#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdd s PHE 13 N 0.00 3.43 -0.29 1.61 5.36 -1.26 -5.01 117.98 121.82 1wdd s PHE 13 Ca 0.00 1.48 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 1wdd s PHE 13 Cb 0.00 -3.26 0.08 0.00 -0.34 0.00 0.00 43.02 39.50 1wdd s PHE 13 CO 0.00 -0.57 -0.03 0.21 -1.46 0.00 0.00 175.22 173.37 1wdd s LYS 14 N 1.92 1.79 0.64 10.12 2.47 -1.26 -5.11 119.74 130.32 1wdd s LYS 14 Ca 0.51 -1.54 -0.16 0.00 -1.56 0.00 0.00 55.97 53.23 1wdd s LYS 14 Cb -0.21 -2.96 -0.01 0.00 -1.46 0.00 0.00 37.83 33.19 1wdd s LYS 14 CO 0.21 -0.75 1.14 0.00 0.16 0.00 0.00 175.35 176.10 1wdd s ALA 15 N 1.06 2.46 0.00 3.13 0.00 -1.26 -4.79 121.76 122.36 1wdd s ALA 15 Ca 0.01 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1wdd s ALA 15 Cb -0.19 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1wdd s ALA 15 CO -0.07 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.83 1wdd n GLY 16 N -0.17 2.15 3.75 0.00 0.00 -1.26 -4.97 105.19 104.69 1wdd n GLY 16 Ca 0.11 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 1wdd n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wdd s VAL 17 N -1.70 5.06 0.10 1.61 1.01 -1.26 -1.21 120.40 124.01 1wdd s VAL 17 Ca 0.00 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1wdd s VAL 17 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1wdd s VAL 17 CO 0.00 0.40 -0.06 -1.59 0.00 0.00 0.00 175.10 173.85 1wdd s LYS 18 N 0.07 0.85 0.49 2.72 -2.85 -1.26 -5.00 119.74 114.76 1wdd s LYS 18 Ca 0.28 -1.35 -0.24 0.00 -1.00 0.00 0.00 55.97 53.66 1wdd s LYS 18 Cb -0.16 -0.19 -0.07 0.00 -2.06 0.00 0.00 37.83 35.35 1wdd s LYS 18 CO 0.13 -0.04 1.37 -0.51 0.10 0.00 0.00 175.35 176.41 1wdd s ASP 19 N -3.05 5.64 0.37 0.03 1.01 -1.26 -4.89 116.67 114.52 1wdd s ASP 19 Ca 0.13 2.80 0.06 0.00 0.71 0.00 0.00 52.55 56.25 1wdd s ASP 19 Cb 0.05 -2.64 0.71 0.00 1.01 0.00 0.00 42.92 42.05 1wdd s ASP 19 CO -0.04 -1.32 1.94 1.88 0.21 0.00 0.00 175.17 177.84 1wdd h TYR 20 N 1.94 0.50 0.00 4.23 0.05 -1.92 -2.71 116.97 119.06 1wdd h TYR 20 Ca -0.51 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.24 1wdd h TYR 20 Cb 1.28 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 1wdd h TYR 20 CO 0.49 0.44 -0.00 1.57 -1.05 0.00 0.00 178.16 179.61 1wdd h LYS 21 N 0.50 0.00 0.00 4.88 2.10 -1.84 0.18 116.57 122.39 1wdd h LYS 21 Ca 0.12 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.74 1wdd h LYS 21 Cb 0.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1wdd h LYS 21 CO -0.00 0.00 -0.12 -0.07 -2.00 0.00 0.00 179.45 177.25 1wdd h LEU 22 N 0.00 0.00 0.00 7.07 3.38 -1.81 -2.93 115.31 121.01 1wdd h LEU 22 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1wdd h LEU 22 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1wdd h LEU 22 CO 0.00 0.12 -1.16 0.41 0.09 0.00 0.00 178.44 177.90 1wdd n THR 23 N -3.50 0.16 0.39 0.22 -1.04 -0.70 -4.83 114.28 104.98 1wdd n THR 23 Ca -0.01 -0.10 0.06 0.00 -2.04 0.00 0.00 64.05 61.96 1wdd n THR 23 Cb 0.28 -0.93 0.07 0.00 -1.82 0.00 0.00 70.33 67.92 1wdd n THR 23 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1wdd n TYR 24 N -2.09 0.09 -3.71 -1.42 4.01 -0.03 -4.81 117.16 109.19 1wdd n TYR 24 Ca -0.04 -0.09 -0.38 0.00 -0.16 0.00 0.00 57.90 57.23 1wdd n TYR 24 Cb 0.58 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.48 1wdd n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1wdd s TYR 25 N -1.02 3.21 -0.50 -0.72 5.04 -1.11 -1.06 117.35 121.19 1wdd s TYR 25 Ca 0.16 -1.10 0.06 0.00 -2.44 0.00 0.00 57.07 53.75 1wdd s TYR 25 Cb 0.11 -2.31 0.22 0.00 0.35 0.00 0.00 41.96 40.33 1wdd s TYR 25 CO 0.16 -0.64 0.53 0.25 -1.34 0.00 0.00 175.55 174.51 1wdd n THR 26 N 4.89 0.22 0.24 4.34 -2.24 0.25 -4.87 114.28 117.10 1wdd n THR 26 Ca -0.13 -4.28 0.13 0.00 -2.27 0.00 0.00 64.05 57.50 1wdd n THR 26 Cb 0.46 -1.95 0.67 0.00 -2.10 0.00 0.00 70.33 67.41 1wdd n THR 26 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1wdd h PRO 27 N 4.60 0.00 -0.01 -0.78 0.13 -1.74 -1.30 132.00 132.89 1wdd h PRO 27 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1wdd h PRO 27 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1wdd h PRO 27 CO 0.56 0.00 -0.14 -0.85 -0.23 0.00 0.00 178.00 177.35 1wdd n GLU 28 N -2.42 1.41 -2.17 0.86 0.00 -1.26 -4.85 120.64 112.21 1wdd n GLU 28 Ca -0.01 -0.92 -0.41 0.00 0.00 0.00 0.00 57.16 55.81 1wdd n GLU 28 Cb 0.09 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.02 1wdd n GLU 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1wdd s TYR 29 N -2.22 3.20 -0.25 -1.84 5.04 -0.49 -4.99 117.35 115.79 1wdd s TYR 29 Ca 0.30 1.21 -0.09 0.00 -2.44 0.00 0.00 57.07 56.05 1wdd s TYR 29 Cb 0.20 -3.65 -0.04 0.00 0.35 0.00 0.00 41.96 38.82 1wdd s TYR 29 CO 0.42 -2.01 0.11 -1.21 -1.34 0.00 0.00 175.55 171.52 1wdd s GLU 30 N -0.35 3.83 0.59 4.97 2.02 -1.26 -4.98 118.70 123.51 1wdd s GLU 30 Ca 0.56 -0.39 -0.19 0.00 0.02 0.00 0.00 54.97 54.97 1wdd s GLU 30 Cb -0.38 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 1wdd s GLU 30 CO 0.41 -0.09 1.21 0.95 0.02 0.00 0.00 175.26 177.76 1wdd s THR 31 N 1.40 2.62 0.07 3.63 -4.23 -1.26 -5.02 115.64 112.84 1wdd s THR 31 Ca 0.06 0.39 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 1wdd s THR 31 Cb -0.15 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1wdd s THR 31 CO 0.05 -0.08 0.25 -0.54 -0.54 0.00 0.00 174.62 173.76 1wdd s LYS 32 N -3.30 3.48 0.18 3.99 1.02 -1.26 -4.99 119.74 118.86 1wdd s LYS 32 Ca 0.77 -0.34 0.15 0.00 0.02 0.00 0.00 55.97 56.57 1wdd s LYS 32 Cb -0.31 -3.00 0.74 0.00 -0.52 0.00 0.00 37.83 34.74 1wdd s LYS 32 CO 0.33 0.58 1.46 -0.25 -0.92 0.00 0.00 175.35 176.56 1wdd n ASP 33 N 0.32 0.35 -0.21 2.83 8.00 -1.26 -1.42 116.55 125.17 1wdd n ASP 33 Ca -0.05 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.20 1wdd n ASP 33 Cb 0.51 -0.69 0.08 0.00 -0.02 0.00 0.00 41.12 41.00 1wdd n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wdd n THR 34 N -1.94 0.00 -2.51 -3.53 -2.24 -1.26 -4.68 114.28 98.11 1wdd n THR 34 Ca 0.00 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.32 1wdd n THR 34 Cb 0.08 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 1wdd n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wdd s ASP 35 N -2.73 6.54 -0.09 3.42 1.01 -0.51 -3.68 116.67 120.63 1wdd s ASP 35 Ca 0.15 2.04 -0.20 0.00 0.71 0.00 0.00 52.55 55.24 1wdd s ASP 35 Cb 0.18 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1wdd s ASP 35 CO 0.68 -0.64 0.58 -0.63 0.21 0.00 0.00 175.17 175.36 1wdd s ILE 36 N -1.75 5.11 -0.02 0.77 1.01 -0.18 -4.34 121.20 121.80 1wdd s ILE 36 Ca 0.62 1.18 0.02 0.00 0.00 0.00 0.00 60.65 62.47 1wdd s ILE 36 Cb -0.21 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1wdd s ILE 36 CO 0.26 0.30 -0.06 -0.76 0.00 0.00 0.00 174.94 174.68 1wdd s LEU 37 N 0.63 3.19 0.03 2.97 1.43 -1.03 -0.20 118.68 125.69 1wdd s LEU 37 Ca 0.31 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1wdd s LEU 37 Cb -0.16 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1wdd s LEU 37 CO 0.14 0.31 -0.19 0.00 0.23 0.00 0.00 176.35 176.84 1wdd s ALA 38 N -0.94 1.58 -0.29 4.21 0.00 0.48 -0.10 121.76 126.70 1wdd s ALA 38 Ca 0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1wdd s ALA 38 Cb -0.11 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.74 1wdd s ALA 38 CO 0.06 0.35 -0.02 0.00 0.00 0.00 0.00 175.76 176.16 1wdd s ALA 39 N -0.73 2.78 -0.15 0.00 0.00 -0.52 -1.17 121.76 121.97 1wdd s ALA 39 Ca 0.06 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.25 1wdd s ALA 39 Cb -0.08 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1wdd s ALA 39 CO 0.01 -1.20 0.04 -0.06 0.00 0.00 0.00 175.76 174.55 1wdd s PHE 40 N 1.25 3.23 -0.45 0.00 0.08 0.07 -0.59 117.98 121.58 1wdd s PHE 40 Ca -0.05 0.09 -0.20 0.00 0.12 0.00 0.00 56.93 56.89 1wdd s PHE 40 Cb -0.19 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1wdd s PHE 40 CO -0.02 0.26 0.62 0.50 -0.10 0.00 0.00 175.22 176.49 1wdd s ARG 41 N -0.08 3.24 -0.10 0.44 3.52 0.10 -0.06 118.95 126.02 1wdd s ARG 41 Ca 0.06 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 1wdd s ARG 41 Cb -0.12 -3.97 -0.02 0.00 -1.56 0.00 0.00 34.95 29.28 1wdd s ARG 41 CO 0.01 -1.03 -0.12 0.54 -0.81 0.00 0.00 175.30 173.90 1wdd s VAL 42 N 2.75 3.18 -0.35 7.11 0.11 0.58 -0.76 120.40 133.01 1wdd s VAL 42 Ca 0.21 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.63 1wdd s VAL 42 Cb -0.15 -2.31 0.09 0.00 -1.53 0.00 0.00 36.38 32.49 1wdd s VAL 42 CO 0.18 0.55 0.07 -0.89 -3.33 0.00 0.00 175.10 171.68 1wdd s THR 43 N -0.10 2.60 