ddu s GLN 577 N 1.48 3.99 -1.56 0.00 -0.21 -0.53 -1.42 119.66 121.41 3ddu s GLN 577 Ca 0.02 0.04 -0.03 0.00 0.02 0.00 0.00 55.36 55.41 3ddu s GLN 577 Cb -0.17 -3.33 0.03 0.00 1.00 0.00 0.00 33.01 30.54 3ddu s GLN 577 CO 0.02 0.45 0.08 1.33 -2.12 0.00 0.00 175.29 175.05 3ddu n VAL 578 N 2.89 -0.84 -3.05 1.09 0.24 0.11 -0.04 118.33 118.73 3ddu n VAL 578 Ca -0.15 -0.42 -0.32 0.00 -2.04 0.00 0.00 64.34 61.41 3ddu n VAL 578 Cb 0.53 -0.91 -0.05 0.00 -1.47 0.00 0.00 33.84 31.94 3ddu n VAL 578 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ddu s GLY 579 N -4.20 2.17 -0.52 7.63 0.00 -1.26 -3.00 107.32 108.14 3ddu s GLY 579 Ca 0.11 -0.08 -0.23 0.00 0.00 0.00 0.00 44.72 44.52 3ddu s GLY 579 CO 0.98 0.11 0.87 0.14 0.00 0.00 0.00 173.10 175.20 3ddu s VAL 580 N -2.13 4.51 -0.09 1.40 1.01 -1.16 -4.46 120.40 119.48 3ddu s VAL 580 Ca 0.52 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.82 3ddu s VAL 580 Cb -0.10 -4.46 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 3ddu s VAL 580 CO 0.23 -0.98 0.03 0.23 0.00 0.00 0.00 175.10 174.62 3ddu n MET 581 N 7.12 2.48 -3.24 2.72 2.81 -1.26 -4.19 117.12 123.56 3ddu n MET 581 Ca 0.01 -0.00 -0.46 0.00 -1.81 0.00 0.00 57.70 55.44 3ddu n MET 581 Cb 0.47 -1.23 -0.03 0.00 -0.71 0.00 0.00 33.22 31.72 3ddu n MET 581 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3ddu s ASP 582 N -4.13 6.55 0.00 7.83 -1.08 -1.26 -1.40 116.67 123.18 3ddu s ASP 582 Ca -0.05 -2.25 0.27 0.00 -0.52 0.00 0.00 52.55 50.00 3ddu s ASP 582 Cb 0.03 -2.25 1.23 0.00 -1.46 0.00 0.00 42.92 40.47 3ddu s ASP 582 CO 0.37 -0.78 1.89 0.23 0.52 0.00 0.00 175.17 177.40 3ddu n MET 583 N 4.92 0.13 0.09 4.34 2.81 -1.26 -1.91 117.12 126.23 3ddu n MET 583 Ca 0.07 0.03 0.05 0.00 -1.81 0.00 0.00 57.70 56.04 3ddu n MET 583 Cb 0.45 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.44 3ddu n MET 583 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3ddu h LEU 584 N 0.00 0.00 -1.00 4.03 3.38 -1.91 -3.40 115.31 116.41 3ddu h LEU 584 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ddu h LEU 584 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ddu h LEU 584 CO 0.00 0.36 -0.01 0.29 0.09 0.00 0.00 178.44 179.17 3ddu n LYS 585 N -2.91 0.03 -0.06 1.13 5.02 -1.13 -4.60 118.16 115.63 3ddu n LYS 585 Ca -0.04 -0.60 0.14 0.00 -2.02 0.00 0.00 58.31 55.80 3ddu n LYS 585 Cb 0.72 -1.01 0.55 0.00 -0.02 0.00 0.00 35.03 35.26 3ddu n LYS 585 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3ddu h PHE 586 N 0.48 0.34 0.00 2.13 -5.15 -1.59 -1.08 116.94 112.07 3ddu h PHE 586 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 3ddu h PHE 586 Cb 0.11 -0.11 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3ddu h PHE 586 CO 0.00 0.15 0.00 -2.39 -2.00 0.00 0.00 178.31 174.07 3ddu n HIS 587 N -4.46 0.06 0.31 6.09 1.44 -1.26 -3.30 115.22 114.10 3ddu n HIS 587 Ca 0.10 0.02 0.14 0.00 -2.01 0.00 0.00 57.72 55.97 3ddu n HIS 587 Cb 0.43 -0.53 0.37 0.00 0.12 0.00 0.00 29.99 30.38 3ddu n HIS 587 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3ddu h LYS 588 N 0.00 0.00 -6.67 -1.40 1.57 -1.53 -3.23 116.57 105.30 3ddu h LYS 588 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 3ddu h LYS 588 Cb 0.34 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.40 3ddu h LYS 588 CO 0.00 0.00 -0.85 0.71 -0.57 0.00 0.00 179.45 178.74 3ddu s TYR 589 N -3.33 2.42 0.00 -1.35 2.02 -1.21 -4.22 117.35 111.69 3ddu s TYR 589 Ca 0.06 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 3ddu s TYR 589 Cb 0.07 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 3ddu s TYR 589 CO 0.61 0.18 0.00 0.25 -1.57 0.00 0.00 175.55 175.02 3ddu n THR 590 N 1.67 0.00 -0.08 -0.71 -2.24 -0.36 -0.34 114.28 112.22 3ddu n THR 590 Ca -0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 3ddu n THR 590 Cb 0.52 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.04 3ddu n THR 590 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddu n ILE 591 N 0.00 0.81 0.09 2.28 0.13 -1.26 -1.27 119.36 120.14 3ddu n ILE 591 Ca 0.00 -0.89 0.19 0.00 -1.10 0.00 0.00 62.75 60.95 3ddu n ILE 591 Cb 0.00 0.65 0.74 0.00 -0.84 0.00 0.00 39.64 40.19 3ddu n ILE 591 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3ddu h GLY 592 N 4.47 0.00 1.01 4.50 0.00 -0.88 -0.50 103.07 111.67 3ddu h GLY 592 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 3ddu h GLY 592 CO 0.00 0.00 0.37 1.12 0.00 0.00 0.00 176.54 178.03 3ddu h HIS 593 N 0.00 0.00 0.00 5.60 2.07 -1.75 -1.43 115.15 119.64 3ddu h HIS 593 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 3ddu h HIS 593 Cb 0.85 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.83 3ddu h HIS 593 