0.71 5.04 2.01 -0.30 -1.21 115.64 124.39 1wdd s THR 43 Ca -0.01 -2.10 -0.11 0.00 0.31 0.00 0.00 61.69 59.78 1wdd s THR 43 Cb -0.14 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1wdd s THR 43 CO 0.03 -0.52 1.07 -2.84 -0.69 0.00 0.00 174.62 171.67 1wdd s PRO 44 N 1.02 2.81 0.75 4.92 0.02 -1.25 -0.07 135.00 143.20 1wdd s PRO 44 Ca 0.07 0.94 -0.11 0.00 0.02 0.00 0.00 61.00 61.92 1wdd s PRO 44 Cb -0.20 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.39 1wdd s PRO 44 CO -0.06 -1.19 1.09 -0.65 -0.33 0.00 0.00 177.00 175.86 1wdd s GLN 45 N -5.05 2.38 0.33 5.54 -1.52 -0.28 -4.36 119.66 116.71 1wdd s GLN 45 Ca 0.58 1.16 -0.29 0.00 -1.95 0.00 0.00 55.36 54.86 1wdd s GLN 45 Cb -0.14 -1.91 -0.11 0.00 -0.22 0.00 0.00 33.01 30.62 1wdd s GLN 45 CO 0.55 -1.55 1.56 -2.30 -0.25 0.00 0.00 175.29 173.31 1wdd n PRO 46 N -3.39 2.72 0.00 2.91 -0.02 -1.26 -1.83 135.00 134.13 1wdd n PRO 46 Ca 0.09 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1wdd n PRO 46 Cb 0.53 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1wdd n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wdd n GLY 47 N 1.49 1.26 3.58 -1.23 0.00 -1.26 -5.02 105.19 104.01 1wdd n GLY 47 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1wdd n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wdd s VAL 48 N -2.37 5.23 0.44 1.61 1.01 -0.76 -5.05 120.40 120.52 1wdd s VAL 48 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 1wdd s VAL 48 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 1wdd s VAL 48 CO 0.00 0.25 1.34 -2.84 0.00 0.00 0.00 175.10 173.84 1wdd s PRO 49 N 1.75 3.75 0.43 2.72 0.02 -1.26 -4.74 135.00 137.66 1wdd s PRO 49 Ca 0.07 2.22 0.13 0.00 0.02 0.00 0.00 61.00 63.43 1wdd s PRO 49 Cb -0.16 -2.63 1.01 0.00 0.02 0.00 0.00 34.50 32.74 1wdd s PRO 49 CO 0.10 -0.69 1.99 -1.00 -0.33 0.00 0.00 177.00 177.07 1wdd h PRO 50 N 2.35 0.41 -0.50 5.54 0.13 -1.96 -0.74 132.00 137.23 1wdd h PRO 50 Ca -0.50 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 1wdd h PRO 50 Cb 1.26 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1wdd h PRO 50 CO 0.61 0.27 0.09 0.93 -0.23 0.00 0.00 178.00 179.68 1wdd h GLU 51 N 0.42 0.77 -0.07 0.86 3.07 -1.99 -0.06 114.58 117.58 1wdd h GLU 51 Ca 0.25 -0.16 -0.21 0.00 -0.50 0.00 0.00 59.36 58.74 1wdd h GLU 51 Cb 0.45 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1wdd h GLU 51 CO -0.07 0.72 -0.78 1.49 -1.40 0.00 0.00 179.01 178.97 1wdd h GLU 52 N 0.74 0.65 -0.44 2.33 4.57 -1.55 -1.50 114.58 119.37 1wdd h GLU 52 Ca 0.16 -0.61 0.02 0.00 -1.18 0.00 0.00 59.36 57.75 1wdd h GLU 52 Cb 0.32 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1wdd h GLU 52 CO 0.00 1.22 0.26 0.00 -1.18 0.00 0.00 179.01 179.31 1wdd h ALA 53 N 0.45 0.56 -0.57 2.92 0.00 -0.94 0.90 119.26 122.59 1wdd h ALA 53 Ca -0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1wdd h ALA 53 Cb 1.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1wdd h ALA 53 CO 0.16 -0.06 -0.02 0.78 0.00 0.00 0.00 179.25 180.10 1wdd h GLY 54 N 0.52 1.09 1.18 0.00 0.00 -1.01 -1.86 103.07 102.98 1wdd h GLY 54 Ca 0.18 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 1wdd h GLY 54 CO -0.09 0.73 0.10 0.00 0.00 0.00 0.00 176.54 177.29 1wdd h ALA 55 N 1.05 1.00 -0.57 3.60 0.00 -1.03 -0.59 119.26 122.72 1wdd h ALA 55 Ca 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1wdd h ALA 55 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1wdd h ALA 55 CO 0.03 0.63 0.15 0.00 0.00 0.00 0.00 179.25 180.07 1wdd h ALA 56 N 1.15 0.74 -0.27 0.00 0.00 -0.51 0.16 119.26 120.53 1wdd h ALA 56 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wdd h ALA 56 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1wdd h ALA 56 CO 0.01 0.43 0.13 0.28 0.00 0.00 0.00 179.25 180.10 1wdd h VAL 57 N 0.80 1.15 -0.61 0.00 2.07 -1.11 -0.80 116.25 117.76 1wdd h VAL 57 Ca 0.18 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1wdd h VAL 57 Cb 0.32 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1wdd h VAL 57 CO -0.00 0.15 0.27 0.00 0.02 0.00 0.00 177.57 178.01 1wdd h ALA 58 N 0.99 0.78 0.06 1.67 0.00 -0.86 -2.76 119.26 119.14 1wdd h ALA 58 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wdd h ALA 58 Cb 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wdd h ALA 58 CO -0.01 0.37 -0.03 0.00 0.00 0.00 0.00 179.25 179.58 1wdd h ALA 59 N 1.11 -0.08 -0.00 0.00 0.00 -0.43 -3.13 119.26 116.72 1wdd h ALA 59 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wdd h ALA 59 Cb 0.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wdd h ALA 59 CO -0.02 -0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.18 1wdd n GLU 60 N -5.02 1.03 -0.17 0.00 -0.58 -0.33 -0.49 120.64 115.07 1wdd n GLU 60 Ca -0.08 -0.04 0.05 0.00 -0.42 0.00 0.00 57.16 56.67 1wdd n GLU 60 Cb 0.15 -1.37 0.13 0.00 -0.57 0.00 0.00 31.44 29.78 1wdd n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wdd n SER 61 N -0.82 2.82 0.00 1.62 3.41 -1.05 -4.65 113.62 114.95 1wdd n SER 61 Ca 0.18 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1wdd n SER 61 Cb 0.09 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1wdd n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wdd n SER 62 N -0.16 0.00 0.00 4.04 3.41 -0.79 -4.44 113.62 115.68 1wdd n SER 62 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1wdd n SER 62 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1wdd n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wdd n THR 63 N -1.24 0.00 -3.56 6.66 -2.24 -0.93 -4.93 114.28 108.04 1wdd n THR 63 Ca 0.00 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 1wdd n THR 63 Cb 0.00 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 1wdd n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wdd s GLY 64 N -0.84 1.40 0.00 3.38 0.00 0.35 -5.03 107.32 106.58 1wdd s GLY 64 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1wdd s GLY 64 CO 0.00 -1.16 0.00 -0.37 0.00 0.00 0.00 173.10 171.57 1wdd n THR 65 N -1.65 0.00 0.71 0.90 5.66 -1.26 -4.30 114.28 114.34 1wdd n THR 65 Ca -0.04 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.09 1wdd n THR 65 Cb 0.57 0.00 0.43 0.00 -1.55 0.00 0.00 70.33 69.79 1wdd n THR 65 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 1wdd n TRP 66 N 0.00 0.71 -4.10 1.09 4.27 -1.26 -4.82 117.44 113.34 1wdd n TRP 66 Ca 0.00 0.21 -0.07 0.00 -3.89 0.00 0.00 57.50 53.74 1wdd n TRP 66 Cb 0.00 -0.83 -0.10 0.00 -1.36 0.00 0.00 31.31 29.02 1wdd n TRP 66 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1wdd s THR 67 N -3.08 0.26 0.15 -1.67 -1.32 -1.26 -4.64 115.64 104.08 1wdd s THR 67 Ca 0.11 -1.81 -0.30 0.00 -1.21 0.00 0.00 61.69 58.48 1wdd s THR 67 Cb 0.14 -1.52 -0.08 0.00 -1.51 0.00 0.00 72.50 69.53 1wdd s THR 67 CO 0.59 -0.98 1.30 -0.89 -2.21 0.00 0.00 174.62 172.43 1wdd s THR 68 N -3.85 3.43 -0.06 5.08 2.01 -0.35 -4.99 115.64 116.91 1wdd s THR 68 Ca 0.07 1.11 0.04 0.00 0.31 0.00 0.00 61.69 63.22 1wdd s THR 68 Cb 0.07 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1wdd s THR 68 CO -0.09 0.13 -0.17 0.68 -0.69 0.00 0.00 174.62 174.48 1wdd s VAL 69 N 0.52 2.80 0.35 3.82 -7.23 -1.26 -4.48 120.40 114.91 1wdd s VAL 69 Ca 0.59 -0.81 0.29 0.00 -1.81 0.00 0.00 61.98 60.24 1wdd s VAL 69 Cb -0.35 -2.09 0.31 0.00 0.56 0.00 0.00 36.38 34.82 1wdd s VAL 69 CO 0.34 0.58 2.05 4.11 -0.31 0.00 0.00 175.10 181.86 1wdd h TRP 70 N 5.71 0.00 0.00 2.82 5.08 -1.97 -2.71 115.95 124.88 1wdd h TRP 70 Ca -0.40 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.57 1wdd h TRP 70 Cb 1.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1wdd h TRP 70 CO 0.48 0.11 0.00 0.25 -1.28 0.00 0.00 178.44 178.00 1wdd n THR 71 N -3.47 0.88 0.12 0.12 -2.24 -1.26 -1.48 114.28 106.95 1wdd n THR 71 Ca -0.01 0.29 0.09 0.00 -2.27 0.00 0.00 64.05 62.15 1wdd n THR 71 Cb 0.26 -1.21 0.58 0.00 -2.10 0.00 0.00 70.33 67.86 1wdd n THR 71 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wdd h ASP 72 N 0.00 0.16 0.52 3.42 3.32 -1.86 -1.15 116.42 120.83 1wdd h ASP 72 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wdd h ASP 72 Cb 0.31 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1wdd h ASP 72 CO 0.00 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.24 1wdd n GLY 73 N -1.53 -1.06 0.20 2.75 0.00 -0.55 -2.37 105.19 102.63 1wdd n GLY 73 Ca 0.02 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1wdd n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wdd h LEU 74 N 0.00 0.00 0.00 0.99 3.38 -1.38 -3.47 115.31 114.83 1wdd h LEU 74 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wdd h LEU 74 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1wdd h LEU 74 CO 0.00 0.00 0.00 1.07 0.09 0.00 0.00 178.44 179.60 1wdd n THR 75 N -3.01 0.00 -3.95 0.22 5.66 -1.00 -5.13 114.28 107.07 1wdd n THR 75 Ca 0.04 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.73 1wdd n THR 75 Cb 0.52 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.15 1wdd n THR 75 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1wdd s SER 76 N 0.44 4.34 0.47 1.09 0.15 -1.26 -4.95 113.70 113.97 1wdd s SER 76 Ca 0.00 -1.69 0.21 0.00 0.70 0.00 0.00 55.95 55.18 1wdd s SER 76 Cb 0.00 -1.35 1.15 0.00 -1.71 0.00 0.00 66.02 64.11 1wdd s SER 76 CO 0.00 -0.32 1.97 -0.07 1.20 0.00 0.00 173.24 176.02 1wdd h LEU 77 N 7.82 0.00 -1.46 3.45 4.07 -1.98 -1.52 115.31 125.69 1wdd h LEU 77 Ca -0.12 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 1wdd h LEU 77 Cb 1.04 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 1wdd h LEU 77 CO 0.47 0.20 0.21 0.44 -1.08 0.00 0.00 178.44 178.69 1wdd h ASP 78 N 0.00 0.52 0.37 -0.43 3.32 -1.96 0.67 116.42 118.91 1wdd h ASP 78 Ca -0.00 -0.04 -0.31 0.00 0.02 0.00 0.00 57.03 56.70 1wdd h ASP 78 Cb 0.46 -0.13 0.03 0.00 0.22 0.00 0.00 39.33 39.90 1wdd h ASP 78 CO 0.03 0.43 -1.37 -0.09 -1.72 0.00 0.00 179.24 176.52 1wdd h ARG 79 N 0.59 0.46 0.00 3.56 2.43 -1.73 -3.40 114.38 116.29 1wdd h ARG 79 Ca 0.15 -0.76 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 1wdd h ARG 79 Cb 0.04 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1wdd h ARG 79 CO -0.02 1.36 -1.70 0.66 -1.51 0.00 0.00 179.97 178.76 1wdd n TYR 80 N -3.67 0.00 -2.11 2.20 4.01 -0.81 -4.81 117.16 111.97 1wdd n TYR 80 Ca -0.14 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.22 1wdd n TYR 80 Cb 1.06 -0.36 -0.00 0.00 -0.31 0.00 0.00 39.34 39.73 1wdd n TYR 80 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1wdd s LYS 81 N -3.14 3.78 0.50 -0.72 -2.85 0.20 -4.60 119.74 112.92 1wdd s LYS 81 Ca -0.05 2.00 -0.18 0.00 -1.00 0.00 0.00 55.97 56.73 1wdd s LYS 81 Cb 0.11 -2.55 -0.08 0.00 -2.06 0.00 0.00 37.83 33.25 1wdd s LYS 81 CO 0.71 -0.60 1.00 0.20 0.10 0.00 0.00 175.35 176.76 1wdd s GLY 82 N -1.03 2.27 -0.10 0.59 0.00 -1.26 -4.51 107.32 103.28 1wdd s GLY 82 Ca 0.61 0.39 -0.06 0.00 0.00 0.00 0.00 44.72 45.66 1wdd s GLY 82 CO 0.43 0.68 0.24 1.09 0.00 0.00 0.00 173.10 175.54 1wdd s ARG 83 N -3.63 0.22 -0.41 2.90 1.70 -0.41 -4.59 118.95 114.74 1wdd s ARG 83 Ca 0.63 0.47 -0.27 0.00 -0.47 0.00 0.00 55.73 56.08 1wdd s ARG 83 Cb -0.12 -0.05 0.02 0.00 -0.57 0.00 0.00 34.95 34.23 1wdd s ARG 83 CO 0.25 -0.12 1.01 0.00 -1.08 0.00 0.00 175.30 175.35 1wdd n TYR 85 N 7.19 0.00 -3.63 0.00 4.11 -0.40 -0.59 117.16 123.84 1wdd n TYR 85 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.88 1wdd n TYR 85 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.75 1wdd n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1wdd s HIS 86 N -1.39 -0.66 -0.02 -3.48 5.04 -1.23 -4.27 115.29 109.29 1wdd s HIS 86 Ca 0.13 1.57 0.01 0.00 -1.54 0.00 0.00 55.06 55.23 1wdd s HIS 86 Cb 0.11 0.33 0.01 0.00 0.04 0.00 0.00 32.58 33.07 1wdd s HIS 86 CO 0.25 -0.32 -0.04 0.42 -2.34 0.00 0.00 174.74 172.71 1wdd s ILE 87 N 0.42 0.42 -0.01 0.89 1.01 -1.26 -0.61 121.20 122.06 1wdd s ILE 87 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1wdd s ILE 87 Cb -0.05 -0.40 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 1wdd s ILE 87 CO -0.04 0.15 0.04 -1.83 0.00 0.00 0.00 174.94 173.26 1wdd s GLU 88 N 0.36 0.13 0.54 2.79 -1.05 -0.27 -4.97 118.70 116.24 1wdd s GLU 88 Ca -0.04 -0.09 -0.18 0.00 -0.15 0.00 0.00 54.97 54.51 1wdd s GLU 88 Cb -0.08 0.05 -0.06 0.00 -0.44 0.00 0.00 34.13 33.61 1wdd s GLU 88 CO -0.00 -0.02 1.07 -2.14 0.95 0.00 0.00 175.26 175.12 1wdd s PRO 89 N -0.34 3.47 -0.26 -4.83 0.02 -1.26 0.05 135.00 131.85 1wdd s PRO 89 Ca -0.04 1.39 -0.19 0.00 0.02 0.00 0.00 61.00 62.19 1wdd s PRO 89 Cb -0.03 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1wdd s PRO 89 CO -0.00 -0.72 0.56 0.08 -0.33 0.00 0.00 177.00 176.59 1wdd s VAL 90 N -2.07 5.04 0.21 3.83 1.01 -0.28 -4.77 120.40 123.37 1wdd s VAL 90 Ca 0.68 0.98 -0.31 0.00 0.00 0.00 0.00 61.98 63.33 1wdd s VAL 90 Cb -0.19 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.22 1wdd s VAL 90 CO 0.28 0.06 1.57 -0.69 0.00 0.00 0.00 175.10 176.33 1wdd s VAL 91 N 2.38 2.44 0.00 2.92 1.01 -1.26 -2.60 120.40 125.28 1wdd s VAL 91 Ca 0.23 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1wdd s VAL 91 Cb -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1wdd s VAL 91 CO 0.09 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1wdd n GLY 92 N 3.23 1.39 3.59 4.51 0.00 -1.26 -5.02 105.19 111.64 1wdd n GLY 92 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1wdd n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wdd s GLU 93 N -0.33 2.14 -0.16 1.61 0.41 -1.07 -5.11 118.70 116.18 1wdd s GLU 93 Ca 0.00 -1.33 -0.07 0.00 -0.41 0.00 0.00 54.97 53.16 1wdd s GLU 93 Cb 0.00 -2.15 -0.04 0.00 -1.78 0.00 0.00 34.13 30.16 1wdd s GLU 93 CO 0.00 0.41 0.07 -0.51 -0.49 0.00 0.00 175.26 174.74 1wdd s ASP 94 N -3.15 5.77 -1.51 -0.19 -0.00 -1.26 -4.54 116.67 111.80 1wdd s ASP 94 Ca 0.27 0.16 -0.06 0.00 -0.00 0.00 0.00 52.55 52.93 1wdd s ASP 94 Cb -0.08 -1.94 0.02 0.00 -0.00 0.00 0.00 42.92 40.92 1wdd s ASP 94 CO 0.17 0.23 0.62 -3.20 -0.00 0.00 0.00 175.17 172.99 1wdd n ASN 95 N 3.14 -5.74 -4.22 0.27 4.05 -1.26 -4.99 115.26 106.52 1wdd n ASN 95 Ca -0.17 -0.32 -0.24 0.00 0.45 0.00 0.00 54.58 54.29 1wdd n ASN 95 Cb 0.53 -4.64 -0.14 0.00 1.23 0.00 0.00 39.78 36.75 1wdd n ASN 95 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1wdd s GLN 96 N -5.79 1.32 0.04 1.20 0.74 -1.26 -3.91 119.66 112.00 1wdd s GLN 96 Ca 0.34 -0.85 -0.03 0.00 0.05 0.00 0.00 55.36 54.86 1wdd s GLN 96 Cb -0.15 -1.39 -0.02 0.00 1.10 0.00 0.00 33.01 32.55 1wdd s GLN 96 CO 0.41 0.36 0.04 0.71 -0.55 0.00 0.00 175.29 176.26 1wdd s TYR 97 N -0.74 0.29 -0.27 1.67 1.51 -0.35 -1.12 117.35 118.35 1wdd s TYR 97 Ca 0.06 -0.65 -0.09 0.00 -1.01 0.00 0.00 57.07 55.38 1wdd s TYR 97 Cb -0.08 -0.21 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1wdd s TYR 97 CO 0.01 -0.33 0.13 0.42 -1.11 0.00 0.00 175.55 174.67 1wdd s ILE 98 N -2.71 4.77 -0.17 2.71 -1.09 0.11 -0.31 121.20 124.51 1wdd s ILE 98 Ca -0.04 -0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 58.29 1wdd s ILE 98 Cb -0.01 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1wdd s ILE 98 CO -0.05 0.28 -0.00 0.00 -1.23 0.00 0.00 174.94 173.94 1wdd s ALA 99 N 1.68 3.13 -0.18 9.38 0.00 0.91 -1.11 121.76 135.57 1wdd s ALA 99 Ca 0.07 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1wdd s ALA 99 Cb -0.16 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1wdd s ALA 99 CO 0.07 0.15 0.09 0.71 0.00 0.00 0.00 175.76 176.78 1wdd s TYR 100 N 0.46 3.34 -0.03 0.00 1.51 0.22 -0.75 117.35 122.10 1wdd s TYR 100 Ca -0.01 0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.31 1wdd s TYR 100 Cb -0.14 -2.09 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1wdd s TYR 100 CO 0.02 0.26 -0.18 0.08 -1.11 0.00 0.00 175.55 174.62 1wdd s VAL 101 N 0.22 1.44 -0.13 0.71 1.01 -0.31 -1.27 120.40 122.07 1wdd s VAL 101 Ca 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1wdd s VAL 101 Cb -0.12 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1wdd s VAL 101 CO -0.00 0.41 -0.09 0.00 0.00 0.00 0.00 175.10 175.42 1wdd s ALA 102 N -0.21 2.81 -0.15 5.51 0.00 -0.01 -0.38 121.76 129.34 1wdd s ALA 102 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1wdd s ALA 102 Cb -0.09 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1wdd s ALA 102 CO 0.01 0.29 -0.17 0.71 0.00 0.00 0.00 175.76 176.59 1wdd s TYR 103 N 0.16 2.74 0.50 0.00 2.02 0.71 -1.29 117.35 122.21 1wdd s TYR 103 Ca -0.05 -1.10 -0.23 0.00 -0.37 0.00 0.00 57.07 55.32 1wdd s TYR 103 Cb -0.14 -1.86 -0.06 0.00 -0.40 0.00 0.00 41.96 39.49 1wdd s TYR 103 CO 0.04 -0.50 1.38 -2.14 -1.57 0.00 0.00 175.55 172.76 1wdd s PRO 104 N 0.78 3.40 0.40 -1.71 0.02 -1.26 -1.01 135.00 135.61 1wdd s PRO 104 Ca -0.06 2.29 0.15 0.00 0.02 0.00 0.00 61.00 63.39 1wdd s PRO 104 Cb -0.15 -2.43 1.00 0.00 0.02 0.00 0.00 34.50 32.93 1wdd s PRO 104 CO 0.00 -1.00 1.87 1.25 -0.33 0.00 0.00 177.00 178.79 1wdd h LEU 105 N 1.85 0.47 -0.48 -5.54 5.85 -1.93 -1.16 115.31 114.38 1wdd h LEU 105 Ca -0.51 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1wdd h LEU 105 Cb 1.28 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1wdd h LEU 105 CO 0.59 0.22 0.00 0.47 -0.34 0.00 0.00 