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 3ddu h ALA 594 N 1.70 1.00 -0.01 6.11 0.00 -1.42 -3.14 119.26 123.50 3ddu h ALA 594 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ddu h ALA 594 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ddu h ALA 594 CO -0.00 0.00 -0.12 0.91 0.00 0.00 0.00 179.25 180.04 3ddu n TRP 595 N -2.78 0.00 0.31 0.00 8.01 -0.54 -1.39 117.44 121.06 3ddu n TRP 595 Ca 0.02 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.37 3ddu n TRP 595 Cb 0.32 -0.10 0.71 0.00 -2.01 0.00 0.00 31.31 30.23 3ddu n TRP 595 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 3ddu h THR 596 N 1.18 0.00 0.00 -0.99 1.35 -1.70 -1.20 112.91 111.55 3ddu h THR 596 Ca 0.00 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.52 3ddu h THR 596 Cb 0.41 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3ddu h THR 596 CO 0.00 0.00 -0.25 0.71 -0.25 0.00 0.00 175.52 175.73 3ddu h THR 597 N 0.00 0.96 0.05 6.82 1.35 -1.85 0.13 112.91 120.38 3ddu h THR 597 Ca 0.00 -0.94 -0.36 0.00 -0.55 0.00 0.00 66.41 64.56 3ddu h THR 597 Cb 0.33 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 68.24 3ddu h THR 597 CO 0.00 0.25 -2.15 0.47 -0.25 0.00 0.00 175.52 173.84 3ddu n ASP 598 N -3.92 1.66 -0.05 5.36 9.92 -0.52 -4.73 116.55 124.26 3ddu n ASP 598 Ca -0.02 0.11 -0.00 0.00 -0.53 0.00 0.00 54.79 54.35 3ddu n ASP 598 Cb 0.33 -0.40 -0.15 0.00 -0.64 0.00 0.00 41.12 40.27 3ddu n ASP 598 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3ddu n TYR 599 N -3.27 0.00 -1.02 1.24 4.01 -0.78 -0.23 117.16 117.10 3ddu n TYR 599 Ca -0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 3ddu n TYR 599 Cb 1.04 -0.69 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 3ddu n TYR 599 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ddu n GLY 600 N 1.63 -2.50 2.82 2.72 0.00 0.44 -4.56 105.19 105.75 3ddu n GLY 600 Ca -0.17 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 3ddu n GLY 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddu n SER 602 N 3.78 0.57 0.31 0.00 3.41 -1.26 -1.37 113.62 119.07 3ddu n SER 602 Ca -0.22 0.73 0.19 0.00 -0.26 0.00 0.00 58.87 59.31 3ddu n SER 602 Cb 0.54 -0.82 1.03 0.00 -0.26 0.00 0.00 64.21 64.70 3ddu n SER 602 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ddu h ASP 603 N 0.00 0.00 -3.31 4.04 3.32 -1.96 -3.41 116.42 115.10 3ddu h ASP 603 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 3ddu h ASP 603 Cb 0.10 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.56 3ddu h ASP 603 CO 0.00 0.02 -0.22 -0.55 -1.72 0.00 0.00 179.24 176.77 3ddu s SER 604 N -5.61 6.58 0.20 6.45 0.15 -0.47 -5.00 113.70 116.01 3ddu s SER 604 Ca -0.04 0.69 -0.10 0.00 0.70 0.00 0.00 55.95 57.19 3ddu s SER 604 Cb 0.13 -2.24 0.22 0.00 -1.71 0.00 0.00 66.02 62.42 3ddu s SER 604 CO 0.48 0.05 1.80 0.50 1.20 0.00 0.00 173.24 177.27 3ddu h LYS 605 N 6.66 0.60 -0.24 5.44 3.64 -1.87 0.24 116.57 131.04 3ddu h LYS 605 Ca -0.41 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 3ddu h LYS 605 Cb 1.17 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3ddu h LYS 605 CO 0.75 0.40 0.07 0.37 -2.27 0.00 0.00 179.45 178.77 3ddu h GLN 606 N 0.62 0.17 -0.14 1.90 4.15 -1.94 -2.87 115.11 116.99 3ddu h GLN 606 Ca 0.28 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.51 3ddu h GLN 606 Cb 0.19 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 3ddu h GLN 606 CO -0.19 0.11 -0.64 0.45 -1.93 0.00 0.00 178.83 176.64 3ddu h HIS 607 N 0.18 0.70 -0.81 3.99 3.86 -1.71 -2.91 115.15 118.44 3ddu h HIS 607 Ca 0.11 -0.28 0.13 0.00 -1.16 0.00 0.00 60.37 59.17 3ddu h HIS 607 Cb 0.09 -0.12 -0.09 0.00 1.06 0.00 0.00 27.41 28.35 3ddu h HIS 607 CO -0.14 1.03 0.42 0.35 0.86 0.00 0.00 177.93 180.45 3ddu h PHE 608 N 0.39 0.74 0.00 2.45 3.57 -0.84 -0.48 116.94 122.77 3ddu h PHE 608 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3ddu h PHE 608 Cb 1.21 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3ddu h PHE 608 CO 0.05 0.21 -0.22 0.93 -2.23 0.00 0.00 178.31 177.05 3ddu h GLU 609 N 0.64 0.00 0.13 1.11 4.39 -1.30 0.00 114.58 119.55 3ddu h GLU 609 Ca 0.43 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 3ddu h GLU 609 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3ddu h GLU 609 CO -0.33 0.22 -0.06 -1.49 -1.16 0.00 0.00 179.01 176.19 3ddu h TRP 610 N 0.00 -0.17 -0.56 4.33 6.55 -1.26 -3.36 115.95 121.48 3ddu h TRP 610 Ca -0.00 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.81 3ddu h TRP 610 Cb 0.40 0.06 -0.03 0.00 -0.86 0.00 0.00 29.16 28.73 3ddu h TRP 610 CO 0.00 0.26 0.27 -0.07 -1.05 0.00 0.00 178.44 177.86 3ddu h LEU 611 N -0.68 0.73 -2.04 -4.49 3.38 -0.63 -2.78 115.31 108.80 3ddu h LEU 611 Ca -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3ddu h LEU 611 Cb 0.51 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ddu h LEU 611 CO 0.03 0.66 -0.08 1.62 0.09 0.00 0.00 178.44 180.76 3ddu h VAL 612 N 0.76 0.41 0.00 1.22 3.04 -1.18 0.33 116.25 120.83 3ddu h VAL 612 Ca 0.19 -0.43 -0.10 0.00 -1.01 0.00 0.00 66.70 65.35 3ddu h VAL 612 Cb 0.12 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 3ddu h VAL 612 CO -0.02 0.08 -0.50 0.11 -1.01 0.00 0.00 177.57 176.23 3ddu h LYS 613 N 0.00 0.00 0.00 4.17 1.57 -1.63 -3.36 116.57 117.32 3ddu h LYS 613 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ddu h LYS 613 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3ddu h LYS 613 CO 0.01 0.50 0.00 2.48 -0.57 0.00 0.00 179.45 181.87 3ddu n TYR 614 N -3.65 0.00 -1.59 -1.35 0.18 -0.97 -4.97 117.16 104.81 3ddu n TYR 614 Ca -0.01 0.00 -0.55 0.00 1.88 0.00 0.00 57.90 59.22 3ddu n TYR 614 Cb 0.57 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.46 3ddu n TYR 614 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3ddu n SER 615 N -0.66 2.26 -0.31 9.48 2.88 0.07 -4.74 113.62 122.60 3ddu n SER 615 Ca 0.00 0.83 0.04 0.00 -1.33 0.00 0.00 58.87 58.41 3ddu n SER 615 Cb 0.01 -1.17 0.18 0.00 -0.75 0.00 0.00 64.21 62.47 3ddu n SER 615 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ddu h PRO 616 N 9.09 0.82 0.00 -1.46 0.11 -1.85 -1.11 132.00 137.61 3ddu h PRO 616 Ca -0.38 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ddu h PRO 616 Cb 1.32 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ddu h PRO 616 CO 0.99 0.54 -0.02 1.25 -0.21 0.00 0.00 178.00 180.55 3ddu h LEU 617 N 0.84 0.00 -2.52 2.35 5.85 -1.55 -2.76 115.31 117.52 3ddu h LEU 617 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 3ddu h LEU 617 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3ddu h LEU 617 CO -0.25 0.02 0.00 1.41 -0.34 0.00 0.00 178.44 179.28 3ddu n HIS 618 N -3.92 0.52 -1.96 1.25 8.25 -0.44 -4.45 115.22 114.47 3ddu n HIS 618 Ca -0.03 -0.37 0.04 0.00 -0.26 0.00 0.00 57.72 57.11 3ddu n HIS 618 Cb 0.10 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.28 3ddu n HIS 618 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ddu n ASN 619 N 1.03 1.11 -4.67 0.41 3.02 -1.04 -4.97 115.26 110.15 3ddu n ASN 619 Ca 0.16 -2.59 -0.43 0.00 -0.03 0.00 0.00 54.58 51.69 3ddu n ASN 619 Cb 0.49 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 3ddu n ASN 619 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ddu s VAL 620 N -1.16 4.51 -0.17 2.41 1.01 -1.24 -4.82 120.40 120.94 3ddu s VAL 620 Ca 0.26 1.82 -0.10 0.00 0.00 0.00 0.00 61.98 63.96 3ddu s VAL 620 Cb 0.27 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.54 3ddu s VAL 620 CO -0.07 -0.12 0.41 -0.75 0.00 0.00 0.00 175.10 174.56 3ddu s LYS 621 N 3.06 0.40 0.13 2.72 2.20 -1.26 -5.03 119.74 121.96 3ddu s LYS 621 Ca 0.49 0.78 -0.35 0.00 -0.36 0.00 0.00 55.97 56.53 3ddu s LYS 621 Cb -0.19 -0.01 -0.15 0.00 -1.51 0.00 0.00 37.83 35.97 3ddu s LYS 621 CO 0.12 -0.15 1.45 1.28 -0.36 0.00 0.00 175.35 177.69 3ddu n LEU 622 N 4.17 2.43 -4.73 5.43 4.77 -1.26 -4.90 117.00 122.92 3ddu n LEU 622 Ca -0.23 1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 56.43 3ddu n LEU 622 Cb 0.55 -1.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 3ddu n LEU 622 CO 0.08 -0.65 1.02 -2.65 -1.33 0.00 0.00 177.39 173.87 3ddu n PRO 623 N 2.91 2.36 -0.18 3.23 -0.02 -1.26 -4.90 135.00 137.14 3ddu n PRO 623 Ca 0.17 0.83 -0.08 0.00 -2.02 0.00 0.00 63.50 62.40 3ddu n PRO 623 Cb 0.25 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.25 3ddu n PRO 623 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ddu h GLU 624 N 3.08 0.73 -6.66 -0.52 3.07 -1.90 -3.44 114.58 108.94 3ddu h GLU 624 Ca -0.48 -0.11 -0.52 0.00 -0.50 0.00 0.00 59.36 57.76 3ddu h GLU 624 Cb 1.26 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 29.05 3ddu h GLU 624 CO 0.66 0.60 0.52 0.00 -1.40 0.00 0.00 179.01 179.40 3ddu s ALA 625 N -5.71 3.40 0.52 3.43 0.00 -1.26 -4.93 121.76 117.21 3ddu s ALA 625 Ca -0.13 0.89 0.16 0.00 0.00 0.00 0.00 51.96 52.88 3ddu s ALA 625 Cb 0.12 -3.39 1.28 0.00 0.00 0.00 0.00 23.12 21.12 3ddu s ALA 625 CO 0.76 -0.30 2.15 -0.44 0.00 0.00 0.00 175.76 177.93 3ddu h ASP 626 N 5.23 0.00 -0.12 0.00 3.32 -2.03 -2.22 116.42 120.59 3ddu h ASP 626 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3ddu h ASP 626 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3ddu h ASP 626 CO 0.74 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.36 3ddu n ASP 627 N -4.51 1.14 -4.25 6.45 5.75 -1.26 -4.80 116.55 115.07 3ddu n ASP 627 Ca -0.03 -1.65 -0.33 0.00 -0.01 0.00 0.00 54.79 52.77 3ddu n ASP 627 