178.44 179.38 1wdd n ASP 106 N -4.52 0.29 0.07 1.25 8.00 -1.26 -2.09 116.55 118.29 1wdd n ASP 106 Ca 0.18 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.39 1wdd n ASP 106 Cb 0.59 -0.65 0.46 0.00 -0.02 0.00 0.00 41.12 41.50 1wdd n ASP 106 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wdd n LEU 107 N -1.85 0.45 -4.53 0.64 4.77 -0.44 -4.86 117.00 111.18 1wdd n LEU 107 Ca 0.01 0.58 -0.32 0.00 -0.03 0.00 0.00 56.01 56.25 1wdd n LEU 107 Cb 0.12 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 1wdd n LEU 107 CO 0.11 -0.28 -0.43 -0.36 -1.33 0.00 0.00 177.39 175.10 1wdd s PHE 108 N -3.13 2.76 -0.04 -1.77 0.08 -0.89 -5.03 117.98 109.97 1wdd s PHE 108 Ca 0.09 -0.12 -0.30 0.00 0.12 0.00 0.00 56.93 56.72 1wdd s PHE 108 Cb 0.12 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1wdd s PHE 108 CO 0.45 0.30 1.07 -2.00 -0.10 0.00 0.00 175.22 174.95 1wdd s GLU 109 N -1.25 4.45 0.32 0.44 2.12 -1.26 -4.98 118.70 118.54 1wdd s GLU 109 Ca 0.15 1.52 -0.29 0.00 0.36 0.00 0.00 54.97 56.71 1wdd s GLU 109 Cb -0.11 -3.49 -0.12 0.00 0.26 0.00 0.00 34.13 30.67 1wdd s GLU 109 CO 0.05 -0.26 1.44 0.39 -0.54 0.00 0.00 175.26 176.34 1wdd n GLU 110 N 4.54 2.40 -0.93 4.30 4.71 -1.26 -2.44 120.64 131.96 1wdd n GLU 110 Ca 0.08 0.84 0.00 0.00 -0.01 0.00 0.00 57.16 58.08 1wdd n GLU 110 Cb 0.48 -2.53 0.00 0.00 -1.01 0.00 0.00 31.44 28.39 1wdd n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wdd n GLY 111 N 1.25 0.45 3.04 0.62 0.00 -1.22 -4.98 105.19 104.35 1wdd n GLY 111 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1wdd n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wdd s SER 112 N -2.26 4.85 0.32 1.61 0.15 -1.02 -4.92 113.70 112.43 1wdd s SER 112 Ca 0.00 -2.50 0.00 0.00 0.70 0.00 0.00 55.95 54.15 1wdd s SER 112 Cb 0.00 -1.72 0.53 0.00 -1.71 0.00 0.00 66.02 63.11 1wdd s SER 112 CO 0.00 -0.38 1.95 0.58 1.20 0.00 0.00 173.24 176.59 1wdd h VAL 113 N 5.99 1.19 -0.53 4.45 2.07 -1.93 -1.81 116.25 125.68 1wdd h VAL 113 Ca -0.07 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.08 1wdd h VAL 113 Cb 0.98 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 1wdd h VAL 113 CO 0.65 0.21 0.07 0.74 0.02 0.00 0.00 177.57 179.25 1wdd h THR 114 N 0.90 0.65 -0.56 2.57 2.02 -1.91 -0.66 112.91 115.91 1wdd h THR 114 Ca 0.23 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 1wdd h THR 114 Cb 0.01 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1wdd h THR 114 CO -0.04 0.03 0.02 -1.13 0.37 0.00 0.00 175.52 174.78 1wdd h ASN 115 N 0.19 0.96 -0.31 4.18 -0.73 -1.70 -0.62 115.58 117.55 1wdd h ASN 115 Ca 0.27 -0.30 0.02 0.00 1.87 0.00 0.00 56.30 58.17 1wdd h ASN 115 Cb 0.40 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.70 1wdd h ASN 115 CO -0.39 1.02 0.14 -0.03 -0.37 0.00 0.00 177.43 177.80 1wdd h MET 116 N 0.87 0.29 -0.35 6.67 4.05 -0.82 -2.08 114.93 123.55 1wdd h MET 116 Ca 0.16 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.46 1wdd h MET 116 Cb 0.51 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1wdd h MET 116 CO 0.02 0.19 -0.21 0.74 0.23 0.00 0.00 176.91 177.89 1wdd h PHE 117 N 0.30 0.76 -0.80 1.39 -1.00 -1.04 -1.56 116.94 114.99 1wdd h PHE 117 Ca 0.13 -0.16 0.06 0.00 2.81 0.00 0.00 57.97 60.81 1wdd h PHE 117 Cb 0.06 -0.19 -0.06 0.00 3.61 0.00 0.00 35.95 39.38 1wdd h PHE 117 CO -0.11 0.83 0.49 1.15 -1.61 0.00 0.00 178.31 179.06 1wdd h THR 118 N 0.60 1.02 0.19 -1.55 2.02 -0.52 0.87 112.91 115.54 1wdd h THR 118 Ca 0.09 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1wdd h THR 118 Cb 0.68 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1wdd h THR 118 CO 0.05 0.16 -0.09 0.28 0.37 0.00 0.00 175.52 176.29 1wdd h SER 119 N 0.89 -0.22 0.49 4.18 0.02 -1.26 -2.26 113.55 115.40 1wdd h SER 119 Ca 0.35 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 1wdd h SER 119 Cb 0.17 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1wdd h SER 119 CO -0.17 0.32 -0.61 0.40 -1.14 0.00 0.00 176.83 175.62 1wdd h ILE 120 N -0.90 1.41 0.00 3.27 2.04 -1.12 -3.20 117.51 119.01 1wdd h ILE 120 Ca -0.03 -2.04 -0.00 0.00 1.00 0.00 0.00 64.86 63.79 1wdd h ILE 120 Cb 0.50 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1wdd h ILE 120 CO 0.04 0.59 -0.17 1.33 0.00 0.00 0.00 178.15 179.95 1wdd n VAL 121 N -3.84 1.34 0.06 1.67 0.24 0.28 -4.82 118.33 113.26 1wdd n VAL 121 Ca -0.02 -1.64 -0.13 0.00 -2.04 0.00 0.00 64.34 60.51 1wdd n VAL 121 Cb 0.61 -0.01 -0.09 0.00 -1.47 0.00 0.00 33.84 32.88 1wdd n VAL 121 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1wdd h GLY 122 N 0.05 -0.19 0.00 7.63 0.00 -1.17 -3.41 103.07 105.97 1wdd h GLY 122 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1wdd h GLY 122 CO 0.00 -0.07 -0.56 0.70 0.00 0.00 0.00 176.54 176.61 1wdd n ASN 123 N -4.98 2.81 0.28 0.19 3.02 -1.26 -4.84 115.26 110.49 1wdd n ASN 123 Ca -0.09 -0.08 0.17 0.00 -0.03 0.00 0.00 54.58 54.55 1wdd n ASN 123 Cb 0.24 0.73 0.78 0.00 -0.61 0.00 0.00 39.78 40.92 1wdd n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1wdd h VAL 124 N 0.00 0.18 0.00 2.41 -1.51 -1.82 -2.66 116.25 112.85 1wdd h VAL 124 Ca 0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1wdd h VAL 124 Cb 0.00 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1wdd h VAL 124 CO 0.00 0.05 0.00 0.49 -1.23 0.00 0.00 177.57 176.88 1wdd n PHE 125 N -3.23 0.54 0.19 5.19 3.01 -1.26 -2.79 117.46 119.10 1wdd n PHE 125 Ca -0.01 0.21 0.10 0.00 1.01 0.00 0.00 57.45 58.76 1wdd n PHE 125 Cb 0.26 -0.83 0.19 0.00 -0.01 0.00 0.00 39.48 39.08 1wdd n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wdd n GLY 126 N 0.15 1.69 3.74 1.37 0.00 -1.00 -4.82 105.19 106.32 1wdd n GLY 126 Ca 0.03 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1wdd n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wdd s PHE 127 N -1.28 2.86 0.48 1.61 0.40 -1.12 -4.87 117.98 116.07 1wdd s PHE 127 Ca 0.33 0.80 0.15 0.00 -0.60 0.00 0.00 56.93 57.61 1wdd s PHE 127 Cb 0.19 -3.99 1.13 0.00 0.51 0.00 0.00 43.02 40.86 1wdd s PHE 127 CO 0.26 -3.37 2.08 0.87 0.70 0.00 0.00 175.22 175.76 1wdd h LYS 128 N 5.21 0.03 0.00 0.44 1.57 -1.94 -1.81 116.57 120.07 1wdd h LYS 128 Ca -0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1wdd h LYS 128 Cb 1.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1wdd h LYS 128 CO 0.81 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.79 1wdd n ALA 129 N -2.52 1.95 -2.57 3.86 0.00 -1.26 -4.69 120.51 115.29 1wdd n ALA 129 Ca -0.02 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1wdd n ALA 129 Cb 0.16 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.21 1wdd n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wdd s LEU 130 N -2.60 3.02 -0.08 0.00 1.43 -0.68 -1.12 118.68 118.65 1wdd s LEU 130 Ca 0.16 -0.34 0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1wdd s LEU 130 Cb 0.12 -1.80 -0.23 0.00 0.03 0.00 0.00 46.19 44.30 1wdd s LEU 130 CO 0.28 0.21 0.53 0.54 0.23 0.00 0.00 176.35 178.13 1wdd n ARG 131 N 0.95 0.65 -3.51 1.70 1.74 0.89 -4.70 116.66 114.39 1wdd n ARG 131 Ca -0.14 0.24 -0.13 0.00 -0.77 0.00 0.00 57.85 57.05 1wdd n ARG 131 Cb 0.52 -1.74 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1wdd n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wdd s ALA 132 N -2.58 -1.78 -0.19 7.54 0.00 -1.08 -5.00 121.76 118.68 1wdd s ALA 132 Ca -0.07 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1wdd s ALA 132 Cb 0.08 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.39 1wdd s ALA 132 CO 0.82 -0.52 0.47 -1.17 0.00 0.00 0.00 175.76 175.36 1wdd s LEU 133 N -1.81 -0.11 -0.04 0.00 2.96 -1.22 -1.15 118.68 117.31 1wdd s LEU 133 Ca -0.03 0.99 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 1wdd s LEU 133 Cb -0.01 1.58 0.02 0.00 0.50 0.00 0.00 46.19 48.28 1wdd s LEU 133 CO -0.01 -0.19 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.16 1wdd s ARG 134 N 1.04 0.99 -0.32 1.98 3.52 0.06 -1.19 118.95 125.03 1wdd s ARG 134 Ca -0.06 -0.20 -0.22 0.00 -0.13 0.00 0.00 55.73 55.11 1wdd s ARG 134 Cb -0.06 -0.93 -0.00 0.00 -1.56 0.00 0.00 34.95 32.40 1wdd s ARG 134 CO -0.09 -0.02 0.73 -1.17 -0.81 0.00 0.00 175.30 173.94 1wdd s LEU 135 N 0.69 4.12 -0.07 -0.88 2.96 0.14 0.03 118.68 125.67 1wdd s LEU 135 Ca -0.10 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1wdd s LEU 135 Cb -0.13 -2.97 -0.25 0.00 0.50 0.00 0.00 46.19 43.33 1wdd s LEU 135 CO 0.01 -0.59 0.55 -0.33 -1.32 0.00 0.00 176.35 174.67 1wdd h GLU 136 N 8.21 0.17 -2.62 1.98 4.39 -1.17 -0.52 114.58 125.01 1wdd h GLU 136 Ca -0.25 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1wdd h GLU 136 Cb 1.10 0.11 -0.14 0.00 -0.10 0.00 0.00 28.75 29.71 1wdd h GLU 136 CO 0.86 0.93 0.28 0.34 -1.16 0.00 0.00 179.01 180.26 1wdd s ASP 137 N -6.68 -0.54 -0.03 1.42 -1.08 -1.20 -4.54 116.67 104.02 1wdd s ASP 137 Ca -0.14 0.15 0.02 0.00 -0.52 0.00 0.00 52.55 52.06 1wdd s ASP 137 Cb 0.07 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 42.07 1wdd s ASP 137 CO 0.80 -0.81 -0.09 -0.76 0.52 0.00 0.00 175.17 174.84 1wdd s LEU 138 N -2.35 1.78 -0.38 -1.34 1.43 -1.26 -1.44 118.68 115.11 1wdd s LEU 138 Ca -0.00 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.75 1wdd s LEU 138 Cb -0.01 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.69 1wdd s LEU 138 CO -0.08 0.06 0.43 -0.60 0.23 0.00 0.00 176.35 176.39 1wdd s ARG 139 N 0.21 3.35 -0.37 1.70 3.00 0.85 -4.94 118.95 122.76 1wdd s ARG 139 Ca -0.03 -0.53 -0.17 0.00 -1.00 0.00 0.00 55.73 54.00 1wdd s ARG 139 Cb -0.08 -3.88 -0.00 0.00 0.00 0.00 0.00 34.95 30.98 1wdd s ARG 139 CO 0.00 -0.71 0.44 0.42 0.00 0.00 0.00 175.30 175.46 1wdd s ILE 140 N 2.16 5.08 0.54 4.11 -1.09 -1.26 -2.47 121.20 128.27 1wdd s ILE 140 Ca 0.13 0.07 -0.18 0.00 -2.23 0.00 0.00 60.65 58.44 1wdd s ILE 140 Cb -0.16 -3.94 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 1wdd s ILE 140 CO 0.13 -0.23 1.05 -2.16 -1.23 0.00 0.00 174.94 172.50 1wdd s PRO 141 N 2.21 3.55 0.37 2.79 0.04 -1.26 -4.63 135.00 138.08 1wdd s PRO 141 Ca 0.15 1.29 0.10 0.00 0.04 0.00 0.00 61.00 62.57 1wdd s PRO 141 Cb -0.16 -2.06 0.85 0.00 0.04 0.00 0.00 34.50 33.17 1wdd s PRO 141 CO 0.13 -0.63 1.90 -1.35 0.04 0.00 0.00 177.00 177.10 1wdd h PRO 142 N 0.99 0.63 0.00 0.56 0.11 -1.84 0.18 132.00 132.63 1wdd h PRO 142 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1wdd h PRO 142 Cb 1.22 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wdd h PRO 142 CO 0.58 0.42 -0.06 1.79 -0.21 0.00 0.00 178.00 180.52 1wdd h THR 143 N 0.65 0.58 0.07 -1.15 1.35 -1.91 -1.62 112.91 110.87 1wdd h THR 143 Ca 0.39 -0.25 -0.35 0.00 -0.55 0.00 0.00 66.41 65.65 1wdd h THR 143 Cb 0.62 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1wdd h THR 143 CO -0.16 0.06 -1.95 0.00 -0.25 0.00 0.00 175.52 173.22 1wdd n TYR 144 N -3.79 0.93 0.22 4.73 9.36 -0.06 -4.36 117.16 124.19 1wdd n TYR 144 Ca -0.02 0.25 0.06 0.00 3.32 0.00 0.00 57.90 61.50 1wdd n TYR 144 Cb 0.15 -1.11 0.52 0.00 -0.63 0.00 0.00 39.34 38.27 1wdd n TYR 144 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1wdd h SER 145 N -0.25 0.00 0.34 2.98 4.64 -1.10 -1.29 113.55 118.87 1wdd h SER 145 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1wdd h SER 145 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1wdd h SER 145 CO -0.04 0.20 0.00 0.29 -0.87 0.00 0.00 176.83 176.41 1wdd n LYS 146 N -4.17 0.10 -0.06 4.77 4.76 -0.62 -1.58 118.16 121.35 1wdd n LYS 146 Ca -0.02 0.46 0.10 0.00 -2.87 0.00 0.00 58.31 55.97 1wdd n LYS 146 Cb 0.27 -1.74 0.40 0.00 -1.84 0.00 0.00 35.03 32.12 1wdd n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1wdd n THR 147 N -1.93 0.17 -4.53 -0.18 -2.24 -0.48 -4.85 114.28 100.24 1wdd n THR 147 Ca 0.01 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 1wdd n THR 147 Cb 0.12 0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 1wdd n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1wdd s PHE 148 N -1.83 2.74 0.12 4.78 0.40 -0.61 -3.42 117.98 120.15 1wdd s PHE 148 Ca 0.30 -0.14 -0.15 0.00 -0.60 0.00 0.00 56.93 56.35 1wdd s PHE 148 Cb 0.16 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 1wdd s PHE 148 CO 0.24 0.32 1.55 0.37 0.70 0.00 0.00 175.22 178.41 1wdd h GLN 149 N 4.47 0.70 0.00 0.44 4.15 -1.86 -3.49 115.11 119.51 1wdd h GLN 149 Ca -0.48 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 58.70 1wdd h GLN 149 Cb 1.16 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1wdd h GLN 149 CO 0.51 0.81 0.00 0.41 -1.93 0.00 0.00 178.83 178.64 1wdd n GLY 150 N -0.30 -1.38 3.64 2.39 0.00 -1.06 -4.88 105.19 103.62 1wdd n GLY 150 Ca -0.01 -1.29 -0.45 0.00 0.00 0.00 0.00 46.02 44.28 1wdd n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wdd n PRO 151 N 0.00 1.76 0.06 1.61 -0.02 -1.25 -4.30 135.00 132.87 1wdd n PRO 151 Ca 0.00 0.62 0.09 0.00 -2.02 0.00 0.00 63.50 62.19 1wdd n PRO 151 Cb 0.00 -2.16 0.54 0.00 -0.02 0.00 0.00 33.50 31.86 1wdd n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wdd h PRO 152 N 3.01 0.29 0.00 0.52 0.11 -1.82 -3.40 132.00 130.70 1wdd h PRO 152 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wdd h PRO 152 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wdd h PRO 152 CO 0.67 0.19 -0.06 0.72 -0.21 0.00 0.00 178.00 179.31 1wdd n HIS 153 N -4.48 -1.36 0.00 0.65 8.25 -1.26 -4.71 115.22 112.31 1wdd n HIS 153 Ca 0.03 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1wdd n HIS 153 Cb 0.20 0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1wdd n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wdd n GLY 154 N 2.25 0.67 0.32 -1.41 0.00 -1.26 -4.44 105.19 101.32 1wdd n GLY 154 Ca 0.00 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 1wdd n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wdd h ILE 155 N 0.00 0.29 -0.27 -0.61 2.04 -1.69 -0.71 117.51 116.56 1wdd h ILE 155 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1wdd h ILE 155 Cb 0.00 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1wdd h ILE 155 CO 0.00 0.00 0.11 1.56 0.00 0.00 0.00 178.15 179.82 1wdd h GLN 156 N -0.32 0.40 -0.67 2.37 7.50 -1.89 -1.69 115.11 120.81 1wdd h GLN 156 Ca 0.13 -0.07 -0.06 0.00 0.50 0.00 0.00 58.65 59.15 1wdd h GLN 156 Cb 0.53 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.96 1wdd h GLN 156 CO -0.42 0.42 0.18 0.28 -1.50 0.00 0.00 178.83 177.78 1wdd h VAL 157 N 0.29 1.25 -0.26 -0.54 2.07 -1.71 -0.64 116.25 116.71 1wdd h VAL 157 Ca 0.09 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1wdd h VAL 157 Cb 0.16 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1wdd h VAL 157 CO -0.01 0.35 0.12 -0.08 0.02 0.00 0.00 177.57 177.97 1wdd h GLU 158 N 1.00 0.38 -0.91 1.57 4.81 -0.91 0.13 114.58 120.65 1wdd h GLU 158 Ca 0.21 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1wdd h GLU 158 Cb 0.32 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1wdd h GLU 158 CO -0.00 0.39 0.57 0.00 -0.73 0.00 0.00 179.01 179.23 1wdd h ARG 159 N 0.28 1.23 -0.39 1.92 3.08 -1.04 -1.85 114.38 117.61 1wdd h ARG 159 Ca 0.09 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1wdd h ARG 159 Cb 0.14 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1wdd h ARG 159 CO -0.01 0.84 -0.15 -0.44 -1.07 0.00 0.00 179.97 179.14 1wdd h ASP 160 N 1.25 0.71 0.08 7.04 3.32 -0.50 0.58 116.42 128.91 1wdd h ASP 160 Ca 0.33 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 1wdd h ASP 160 Cb -0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1wdd h ASP 160 CO -0.06 0.87 -0.46 0.11 -1.72 0.00 0.00 179.24 177.98 1wdd h LYS 161 N 0.64 0.46 -0.01 3.56 1.79 -0.43 -3.20 116.57 119.38 1wdd h LYS 161 Ca 0.10 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1wdd h LYS 161 Cb 0.62 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1wdd h LYS 161 CO 0.04 0.83 -0.45 1.28 -1.08 0.00 0.00 179.45 180.07 1wdd n LEU 162 N -3.99 1.26 -3.59 2.94 4.77 -0.72 -4.97 117.00 112.70 1wdd n LEU 162 Ca -0.02 -0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 55.33 1wdd n LEU 162 Cb 0.54 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1wdd n LEU 162 CO 0.45 0.25 0.18 -3.20 -1.33 0.00 0.00 177.39 173.74 1wdd n ASN 163 N -0.67 -4.87 -4.05 -1.43 5.15 0.15 -4.61 115.26 104.93 1wdd n ASN 163 Ca 0.09 -0.60 -0.30 0.00 -0.60 0.00 0.00 54.58 53.17 1wdd n ASN 163 Cb 0.38 -4.90 -0.16 0.00 -0.53 0.00 0.00 39.78 34.56 1wdd n ASN 163 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1wdd s LYS 164 N -6.08 2.43 0.01 1.20 1.02 -0.89 -5.02 119.74 112.40 1wdd s LYS 164 Ca 0.42 -0.61 -0.03 0.00 0.02 0.00 0.00 55.97 55.76 1wdd s LYS 164 Cb -0.19 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1wdd s LYS 164 CO 0.74 -0.20 0.04 0.71 -0.92 0.00 0.00 175.35 175.72 1wdd s TYR 165 N 1.36 0.17 0.00 3.18 2.02 -1.26 -4.68 117.35 118.13 1wdd s TYR 165 Ca 0.03 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1wdd s TYR 165 Cb -0.13 -0.13 0.00 0.00 -0.40 0.00 0.00 41.96 41.29 1wdd s TYR 165 CO -0.09 -0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.06 1wdd n GLY 166 N 1.52 0.75 3.57 0.71 0.00 -1.26 -5.03 105.19 105.45 1wdd n GLY 166 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 1wdd