Cb 0.10 -0.08 -0.16 0.00 -1.03 0.00 0.00 41.12 39.95 3ddu n ASP 627 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3ddu s ILE 628 N -1.84 2.41 0.46 2.12 1.01 -0.84 -5.12 121.20 119.39 3ddu s ILE 628 Ca 0.29 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3ddu s ILE 628 Cb 0.15 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3ddu s ILE 628 CO 0.23 0.54 0.02 0.00 0.00 0.00 0.00 174.94 175.73 3ddu s GLN 629 N 0.54 2.06 0.55 2.79 -2.07 -1.26 -4.61 119.66 117.66 3ddu s GLN 629 Ca -0.12 -2.25 -0.18 0.00 -1.82 0.00 0.00 55.36 50.99 3ddu s GLN 629 Cb -0.16 -1.46 -0.05 0.00 -1.09 0.00 0.00 33.01 30.24 3ddu s GLN 629 CO 0.04 -0.25 1.07 0.71 -1.32 0.00 0.00 175.29 175.54 3ddu s TYR 630 N -2.87 2.89 0.92 9.60 1.51 -1.26 -4.57 117.35 123.57 3ddu s TYR 630 Ca 0.19 1.54 -0.11 0.00 -1.01 0.00 0.00 57.07 57.69 3ddu s TYR 630 Cb 0.05 -3.10 0.15 0.00 -0.11 0.00 0.00 41.96 38.94 3ddu s TYR 630 CO 0.10 -1.17 1.10 -1.25 -1.11 0.00 0.00 175.55 173.22 3ddu s PRO 631 N -3.62 1.00 0.32 -1.71 0.04 -1.26 -4.66 135.00 125.11 3ddu s PRO 631 Ca 0.67 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 3ddu s PRO 631 Cb -0.18 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 3ddu s PRO 631 CO 0.29 -2.51 1.56 0.43 0.04 0.00 0.00 177.00 176.81 3ddu n SER 632 N -4.11 3.82 -4.01 6.66 7.64 -0.74 -4.82 113.62 118.06 3ddu n SER 632 Ca 0.08 1.17 -0.20 0.00 1.01 0.00 0.00 58.87 60.94 3ddu n SER 632 Cb 0.53 -1.60 -0.15 0.00 -1.01 0.00 0.00 64.21 61.98 3ddu n SER 632 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3ddu s MET 633 N -0.99 0.92 -0.11 1.43 -1.94 -0.06 -0.29 119.30 118.25 3ddu s MET 633 Ca 0.61 -0.32 -0.00 0.00 -1.71 0.00 0.00 55.69 54.27 3ddu s MET 633 Cb -0.49 -0.87 0.02 0.00 2.01 0.00 0.00 34.83 35.50 3ddu s MET 633 CO 0.53 0.14 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.42 3ddu s LEU 634 N 0.08 1.29 -0.17 -0.03 2.96 -0.11 -0.88 118.68 121.82 3ddu s LEU 634 Ca -0.01 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 3ddu s LEU 634 Cb -0.07 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.69 3ddu s LEU 634 CO 0.00 -0.10 0.11 -0.76 -1.32 0.00 0.00 176.35 174.29 3ddu s LEU 635 N 1.57 4.14 -0.15 -0.68 1.43 -0.14 -1.31 118.68 123.54 3ddu s LEU 635 Ca 0.03 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3ddu s LEU 635 Cb -0.13 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.05 3ddu s LEU 635 CO -0.07 0.24 -0.18 -0.76 0.23 0.00 0.00 176.35 175.80 3ddu s LEU 636 N 0.01 2.31 0.00 1.79 1.43 -0.51 -1.10 118.68 122.62 3ddu s LEU 636 Ca 0.09 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3ddu s LEU 636 Cb -0.12 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 3ddu s LEU 636 CO -0.00 0.08 0.14 1.07 0.23 0.00 0.00 176.35 177.86 3ddu n THR 637 N 4.10 0.00 -3.72 5.49 5.66 -0.62 0.04 114.28 125.24 3ddu n THR 637 Ca -0.19 -0.76 -0.12 0.00 -3.05 0.00 0.00 64.05 59.93 3ddu n THR 637 Cb 0.52 0.41 -0.07 0.00 -1.55 0.00 0.00 70.33 69.64 3ddu n THR 637 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ddu s ALA 638 N -2.26 -0.80 -0.90 1.79 0.00 -1.26 -1.27 121.76 117.07 3ddu s ALA 638 Ca 0.12 0.08 0.24 0.00 0.00 0.00 0.00 51.96 52.41 3ddu s ALA 638 Cb 0.00 0.37 0.97 0.00 0.00 0.00 0.00 23.12 24.46 3ddu s ALA 638 CO 0.09 -0.45 1.75 -0.40 0.00 0.00 0.00 175.76 176.75 3ddu n ASP 639 N 0.45 0.21 -0.81 0.00 5.75 -0.60 -2.07 116.55 119.48 3ddu n ASP 639 Ca -0.18 0.53 0.04 0.00 -0.01 0.00 0.00 54.79 55.17 3ddu n ASP 639 Cb 0.60 -0.58 0.21 0.00 -1.03 0.00 0.00 41.12 40.32 3ddu n ASP 639 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3ddu n HIS 640 N -1.71 0.73 -2.43 2.11 8.25 -0.29 -4.30 115.22 117.58 3ddu n HIS 640 Ca 0.05 -1.22 -0.38 0.00 -0.26 0.00 0.00 57.72 55.92 3ddu n HIS 640 Cb 0.30 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 3ddu n HIS 640 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ddu s ASP 641 N -2.45 6.20 0.00 0.41 -1.08 -0.88 -3.98 116.67 114.89 3ddu s ASP 641 Ca 0.41 -1.47 0.26 0.00 -0.52 0.00 0.00 52.55 51.23 3ddu s ASP 641 Cb 0.36 -2.57 0.97 0.00 -1.46 0.00 0.00 42.92 40.22 3ddu s ASP 641 CO 0.03 -1.79 1.69 -0.90 0.52 0.00 0.00 175.17 174.72 3ddu n ASP 642 N 10.13 1.50 -0.04 -0.34 5.75 -1.25 -3.27 116.55 129.03 3ddu n ASP 642 Ca 0.38 -1.56 -0.04 0.00 -0.01 0.00 0.00 54.79 53.57 3ddu n ASP 642 Cb 0.49 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 3ddu n ASP 642 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3ddu h ARG 643 N 2.21 -0.03 -4.47 0.11 9.65 -1.93 -3.41 114.38 116.51 3ddu h ARG 643 Ca 0.00 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 58.20 3ddu h ARG 643 Cb 0.47 0.01 -0.36 0.00 -1.39 0.00 0.00 29.97 28.70 3ddu