n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wdd s ARG 167 N -0.59 1.01 0.69 1.61 1.70 -1.26 -5.02 118.95 117.08 1wdd s ARG 167 Ca 0.00 -0.44 -0.16 0.00 -0.47 0.00 0.00 55.73 54.67 1wdd s ARG 167 Cb 0.00 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.82 1wdd s ARG 167 CO 0.00 -0.45 1.18 -2.14 -1.08 0.00 0.00 175.30 172.82 1wdd s PRO 168 N -3.27 2.45 0.54 3.89 0.02 -1.17 -4.77 135.00 132.68 1wdd s PRO 168 Ca 0.06 1.69 -0.09 0.00 0.02 0.00 0.00 61.00 62.68 1wdd s PRO 168 Cb -0.01 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 1wdd s PRO 168 CO -0.06 -1.58 0.91 -0.51 -0.33 0.00 0.00 177.00 175.43 1wdd s LEU 169 N -4.87 3.46 -0.07 -5.54 1.43 -0.19 -4.92 118.68 107.98 1wdd s LEU 169 Ca 0.73 1.21 0.04 0.00 -1.03 0.00 0.00 54.13 55.07 1wdd s LEU 169 Cb -0.27 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1wdd s LEU 169 CO 0.42 -0.70 -0.18 -0.76 0.23 0.00 0.00 176.35 175.36 1wdd s LEU 170 N -4.82 1.89 0.00 1.79 1.43 -1.26 -0.47 118.68 117.24 1wdd s LEU 170 Ca 0.52 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1wdd s LEU 170 Cb -0.11 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 45.00 1wdd s LEU 170 CO 0.47 0.12 0.01 0.61 0.23 0.00 0.00 176.35 177.79 1wdd n GLY 171 N 3.53 4.03 3.47 -3.19 0.00 -0.34 -0.96 105.19 111.73 1wdd n GLY 171 Ca -0.20 -1.91 0.02 0.00 0.00 0.00 0.00 46.02 43.93 1wdd n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdd s THR 173 N 1.59 4.95 0.45 0.00 2.01 -1.26 -4.32 115.64 119.05 1wdd s THR 173 Ca -0.05 1.47 -0.24 0.00 0.31 0.00 0.00 61.69 63.17 1wdd s THR 173 Cb -0.02 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 1wdd s THR 173 CO -0.14 0.30 1.28 -0.63 -0.69 0.00 0.00 174.62 174.74 1wdd s ILE 174 N 0.46 2.63 0.05 1.82 -1.09 -1.26 -4.39 121.20 119.42 1wdd s ILE 174 Ca 0.37 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 1wdd s ILE 174 Cb -0.18 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 1wdd s ILE 174 CO 0.19 0.04 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.36 1wdd s LYS 175 N -2.48 0.54 0.81 2.79 -0.14 -1.26 -4.46 119.74 115.54 1wdd s LYS 175 Ca 0.61 -0.97 -0.13 0.00 -1.36 0.00 0.00 55.97 54.12 1wdd s LYS 175 Cb -0.36 0.04 0.09 0.00 -1.68 0.00 0.00 37.83 35.91 1wdd s LYS 175 CO 0.45 -0.05 1.19 -1.25 -0.76 0.00 0.00 175.35 174.93 1wdd s PRO 176 N -2.76 1.62 0.13 -1.68 0.04 -1.26 -5.05 135.00 126.04 1wdd s PRO 176 Ca -0.02 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.52 1wdd s PRO 176 Cb -0.01 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1wdd s PRO 176 CO -0.05 -2.21 1.71 0.87 0.04 0.00 0.00 177.00 177.36 1wdd h LYS 177 N -1.00 0.05 -5.37 4.56 1.57 -1.99 -3.44 116.57 110.95 1wdd h LYS 177 Ca -0.46 -0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.88 1wdd h LYS 177 Cb 1.29 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.45 1wdd h LYS 177 CO 0.46 0.03 -0.68 -0.51 -0.57 0.00 0.00 179.45 178.18 1wdd s LEU 178 N -10.38 2.42 0.00 2.94 1.43 -1.26 -4.70 118.68 109.13 1wdd s LEU 178 Ca -0.13 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1wdd s LEU 178 Cb 0.10 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1wdd s LEU 178 CO 0.69 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1wdd n GLY 179 N -0.48 1.23 3.81 -3.19 0.00 -1.26 -5.09 105.19 100.21 1wdd n GLY 179 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1wdd n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wdd s LEU 180 N 0.00 4.32 0.78 0.99 1.43 -1.26 -5.01 118.68 119.93 1wdd s LEU 180 Ca 0.00 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 1wdd s LEU 180 Cb 0.00 -3.70 0.06 0.00 0.03 0.00 0.00 46.19 42.58 1wdd s LEU 180 CO 0.00 -0.00 1.09 -0.94 0.23 0.00 0.00 176.35 176.73 1wdd s SER 181 N -1.68 4.65 0.20 2.29 1.04 -1.26 -4.52 113.70 114.42 1wdd s SER 181 Ca 0.45 1.38 -0.10 0.00 0.48 0.00 0.00 55.95 58.16 1wdd s SER 181 Cb -0.17 -2.14 0.22 0.00 0.10 0.00 0.00 66.02 64.03 1wdd s SER 181 CO 0.21 -1.88 1.78 0.00 0.98 0.00 0.00 173.24 174.34 1wdd h ALA 182 N -1.03 0.79 -0.53 5.32 0.00 -1.92 0.10 119.26 122.01 1wdd h ALA 182 Ca -0.46 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1wdd h ALA 182 Cb 1.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1wdd h ALA 182 CO 0.59 -0.06 -0.09 -0.22 0.00 0.00 0.00 179.25 179.47 1wdd h LYS 183 N 0.56 0.98 0.00 0.00 1.63 -1.93 -1.59 116.57 116.21 1wdd h LYS 183 Ca 0.28 -0.34 -0.10 0.00 -0.85 0.00 0.00 60.65 59.64 1wdd h LYS 183 Cb 0.23 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1wdd h LYS 183 CO -0.21 1.01 -0.47 -0.91 -3.45 0.00 0.00 179.45 175.43 1wdd h ASN 184 N 0.88 0.00 -0.10 4.20 2.35 -1.81 -1.20 115.58 119.90 1wdd h ASN 184 Ca 0.14 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1wdd h ASN 184 Cb 0.63 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 1wdd h ASN 184 CO 0.04 0.47 0.06 0.22 -1.65 0.00 0.00 177.43 176.57 1wdd h TYR 185 N 0.00 0.13 -0.42 1.19 3.20 -0.31 -0.62 116.97 120.14 1wdd h TYR 185 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1wdd h TYR 185 Cb 0.85 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 1wdd h TYR 185 CO 0.00 0.14 0.09 0.78 -1.64 0.00 0.00 178.16 177.54 1wdd h GLY 186 N 0.08 0.67 0.92 1.82 0.00 -1.11 -0.50 103.07 104.95 1wdd h GLY 186 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1wdd h GLY 186 CO -0.01 0.34 0.10 -0.09 0.00 0.00 0.00 176.54 176.89 1wdd h ARG 187 N 0.61 0.30 -0.47 4.80 2.43 -0.88 -0.12 114.38 121.05 1wdd h ARG 187 Ca 0.14 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1wdd h ARG 187 Cb 0.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1wdd h ARG 187 CO -0.00 0.31 0.15 0.00 -1.51 0.00 0.00 179.97 178.92 1wdd h ALA 188 N 0.97 0.61 -0.14 2.80 0.00 -0.84 -2.08 119.26 120.57 1wdd h ALA 188 Ca 0.07 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1wdd h ALA 188 Cb 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1wdd h ALA 188 CO -0.01 0.26 -0.11 0.00 0.00 0.00 0.00 179.25 179.39 1wdd h TYR 190 N -0.11 0.61 -0.56 0.00 3.20 -0.86 -0.58 116.97 118.67 1wdd h TYR 190 Ca 0.09 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1wdd h TYR 190 Cb 0.25 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1wdd h TYR 190 CO -0.24 0.37 0.07 0.93 -1.64 0.00 0.00 178.16 177.65 1wdd h GLU 191 N 0.65 0.90 0.03 1.82 4.39 -1.22 -0.86 114.58 120.28 1wdd h GLU 191 Ca 0.19 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1wdd h GLU 191 Cb -0.03 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1wdd h GLU 191 CO -0.06 0.85 -0.01 0.00 -1.16 0.00 0.00 179.01 178.62 1wdd h LEU 193 N -0.40 0.78 -1.39 0.00 3.38 -0.97 -2.67 115.31 114.04 1wdd h LEU 193 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1wdd h LEU 193 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1wdd h LEU 193 CO 0.01 0.70 0.00 0.08 0.09 0.00 0.00 178.44 179.32 1wdd h ARG 194 N 0.85 0.00 -0.00 1.13 0.11 -1.19 -2.51 114.38 112.77 1wdd h ARG 194 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1wdd h ARG 194 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1wdd h ARG 194 CO -0.02 0.00 -0.20 0.41 0.10 0.00 0.00 179.97 180.27 1wdd n GLY 195 N -0.03 -1.32 0.00 0.08 0.00 -1.01 -4.91 105.19 98.01 1wdd n GLY 195 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1wdd n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdd n GLY 196 N 1.46 0.40 3.80 -0.02 0.00 -0.94 -2.24 105.19 107.64 1wdd n GLY 196 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1wdd n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wdd s LEU 197 N 0.00 3.89 0.09 0.99 1.43 -1.22 -4.80 118.68 119.05 1wdd s LEU 197 Ca 0.00 1.90 -0.04 0.00 -1.03 0.00 0.00 54.13 54.96 1wdd s LEU 197 Cb 0.00 -4.53 -0.22 0.00 0.03 0.00 0.00 46.19 41.47 1wdd s LEU 197 CO 0.00 -0.68 1.19 0.44 0.23 0.00 0.00 176.35 177.53 1wdd h ASP 198 N 1.70 0.44 -5.05 2.29 3.32 -1.38 -3.43 116.42 114.32 1wdd h ASP 198 Ca -0.49 -0.44 -0.16 0.00 0.02 0.00 0.00 57.03 55.96 1wdd h ASP 198 Cb 1.21 -0.14 -0.18 0.00 0.22 0.00 0.00 39.33 40.44 1wdd h ASP 198 CO 0.60 1.31 -0.69 -0.36 -1.72 0.00 0.00 179.24 178.37 1wdd s PHE 199 N -2.83 0.46 0.00 4.55 0.08 -0.30 -1.79 117.98 118.15 1wdd s PHE 199 Ca -0.04 -0.80 0.00 0.00 0.12 0.00 0.00 56.93 56.21 1wdd s PHE 199 Cb 0.08 -0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.20 1wdd s PHE 199 CO 0.88 -0.26 0.00 0.25 -0.10 0.00 0.00 175.22 175.98 1wdd n THR 200 N 0.79 0.00 -3.07 0.64 -2.24 -0.94 -2.90 114.28 106.55 1wdd n THR 200 Ca -0.18 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 1wdd n THR 200 Cb 0.58 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 1wdd n THR 200 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wdd s ASP 202 N 0.94 7.19 0.78 3.42 1.01 -0.90 -0.77 116.67 128.34 1wdd s ASP 202 Ca 0.00 1.49 -0.13 0.00 0.71 0.00 0.00 52.55 54.62 1wdd s ASP 202 Cb 0.00 -2.44 0.07 0.00 1.01 0.00 0.00 42.92 41.55 1wdd s ASP 202 CO 0.00 0.13 1.17 -0.62 0.21 0.00 0.00 175.17 176.06 1wdd s ASP 203 N -1.38 3.94 0.43 0.27 -1.08 -1.26 -4.88 116.67 112.71 1wdd s ASP 203 Ca 0.38 2.22 0.14 0.00 -0.52 0.00 0.00 52.55 54.78 1wdd s ASP 203 Cb -0.20 -2.57 1.04 0.00 -1.46 0.00 0.00 42.92 39.73 1wdd s ASP 203 CO 0.23 -2.43 1.97 1.05 0.52 0.00 0.00 175.17 176.51 1wdd h GLU 204 N -0.81 0.39 -0.11 4.34 9.09 -1.98 -0.33 114.58 125.18 1wdd h GLU 204 Ca -0.46 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1wdd h GLU 204 Cb 1.28 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1wdd h GLU 204 CO 0.48 0.26 0.00 0.27 0.05 0.00 0.00 179.01 180.07 1wdd n ASN 205 N -4.47 1.84 -4.56 3.06 6.94 -1.26 -4.75 115.26 112.07 1wdd n ASN 205 Ca 0.11 -1.67 -0.43 0.00 -0.02 0.00 0.00 54.58 52.57 1wdd n ASN 205 Cb 0.41 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.73 1wdd n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wdd s VAL 206 N -1.87 4.27 0.00 3.53 1.01 -0.14 -4.83 120.40 122.37 1wdd s VAL 206 Ca 0.35 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1wdd s VAL 206 Cb 0.20 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1wdd s VAL 206 CO 0.30 -1.12 0.00 0.59 0.00 0.00 0.00 175.10 174.87 1wdd n ASN 207 N 7.75 0.00 -3.70 3.32 5.03 -1.26 -4.73 115.26 121.67 1wdd n ASN 207 Ca 0.06 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.37 1wdd n ASN 207 Cb 0.48 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 39.11 1wdd n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1wdd s SER 208 N 1.00 0.07 0.21 6.41 0.15 -1.26 -4.10 113.70 116.18 1wdd s SER 208 Ca 0.00 0.49 -0.08 0.00 0.70 0.00 0.00 55.95 57.07 1wdd s SER 208 Cb 0.00 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1wdd s SER 208 CO 0.00 -0.20 0.31 -1.10 1.20 0.00 0.00 173.24 173.45 1wdd s GLN 209 N 1.73 1.32 0.39 5.44 1.11 -0.40 -4.92 119.66 124.33 1wdd s GLN 209 Ca -0.05 -1.37 0.09 0.00 0.01 0.00 0.00 55.36 54.05 1wdd s GLN 209 Cb -0.11 0.38 0.85 0.00 -1.01 0.00 0.00 33.01 33.12 1wdd s GLN 209 CO -0.08 -0.50 1.96 -1.35 0.01 0.00 0.00 175.29 175.34 1wdd h PRO 210 N 2.46 0.60 0.00 2.91 0.11 -2.01 -1.11 132.00 134.96 1wdd h PRO 210 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1wdd h PRO 210 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1wdd h PRO 210 CO 0.45 0.40 0.00 1.97 -0.21 0.00 0.00 178.00 180.61 1wdd n PHE 211 N -4.48 0.56 -3.21 0.65 1.16 -1.26 -4.71 117.46 106.17 1wdd n PHE 211 Ca 0.11 0.17 0.04 0.00 -1.87 0.00 0.00 57.45 55.90 1wdd n PHE 211 Cb 0.29 -0.78 -0.02 0.00 -1.61 0.00 0.00 39.48 37.35 1wdd n PHE 211 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1wdd s MET 212 N -3.09 0.28 0.28 3.97 0.00 -0.42 -4.22 119.30 116.10 1wdd s MET 212 Ca 0.10 0.55 -0.15 0.00 0.00 0.00 0.00 55.69 56.20 1wdd s MET 212 Cb 0.14 0.32 -0.08 0.00 0.00 0.00 0.00 34.83 35.20 1wdd s MET 212 CO 0.52 -0.26 0.69 1.03 0.00 0.00 0.00 175.02 177.01 1wdd s ARG 213 N 2.81 4.01 0.26 4.11 1.81 -1.21 -1.28 118.95 129.47 1wdd s ARG 213 Ca 0.03 0.63 -0.04 0.00 -1.72 0.00 0.00 55.73 54.63 1wdd s ARG 213 Cb -0.10 -2.57 0.32 0.00 -0.45 0.00 0.00 34.95 32.14 1wdd s ARG 213 CO -0.14 0.24 1.85 0.11 -0.68 0.00 0.00 175.30 176.68 1wdd h TRP 214 N 2.59 1.06 -0.21 -0.53 5.08 -1.90 -2.28 115.95 119.76 1wdd h TRP 214 Ca -0.48 -0.05 -0.12 0.00 1.08 0.00 0.00 58.89 59.32 1wdd h TRP 214 Cb 1.18 -0.33 -0.01 0.00 -3.00 0.00 0.00 29.16 27.00 1wdd h TRP 214 CO 0.62 0.78 -0.39 -0.09 -1.28 0.00 0.00 178.44 178.08 1wdd h ARG 215 N 1.05 0.49 -0.58 0.12 2.43 -1.94 0.68 114.38 116.64 1wdd h ARG 215 Ca 0.25 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1wdd h ARG 215 Cb 0.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1wdd h ARG 215 CO -0.03 0.81 0.21 -0.44 -1.51 0.00 0.00 179.97 179.01 1wdd h ASP 216 N 0.41 0.82 -0.72 -3.80 3.32 -1.91 -1.73 116.42 112.80 1wdd h ASP 216 Ca 0.04 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1wdd h ASP 216 Cb 0.87 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1wdd h ASP 216 CO 0.07 0.78 0.33 -0.09 -1.72 0.00 0.00 179.24 178.61 1wdd h ARG 217 N 0.81 1.05 -0.76 3.56 2.43 -0.75 -1.84 114.38 118.88 1wdd h ARG 217 Ca 0.19 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1wdd h ARG 217 Cb 0.23 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1wdd h ARG 217 CO -0.01 0.84 0.39 0.74 -1.51 0.00 0.00 179.97 180.42 1wdd h PHE 218 N 1.02 1.07 0.06 2.20 -1.00 -0.58 0.11 116.94 119.82 1wdd h PHE 218 Ca 0.25 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.98 1wdd h PHE 218 Cb 0.15 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.37 1wdd h PHE 218 CO 0.01 0.77 -0.03 0.28 -1.61 0.00 0.00 178.31 177.73 1wdd h VAL 219 N 1.06 1.02 -0.09 -0.55 2.07 -1.03 -0.70 116.25 118.02 1wdd h VAL 219 Ca 0.26 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1wdd h VAL 219 Cb 0.08 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1wdd h VAL 219 CO -0.04 0.07 -0.56 -0.26 0.02 0.00 0.00 177.57 176.80 1wdd h PHE 220 N -0.21 0.35 -0.22 1.57 0.04 -1.08 -1.92 116.94 115.47 1wdd h PHE 220 Ca -0.01 -0.12 -0.15 0.00 2.80 0.00 0.00 57.97 60.49 1wdd h PHE 220 Cb 0.18 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1wdd h PHE 220 CO -0.03 0.77 -0.48 0.00 -0.60 0.00 0.00 178.31 177.97 1wdd h ALA 222 N 1.02 0.80 -0.68 0.00 0.00 -0.86 0.54 119.26 120.08 1wdd h ALA 222 Ca 0.02 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wdd h ALA 222 Cb 1.00 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1wdd h ALA 222 CO 0.09 0.28 0.38 1.49 0.00 0.00 0.00 179.25 181.49 1wdd h GLU 223 N 0.85 0.67 -0.61 0.00 4.81 -1.07 -1.72 114.58 117.51 1wdd h GLU 223 Ca 0.22 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1wdd h GLU 223 Cb -0.01 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1wdd h GLU 223 CO -0.04 0.45 0.03 0.00 -0.73 0.00 0.00 179.01 178.71 1wdd h ALA 224 N 1.35 0.81 -0.34 2.92 0.00 -0.62 -1.08 119.26 122.32 1wdd h ALA 224 Ca 0.31 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wdd h ALA 224 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1wdd h ALA 224 CO -0.19 0.63 0.21 0.82 0.00 0.00 0.00 179.25 180.73 1wdd h ILE 225 N 0.95 1.11 -0.03 0.00 2.04 -0.59 -1.36 117.51 119.63 1wdd h ILE 225 Ca 0.18 -0.26 -0.16 0.00 1.00 0.00 0.00 64.86 65.61 1wdd h ILE 225 Cb 0.53 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1wdd h ILE 225 CO 0.03 0.11 -0.72 1.88 0.00 0.00 0.00 178.15 179.45 1wdd h TYR 226 N 0.44 0.24 -0.15 1.37 0.05 -1.20 -0.90 116.97 116.82 1wdd h TYR 226 Ca 0.12 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1wdd h TYR 226 Cb 0.00 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 1wdd h TYR 226 CO -0.04 0.83 -0.08 -0.22 -1.05 0.00 0.00 178.16 177.60 1wdd h LYS 227 N 0.12 0.32 -0.33 4.88 3.64 -1.05 -1.09 116.57 123.05 1wdd h LYS 227 Ca -0.02 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1wdd h LYS 227 Cb 1.28 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1wdd h LYS 227 CO 0.11 0.65 -0.16 0.66 -2.27 0.00 0.00 179.45 178.44 1wdd h SER 228 N -0.02 0.58 -0.52 4.20 4.64 -1.17 -1.10 113.55 120.17 1wdd h SER 228 Ca 0.03 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 61.09 1wdd h SER 228 Cb 0.56 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1wdd h SER 228 CO 0.02 0.76 -0.04 -0.61 -0.87 0.00 0.00 176.83 176.10 1wdd h GLN 229 N 0.54 0.94 -0.66 4.77 4.15 -1.08 -1.34 115.11 122.43 1wdd h GLN 229 Ca 0.09 -0.32 -0.09 0.00 0.77 0.00 0.00 58.65 59.11 1wdd h GLN 229 Cb 0.58 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 1wdd h GLN 229 CO 0.04 0.98 0.08 0.00 -1.93 0.00 0.00 178.83 178.00 1wdd h ALA 230 N 0.93 0.88 -0.24 3.38 0.00 -0.94 0.92 119.26 124.20 1wdd h ALA 230 Ca 0.14 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1wdd h ALA 230 Cb 0.58 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wdd h ALA 230 CO 0.03 0.68 -0.52 1.49 0.00 0.00 0.00 179.25 180.93 1wdd h GLU 231 N 1.04 0.67 0.00 0.00 4.81 -1.02 -3.34 114.58 116.74 1wdd h GLU 231 Ca 0.20 -0.41 -0.26 0.00 -0.13 0.00 0.00 59.36 58.76 1wdd h GLU 231 Cb 0.48 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1wdd h GLU 231 CO 0.02 1.02 -1.87 0.25 -0.73 0.00 0.00 179.01 177.71 1wdd n THR 232 N -3.99 