h ARG 643 CO 0.00 0.19 -0.58 0.08 2.80 0.00 0.00 179.97 182.46 3ddu s VAL 644 N -1.82 3.06 0.29 0.20 1.01 -1.25 -4.62 120.40 117.27 3ddu s VAL 644 Ca -0.05 -2.19 -0.30 0.00 0.00 0.00 0.00 61.98 59.45 3ddu s VAL 644 Cb -0.01 -3.13 -0.12 0.00 0.00 0.00 0.00 36.38 33.12 3ddu s VAL 644 CO 0.16 -0.68 1.43 1.33 0.00 0.00 0.00 175.10 177.34 3ddu n VAL 645 N 4.44 1.35 0.28 2.92 0.24 -1.20 -4.80 118.33 121.57 3ddu n VAL 645 Ca -0.00 -0.34 0.15 0.00 -2.04 0.00 0.00 64.34 62.11 3ddu n VAL 645 Cb 0.41 -1.67 0.75 0.00 -1.47 0.00 0.00 33.84 31.86 3ddu n VAL 645 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3ddu h PRO 646 N 3.78 0.00 -1.02 7.34 0.13 -1.83 -2.33 132.00 138.07 3ddu h PRO 646 Ca -0.46 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 64.96 3ddu h PRO 646 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 3ddu h PRO 646 CO 0.72 0.00 0.72 1.37 -0.23 0.00 0.00 178.00 180.58 3ddu h LEU 647 N 0.00 0.07 -0.04 1.56 8.10 -1.88 -0.65 115.31 122.47 3ddu h LEU 647 Ca 0.00 0.01 0.03 0.00 0.11 0.00 0.00 57.88 58.03 3ddu h LEU 647 Cb 0.17 -0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.35 3ddu h LEU 647 CO 0.00 0.02 -0.18 0.45 -4.11 0.00 0.00 178.44 174.61 3ddu h HIS 648 N 0.06 -0.48 -0.27 0.17 3.86 -1.73 -0.53 115.15 116.23 3ddu h HIS 648 Ca 0.50 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.57 3ddu h HIS 648 Cb 1.87 0.22 -0.01 0.00 1.06 0.00 0.00 27.41 30.56 3ddu h HIS 648 CO -0.00 -0.26 -0.46 0.77 0.86 0.00 0.00 177.93 178.84 3ddu h SER 649 N -0.28 0.76 -0.02 2.45 0.02 -1.38 -2.43 113.55 112.67 3ddu h SER 649 Ca 0.07 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3ddu h SER 649 Cb 0.37 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3ddu h SER 649 CO -0.20 1.10 0.01 -0.07 -1.14 0.00 0.00 176.83 176.53 3ddu h LEU 650 N 0.56 0.02 -0.71 5.07 3.38 -0.98 -0.85 115.31 121.80 3ddu h LEU 650 Ca 0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3ddu h LEU 650 Cb 1.01 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3ddu h LEU 650 CO 0.10 0.02 0.13 0.11 0.09 0.00 0.00 178.44 178.88 3ddu h LYS 651 N 0.03 1.11 -0.33 1.13 1.57 -1.14 -2.16 116.57 116.78 3ddu h LYS 651 Ca 0.01 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 3ddu h LYS 651 Cb -0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3ddu h LYS 651 CO -0.00 1.01 0.08 0.35 -0.57 0.00 0.00 179.45 180.32 3ddu h PHE 652 N 1.05 0.56 -0.27 -1.35 3.57 -1.22 -2.20 116.94 117.08 3ddu h PHE 652 Ca 0.21 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 3ddu h PHE 652 Cb 0.42 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3ddu h PHE 652 CO 0.03 0.57 -0.34 0.97 -2.23 0.00 0.00 178.31 177.31 3ddu h ILE 653 N 0.38 1.29 -0.65 1.41 6.09 -1.08 -0.01 117.51 124.94 3ddu h ILE 653 Ca 0.11 -1.47 0.03 0.00 -1.37 0.00 0.00 64.86 62.16 3ddu h ILE 653 Cb 0.29 1.45 -0.04 0.00 0.47 0.00 0.00 36.82 38.99 3ddu h ILE 653 CO 0.00 0.47 0.40 0.00 -3.07 0.00 0.00 178.15 175.95 3ddu h ALA 654 N 1.13 0.85 -0.21 0.18 0.00 -1.27 -0.71 119.26 119.23 3ddu h ALA 654 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ddu h ALA 654 Cb 0.83 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3ddu h ALA 654 CO 0.07 0.15 -0.09 1.15 0.00 0.00 0.00 179.25 180.53 3ddu h THR 655 N 0.78 1.30 -0.28 0.00 2.02 -0.99 -1.93 112.91 113.82 3ddu h THR 655 Ca 0.26 -1.13 0.04 0.00 0.77 0.00 0.00 66.41 66.35 3ddu h THR 655 Cb 0.03 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 3ddu h THR 655 CO -0.11 0.34 0.03 -0.07 0.37 0.00 0.00 175.52 176.08 3ddu h LEU 656 N 0.14 -0.05 -0.94 2.58 3.38 -0.81 -0.49 115.31 119.12 3ddu h LEU 656 Ca 0.05 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 3ddu h LEU 656 Cb 0.57 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3ddu h LEU 656 CO 0.03 0.01 -0.17 1.56 0.09 0.00 0.00 178.44 179.96 3ddu h GLN 657 N 0.12 0.58 0.06 1.13 4.20 -1.06 -0.05 115.11 120.08 3ddu h GLN 657 Ca 0.13 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3ddu h GLN 657 Cb 0.15 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3ddu h GLN 657 CO -0.20 0.73 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.74 3ddu h TYR 658 N 0.52 -0.07 -0.06 2.96 3.20 -1.15 -2.35 116.97 120.02 3ddu h TYR 658 Ca 0.09 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 3ddu h TYR 658 Cb 0.59 0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.89 3ddu h TYR 658 CO 0.02 0.53 -0.36 0.82 -1.64 0.00 0.00 178.16 177.54 3ddu h ILE 659 N -0.86 1.43 0.00 1.81 1.08 -1.11 -3.32 117.51 116.54 3ddu h ILE 659 Ca -0.01 -1.78 -0.41 0.00 -0.39 0.00 0.00 64.86 62.27 3ddu h ILE 659 Cb 0.64 2.36 -0.07 0.00 -3.07 0.00 0.00 36.82 36.68 3ddu h ILE 659 CO 0.01 0.51 -2.49 0.52 -0.69 0.00 0.00 178.15 176.02 3ddu n VAL 660 N -4.39 1.51 0.11 1.67 0.31 -0.18 -4.44 118.33 112.91 3ddu n VAL 660 Ca -0.09 -0.52 0.06 0.00 -0.01 0.00 0.00 64.34 63.78 3ddu n VAL 660 Cb 0.53 -1.56 0.52 0.00 -0.91 0.00 0.00 33.84 32.42 3ddu n VAL 660 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3ddu h GLY 661 N 1.12 0.33 2.00 2.92 0.00 -0.65 -1.32 103.07 107.46 3ddu h GLY 661 Ca -0.61 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3ddu h GLY 661 CO -0.18 0.12 0.00 0.54 0.00 0.00 0.00 176.54 177.01 3ddu n ARG 662 N -4.50 0.22 -2.40 4.80 1.74 -0.94 -4.85 116.66 110.73 3ddu n ARG 662 Ca 0.00 0.32 -0.40 0.00 -0.77 0.00 0.00 57.85 57.00 3ddu n ARG 662 Cb 0.07 -1.83 -0.04 0.00 -1.02 0.00 0.00 32.46 29.65 3ddu n ARG 662 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ddu s SER 663 N -4.32 7.08 0.39 0.55 1.04 -0.50 -4.93 113.70 113.01 3ddu s SER 663 Ca 0.07 2.34 0.07 0.00 0.48 0.00 0.00 55.95 58.91 3ddu s SER 663 Cb 0.11 -2.63 0.80 0.00 0.10 0.00 0.00 66.02 64.40 3ddu s SER 663 CO 0.49 -0.28 2.00 0.08 0.98 0.00 0.00 173.24 176.51 3ddu h ARG 664 N 3.55 0.49 0.00 4.02 -0.00 -1.88 -2.14 114.38 118.42 3ddu h ARG 664 Ca -0.47 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 59.45 3ddu h ARG 664 Cb 1.22 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 3ddu h ARG 664 CO 0.66 0.40 0.00 0.36 -0.00 0.00 0.00 179.97 181.38 3ddu n LYS 665 N -4.41 0.17 -2.71 0.08 2.85 -1.26 -4.68 118.16 108.20 3ddu n LYS 665 Ca 0.02 0.23 -0.43 0.00 -1.05 0.00 0.00 58.31 57.08 3ddu n LYS 665 Cb 0.12 -1.73 -0.03 0.00 -0.65 0.00 0.00 35.03 32.74 3ddu n LYS 665 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 3ddu s GLN 666 N -3.12 3.62 -0.01 -1.58 2.00 -0.81 -4.81 119.66 114.95 3ddu s GLN 666 Ca 0.09 0.36 0.10 0.00 -2.00 0.00 0.00 55.36 53.91 3ddu s GLN 666 Cb 0.13 -3.92 -0.13 0.00 0.80 0.00 0.00 33.01 29.88 3ddu s GLN 666 CO 0.50 -1.31 0.28 0.09 -0.50 0.00 0.00 175.29 174.35 3ddu n ASN 667 N 7.53 1.94 -4.74 6.67 3.02 -1.26 -4.89 115.26 123.54 3ddu n ASN 667 Ca 0.09 -0.26 -0.41 0.00 -0.03 0.00 0.00 54.58 53.97 3ddu n ASN 667 Cb 0.49 1.28 -0.04 0.00 -0.61 0.00 0.00 39.78 40.90 3ddu n ASN 667 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ddu s ASN 668 N -2.67 7.33 0.54 6.41 0.01 -1.26 -4.86 114.94 120.44 3ddu s ASN 668 Ca -0.01 2.05 -0.19 0.00 -0.71 0.00 0.00 52.86 54.01 3ddu s ASN 668 Cb 0.07 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 39.06 3ddu s ASN 668 CO 0.40 -0.16 1.07 -2.16 -1.51 0.00 0.00 177.10 174.74 3ddu s PRO 669 N -0.50 3.50 -0.29 -0.60 0.04 -1.26 -4.79 135.00 131.10 3ddu s PRO 669 Ca 0.48 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.91 3ddu s PRO 669 Cb -0.28 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.30 3ddu s PRO 669 CO 0.34 -0.69 0.08 -0.51 0.04 0.00 0.00 177.00 176.26 3ddu s LEU 670 N -3.89 2.34 0.12 -3.56 1.43 -1.26 -0.88 118.68 112.97 3ddu s LEU 670 Ca 0.68 -1.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.29 3ddu s LEU 670 Cb -0.19 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 3ddu s LEU 670 CO 0.27 -0.39 -0.15 -0.76 0.23 0.00 0.00 176.35 175.55 3ddu s LEU 671 N 1.57 2.39 0.06 1.79 1.43 -0.05 -4.87 118.68 121.00 3ddu s LEU 671 Ca 0.08 -0.79 0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3ddu s LEU 671 Cb -0.17 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 3ddu s LEU 671 CO -0.21 -0.12 -0.17 -0.51 0.23 0.00 0.00 176.35 175.58 3ddu s ILE 672 N -1.98 1.35 -0.07 -0.59 2.07 -1.26 -0.96 121.20 119.76 3ddu s ILE 672 Ca 0.08 -1.21 0.03 0.00 -1.41 0.00 0.00 60.65 58.14 3ddu s ILE 672 Cb -0.06 -1.22 0.01 0.00 0.13 0.00 0.00 42.46 41.31 3ddu s ILE 672 CO 0.03 -0.01 -0.17 -2.28 -1.91 0.00 0.00 174.94 170.60 3ddu s HIS 673 N -0.99 1.83 -0.32 3.50 5.65 -0.26 -4.40 115.29 120.30 3ddu s HIS 673 Ca 0.03 -0.66 -0.03 0.00 0.25 0.00 0.00 55.06 54.65 3ddu s HIS 673 Cb -0.09 -1.27 0.06 0.00 -1.18 0.00 0.00 32.58 30.10 3ddu s HIS 673 CO 0.02 -0.29 0.05 0.08 -0.65 0.00 0.00 174.74 173.95 3ddu s VAL 674 N 0.41 3.16 0.67 0.89 1.01 -1.26 -1.58 120.40 123.70 3ddu s VAL 674 Ca -0.13 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.30 3ddu s VAL 674 Cb -0.15 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3ddu s VAL 674 CO 0.05 -0.20 1.06 -0.62 0.00 0.00 0.00 175.10 175.38 3ddu s ASP 675 N 1.36 5.71 0.22 3.32 2.15 -0.39 -4.86 116.67 124.18 3ddu s ASP 675 Ca -0.03 1.39 0.06 0.00 0.43 0.00 0.00 52.55 54.41 3ddu s ASP 675 Cb -0.20 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 3ddu s ASP 675 CO -0.01 -1.20 0.17 0.42 -0.17 0.00 0.00 175.17 174.38 3ddu s THR 676 N -3.18 4.43 -1.42 1.71 -4.23 -1.26 -1.56 115.64 110.13 3ddu s THR 676 Ca 0.57 -1.31 -0.09 0.00 -1.18 0.00 0.00 61.69 59.68 3ddu s THR 676 Cb -0.12 -3.35 0.06 0.00 1.34 0.00 0.00 72.50 70.42 3ddu s THR 676 CO 0.54 -0.27 0.64 0.29 -0.54 0.00 0.00 174.62 175.27 3ddu n LYS 677 N -0.90 -4.33 -3.87 3.99 5.02 -1.26 -4.93 118.16 111.88 3ddu n LYS 677 Ca -0.08 0.63 -0.09 0.00 -2.02 0.00 0.00 58.31 56.75 3ddu n LYS 677 Cb 0.57 -5.42 -0.07 0.00 -0.02 0.00 0.00 35.03 30.09 3ddu n LYS 677 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ddu s ALA 678 N -3.08 -0.21 0.00 7.82 0.00 -1.07 -4.47 121.76 120.75 3ddu s ALA 678 Ca 0.43 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3ddu s ALA 678 Cb -0.22 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3ddu s ALA 678 CO 0.53 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.16 3ddu n GLY 679 N -0.10 5.50 0.23 0.00 0.00 -1.11 -1.14 105.19 108.58 3ddu n GLY 679 Ca -0.14 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.77 3ddu n GLY 679 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ddu h HIS 680 N 0.00 0.03 0.00 1.61 2.76 -1.76 -3.42 115.15 114.36 3ddu h HIS 680 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3ddu h HIS 680 Cb 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.95 3ddu h HIS 680 CO 0.00 0.19 0.00 0.41 -1.30 0.00 0.00 177.93 177.23 3ddu n GLY 681 N -1.04 2.37 3.71 5.26 0.00 -1.26 -4.95 105.19 109.28 3ddu n GLY 681 Ca -0.02 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3ddu n GLY 681 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddu n ALA 682 N 0.00 2.24 -0.99 4.61 0.00 -1.26 -1.83 120.51 123.29 3ddu n ALA 682 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3ddu n ALA 682 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.01 3ddu n ALA 682 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddu n GLY 683 N 3.13 0.60 3.73 0.00 0.00 -1.26 -4.74 105.19 106.65 3ddu n GLY 683 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3ddu n GLY 683 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ddu s LYS 684 N -0.14 4.16 0.55 1.61 2.20 -0.76 -4.76 119.74 122.61 3ddu s LYS 684 Ca 0.00 2.50 -0.20 0.00 -0.36 0.00 0.00 55.97 57.91 3ddu s LYS 684 Cb 0.00 -3.09 -0.05 0.00 -1.51 0.00 0.00 37.83 33.18 3ddu s LYS 684 CO 0.00 -0.65 1.21 -1.25 -0.36 0.00 0.00 175.35 174.29 3ddu s PRO 685 N 0.66 3.20 0.27 4.03 0.04 -1.26 -4.80 135.00 137.15 3ddu s PRO 685 Ca 0.69 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 63.54 3ddu s PRO 685 Cb -0.47 -2.08 0.57 0.00 0.04 0.00 0.00 34.50 32.56 3ddu s PRO 685 CO 0.36 -1.02 1.61 1.15 0.04 0.00 0.00 177.00 179.13 3ddu h THR 686 N 1.20 0.20 -0.87 1.26 2.02 -1.62 -0.45 112.91 114.64 3ddu h THR 686 Ca -0.50 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 66.70 3ddu h THR 686 Cb 1.28 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 3ddu h THR 686 CO 0.57 0.01 0.55 0.00 0.37 0.00 0.00 175.52 177.02 3ddu h ALA 687 N 1.84 1.18 -0.18 6.16 0.00 -1.87 -0.71 119.26 125.67 3ddu h ALA 687 Ca 0.49 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.22 3ddu h ALA 687 Cb 0.93 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3ddu h ALA 687 CO -0.79 0.33 -0.57 0.87 0.00 0.00 0.00 179.25 179.10 3ddu h LYS 688 N 1.03 0.57 -0.62 0.00 1.57 -1.48 -2.24 116.57 115.40 3ddu h LYS 688 Ca 0.37 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ddu h LYS 688 Cb 0.11 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3ddu h LYS 688 CO -0.15 0.98 0.40 0.28 -0.57 0.00 0.00 179.45 180.39 3ddu h VAL 689 N 0.43 1.17 -0.56 0.50 2.07 -0.59 -0.39 116.25 118.88 3ddu h VAL 689 Ca 0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3ddu h VAL 689 Cb 1.12 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3ddu h VAL 689 CO 0.11 0.17 0.23 0.40 0.02 0.00 0.00 177.57 178.50 3ddu h ILE 690 N 0.84 1.22 -0.76 4.57 2.04 -1.00 -1.57 117.51 122.85 3ddu h ILE 690 Ca 0.22 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3ddu h ILE 690 Cb -0.07 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3ddu h ILE 690 CO -0.05 0.26 0.36 -0.33 0.00 0.00 0.00 178.15 178.39 3ddu h GLU 691 N 0.77 1.09 -0.16 2.37 4.39 -1.18 -1.96 114.58 119.89 3ddu h GLU 691 Ca 0.19 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3ddu h GLU 691 Cb 0.18 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3ddu h GLU 691 CO -0.02 0.86 0.05 1.49 -1.16 0.00 0.00 179.01 180.23 3ddu h GLU 692 N 1.07 0.24 -0.21 2.33 4.81 -0.70 -0.62 114.58 121.50 3ddu h GLU 692 Ca 0.26 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3ddu h GLU 692 Cb 0.13 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3ddu h GLU 692 CO -0.03 0.35 -0.29 -0.39 -0.73 0.00 0.00 179.01 177.92 3ddu h VAL 693 N 0.08 1.27 -0.63 0.32 -1.51 -1.27 -0.90 116.25 113.61 3ddu h VAL 693 Ca 0.05 -1.31 -0.05 0.00 -1.23 0.00 0.00 66.70 64.17 3ddu h VAL 693 Cb 0.21 1.43 -0.03 0.00 -2.13 0.00 0.00 31.29 30.77 3ddu h VAL 693 CO -0.00 0.41 0.21 0.28 -1.23 0.00 0.00 177.57 177.23 3ddu h SER 694 N 0.35 0.90 -0.32 4.19 0.02 -1.16 -0.85 113.55 116.68 3ddu h SER 694 Ca 0.05 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3ddu h SER 694 Cb 0.69 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3ddu h SER 694 CO 0.05 0.86 0.21 0.44 -1.14 0.00 0.00 176.83 177.25 3ddu h ASP 695 N 0.90 0.35 0.25 3.07 3.32 -0.69 -0.04 116.42 123.57 3ddu h ASP 695 Ca 0.20 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3ddu h ASP 695 Cb 0.27 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3ddu h ASP 695 CO -0.01 0.25 -0.12 0.24 -1.72 0.00 0.00 179.24 177.88 3ddu h MET 696 N 0.42 -0.32 0.00 3.56 2.86 -0.81 -0.70 114.93 119.94 3ddu h MET 696 Ca 0.12 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3ddu h MET 696 Cb -0.03 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3ddu h MET 696 CO -0.04 -0.22 -0.28 0.74 1.06 0.00 0.00 176.91 178.18 3ddu h PHE 697 N -0.34 0.00 -0.54 -0.22 0.04 -1.15 -2.12 116.94 112.62 3ddu h PHE 697 Ca -0.03 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.63 3ddu h PHE 697 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3ddu h PHE 697 CO -0.06 0.28 -0.08 0.00 -0.60 0.00 0.00 178.31 177.84 3ddu h ALA 698 N 1.72 0.83 -0.09 2.45 0.00 -0.87 -0.36 119.26 122.95 3ddu h ALA 698 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ddu h ALA 698 Cb 1.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ddu h ALA 698 CO 0.04 0.66 0.05 0.35 0.00 0.00 0.00 179.25 180.35 3ddu h PHE 699 N 0.90 0.11 -0.17 0.00 3.57 -0.70 0.09 116.94 120.74 3ddu h PHE 699 Ca 0.15 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3ddu h PHE 699 Cb 0.63 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3ddu h PHE 699 CO 0.04 0.12 0.07 0.82 -2.23 0.00 0.00 178.31 177.13 3ddu h ILE 700 N 0.07 0.98 -0.31 1.41 2.04 -1.34 -0.47 117.51 119.90 3ddu h ILE 700 Ca 0.03 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3ddu h ILE 700 Cb 0.04 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3ddu h ILE 700 CO -0.01 0.03 0.09 0.00 0.00 0.00 0.00 178.15 178.27 3ddu h ALA 701 N 1.09 0.34 -0.16 1.87 0.00 -0.84 -0.40 119.26 121.17 3ddu h ALA 701 Ca 0.07 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3ddu h ALA 701 Cb 0.03 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ddu h ALA 701 CO -0.06 -0.31 -0.17 -0.09 0.00 0.00 0.00 179.25 178.61 3ddu h ARG 702 N 0.22 0.40 -0.16 0.00 2.43 -0.86 0.89 114.38 117.30 3ddu h ARG 702 Ca 0.14 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 3ddu h ARG 702 Cb 0.12 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3ddu h ARG 702 CO -0.15 0.78 -0.40 0.00 -1.51 0.00 0.00 179.97 178.69 3ddu n LEU 704 N -4.03 2.94 -3.78 0.00 4.77 -0.18 -4.98 117.00 111.74 3ddu n LEU 704 Ca -0.01 -1.12 -0.25 0.00 -0.03 0.00 0.00 56.01 54.60 3ddu n LEU 704 Cb 0.49 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3ddu n LEU 704 CO 0.43 0.53 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.69 3ddu n ASN 705 N 1.26 -1.95 -4.72 -1.43 2.85 0.17 -4.96 115.26 106.48 3ddu n ASN 705 Ca 0.14 -0.94 -0.39 0.00 -0.11 0.00 0.00 54.58 53.28 3ddu n ASN 705 Cb 0.55 -3.54 -0.05 0.00 1.24 0.00 0.00 39.78 37.98 3ddu n ASN 705 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3ddu s VAL 706 N -3.73 5.07 0.40 3.44 1.01 -0.36 -5.03 120.40 121.20 3ddu s VAL 706 Ca 0.13 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.23 3ddu s VAL 706 Cb -0.04 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 3ddu s VAL 706 CO 0.85 0.26 1.01 -1.81 0.00 0.00 0.00 175.10 175.41 3ddu s ASP 707 N 0.77 6.88 0.17 3.32 1.01 -1.26 -4.83 116.67 122.73 3ddu s ASP 707 Ca 0.36 1.92 -0.30 0.00 0.71 0.00 0.00 52.55 55.24 3ddu s ASP 707 Cb -0.17 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.11 3ddu s ASP 707 CO 0.17 -0.40 1.08 0.86 0.21 0.00 0.00 175.17 177.08 3ddu s TRP 708 N -1.77 3.64 -0.39 4.23 -0.11 -1.26 -4.60 118.94 118.68 3ddu s TRP 708 Ca 0.58 1.64 -0.10 0.00 1.22 0.00 0.00 56.10 59.44 3ddu s TRP 708 Cb -0.18 -3.23 0.05 0.00 -1.50 0.00 0.00 33.47 28.60 3ddu s TRP 708 CO 0.23 -0.46 0.21 0.42 -4.62 0.00 0.00 176.95 172.74 3ddu s ILE 709 N -0.21 4.34 -1.78 5.86 1.01 0.99 -5.02 121.20 126.40 3ddu s ILE 709 Ca 0.49 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3ddu s ILE 709 Cb -0.28 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3ddu s ILE 709 CO 0.34 -0.33 0.44 -2.65 0.00 0.00 0.00 174.94 172.75