1.30 -0.78 0.32 -2.24 -0.52 -4.99 114.28 103.39 1wdd n THR 232 Ca -0.03 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1wdd n THR 232 Cb 0.60 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1wdd n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wdd n GLY 233 N 1.55 0.76 3.65 3.38 0.00 0.31 -5.05 105.19 109.79 1wdd n GLY 233 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1wdd n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wdd s GLU 234 N -0.22 2.60 0.25 1.61 2.02 -1.25 -5.05 118.70 118.65 1wdd s GLU 234 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1wdd s GLU 234 Cb 0.00 -2.55 -0.10 0.00 0.10 0.00 0.00 34.13 31.58 1wdd s GLU 234 CO 0.00 0.59 1.45 0.42 0.02 0.00 0.00 175.26 177.74 1wdd s ILE 235 N -1.13 2.63 0.24 -1.63 1.01 -1.26 -4.49 121.20 116.57 1wdd s ILE 235 Ca 0.21 0.52 0.10 0.00 0.00 0.00 0.00 60.65 61.48 1wdd s ILE 235 Cb -0.11 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1wdd s ILE 235 CO 0.12 0.08 -0.17 -0.54 0.00 0.00 0.00 174.94 174.43 1wdd s LYS 236 N -0.31 1.49 0.12 2.79 -0.14 -1.26 -4.90 119.74 117.52 1wdd s LYS 236 Ca 0.60 -1.67 -0.12 0.00 -1.36 0.00 0.00 55.97 53.41 1wdd s LYS 236 Cb -0.42 -1.40 0.01 0.00 -1.68 0.00 0.00 37.83 34.34 1wdd s LYS 236 CO 0.43 0.24 0.30 0.20 -0.76 0.00 0.00 175.35 175.77 1wdd s GLY 237 N -3.40 -0.02 -0.06 -3.33 0.00 -0.74 -4.76 107.32 95.01 1wdd s GLY 237 Ca 0.26 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 1wdd s GLY 237 CO 0.10 -0.58 0.03 -1.58 0.00 0.00 0.00 173.10 171.07 1wdd s HIS 238 N -3.85 0.38 -0.31 1.90 2.46 -1.26 -2.21 115.29 112.41 1wdd s HIS 238 Ca 0.06 0.03 -0.29 0.00 0.47 0.00 0.00 55.06 55.33 1wdd s HIS 238 Cb 0.03 -0.64 -0.01 0.00 -0.13 0.00 0.00 32.58 31.83 1wdd s HIS 238 CO -0.10 -0.26 1.60 0.71 -2.47 0.00 0.00 174.74 174.23 1wdd s TYR 239 N 2.02 2.12 -0.15 3.88 2.02 0.05 -4.75 117.35 122.55 1wdd s TYR 239 Ca 0.04 0.62 -0.20 0.00 -0.37 0.00 0.00 57.07 57.16 1wdd s TYR 239 Cb -0.12 -4.10 -0.03 0.00 -0.40 0.00 0.00 41.96 37.30 1wdd s TYR 239 CO -0.04 -2.62 0.59 -0.51 -1.57 0.00 0.00 175.55 171.39 1wdd s LEU 240 N 5.73 4.21 -0.15 -1.29 1.43 -1.21 -2.12 118.68 125.28 1wdd s LEU 240 Ca 0.71 0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 54.38 1wdd s LEU 240 Cb -0.21 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1wdd s LEU 240 CO 0.31 -0.16 1.17 0.21 0.23 0.00 0.00 176.35 178.12 1wdd s ASN 241 N 0.97 7.03 0.00 2.29 3.84 -1.26 -0.89 114.94 126.92 1wdd s ASN 241 Ca 0.29 1.63 0.25 0.00 0.21 0.00 0.00 52.86 55.23 1wdd s ASN 241 Cb -0.16 -2.54 0.43 0.00 -0.55 0.00 0.00 41.25 38.42 1wdd s ASN 241 CO 0.12 -0.68 1.36 0.00 -2.79 0.00 0.00 177.10 175.11 1wdd n ALA 242 N 6.11 3.36 -1.67 1.71 0.00 -0.20 -4.92 120.51 124.90 1wdd n ALA 242 Ca 0.12 -0.50 -0.45 0.00 0.00 0.00 0.00 53.44 52.62 1wdd n ALA 242 Cb 0.46 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 1wdd n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wdd n THR 243 N -0.52 0.80 -3.94 0.00 -1.04 -1.26 -4.29 114.28 104.03 1wdd n THR 243 Ca 0.10 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.05 61.82 1wdd n THR 243 Cb 0.39 -1.45 -0.02 0.00 -1.82 0.00 0.00 70.33 67.42 1wdd n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wdd s ALA 244 N 0.08 -0.31 -0.00 2.41 0.00 -1.26 -4.83 121.76 117.86 1wdd s ALA 244 Ca 0.70 -0.90 0.19 0.00 0.00 0.00 0.00 51.96 51.95 1wdd s ALA 244 Cb -0.66 0.95 0.49 0.00 0.00 0.00 0.00 23.12 23.89 1wdd s ALA 244 CO 0.48 -0.91 1.64 0.78 0.00 0.00 0.00 175.76 177.75 1wdd h GLY 245 N 2.11 0.00 -2.93 0.00 0.00 -1.96 -3.46 103.07 96.83 1wdd h GLY 245 Ca -0.27 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.83 1wdd h GLY 245 CO 0.35 0.00 -0.68 -0.51 0.00 0.00 0.00 176.54 175.70 1wdd s THR 246 N -3.34 0.59 0.28 4.70 -4.23 -1.26 -5.05 115.64 107.33 1wdd s THR 246 Ca 0.02 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1wdd s THR 246 Cb 0.09 -1.85 0.09 0.00 1.34 0.00 0.00 72.50 72.17 1wdd s THR 246 CO 0.69 -0.72 1.74 0.00 -0.54 0.00 0.00 174.62 175.80 1wdd h GLU 248 N 0.53 0.93 -0.21 0.00 3.07 -1.99 -1.17 114.58 115.73 1wdd h GLU 248 Ca 0.09 -0.31 -0.16 0.00 -0.50 0.00 0.00 59.36 58.49 1wdd h GLU 248 Cb 0.58 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1wdd h GLU 248 CO 0.04 0.96 -0.51 0.93 -1.40 0.00 0.00 179.01 179.03 1wdd h GLU 249 N 0.84 0.59 -0.28 2.33 4.39 -1.88 -1.48 114.58 119.09 1wdd h GLU 249 Ca 0.14 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1wdd h GLU 249 Cb 0.60 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1wdd h GLU 249 CO 0.04 0.96 0.14 1.98 -1.16 0.00 0.00 179.01 180.97 1wdd h MET 250 N 0.46 0.41 -0.42 2.33 4.05 -0.93 -1.57 114.93 119.26 1wdd h MET 250 Ca 0.02 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.28 1wdd h MET 250 Cb 1.05 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.75 1wdd h MET 250 CO 0.10 0.39 -0.15 0.82 0.23 0.00 0.00 176.91 178.30 1wdd h ILE 251 N 0.33 1.26 -0.91 1.77 1.08 -1.19 -1.73 117.51 118.12 1wdd h ILE 251 Ca 0.10 -1.23 0.06 0.00 -0.39 0.00 0.00 64.86 63.39 1wdd h ILE 251 Cb 0.11 1.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.90 1wdd h ILE 251 CO -0.01 0.42 0.58 0.50 -0.69 0.00 0.00 178.15 178.95 1wdd h LYS 252 N 0.71 1.03 -0.20 2.37 3.64 -0.98 0.11 116.57 123.25 1wdd h LYS 252 Ca 0.11 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1wdd h LYS 252 Cb 0.65 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1wdd h LYS 252 CO 0.05 0.68 -0.24 0.00 -2.27 0.00 0.00 179.45 177.67 1wdd h ARG 253 N 1.07 0.51 -0.86 1.90 3.08 -0.84 -2.32 114.38 116.91 1wdd h ARG 253 Ca 0.39 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1wdd h ARG 253 Cb 0.14 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1wdd h ARG 253 CO -0.16 0.88 0.57 0.00 -1.07 0.00 0.00 179.97 180.18 1wdd h ALA 254 N 0.63 1.39 -0.43 0.04 0.00 -0.81 -1.80 119.26 118.28 1wdd h ALA 254 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1wdd h ALA 254 Cb 0.80 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wdd h ALA 254 CO 0.06 0.56 0.01 0.28 0.00 0.00 0.00 179.25 180.16 1wdd h VAL 255 N 1.16 1.22 -0.14 0.00 2.07 -0.62 -0.47 116.25 119.48 1wdd h VAL 255 Ca 0.32 -0.90 -0.21 0.00 0.82 0.00 0.00 66.70 66.73 1wdd h VAL 255 Cb -0.12 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1wdd h VAL 255 CO -0.07 0.31 -0.75 0.15 0.02 0.00 0.00 177.57 177.24 1wdd h PHE 256 N 0.65 0.90 -0.93 1.57 3.57 -1.00 -0.69 116.94 121.00 1wdd h PHE 256 Ca 0.13 -0.39 0.04 0.00 3.53 0.00 0.00 57.97 61.28 1wdd h PHE 256 Cb 0.38 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 1wdd h PHE 256 CO 0.02 1.20 0.60 0.00 -2.23 0.00 0.00 178.31 177.90 1wdd h ALA 257 N 0.70 1.24 -0.67 2.41 0.00 -1.01 -0.27 119.26 121.65 1wdd h ALA 257 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wdd h ALA 257 Cb 1.35 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1wdd h ALA 257 CO 0.15 0.46 0.43 -0.09 0.00 0.00 0.00 179.25 180.20 1wdd h ARG 258 N 1.16 0.89 -0.87 0.00 1.12 -0.78 -2.02 114.38 113.88 1wdd h ARG 258 Ca 0.37 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 59.16 1wdd h ARG 258 Cb 0.02 -0.20 -0.04 0.00 -0.01 0.00 0.00 29.97 29.74 1wdd h ARG 258 CO -0.13 0.61 0.45 1.49 -3.11 0.00 0.00 179.97 179.28 1wdd h GLU 259 N 0.91 1.24 0.00 0.20 4.81 -0.24 -1.57 114.58 119.93 1wdd h GLU 259 Ca 0.24 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1wdd h GLU 259 Cb -0.08 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.07 1wdd h GLU 259 CO -0.05 0.93 0.00 -0.07 -0.73 0.00 0.00 179.01 179.09 1wdd h LEU 260 N 1.23 0.00 0.00 1.64 3.38 -0.67 -3.47 115.31 117.43 1wdd h LEU 260 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1wdd h LEU 260 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wdd h LEU 260 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1wdd n GLY 261 N -0.06 0.50 3.81 0.83 0.00 -0.59 -5.03 105.19 104.66 1wdd n GLY 261 Ca 0.01 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1wdd n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wdd s VAL 262 N -2.00 3.66 -0.33 1.61 -7.23 -1.16 -4.99 120.40 109.95 1wdd s VAL 262 Ca 0.00 0.54 0.23 0.00 -1.81 0.00 0.00 61.98 60.94 1wdd s VAL 262 Cb 0.00 -3.25 0.12 0.00 0.56 0.00 0.00 36.38 33.81 1wdd s VAL 262 CO 0.00 -0.70 1.26 1.55 -0.31 0.00 0.00 175.10 176.90 1wdd h PRO 263 N -0.88 0.00 -2.84 4.82 0.13 -1.91 -3.46 132.00 127.85 1wdd h PRO 263 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1wdd h PRO 263 Cb 1.23 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.12 1wdd h PRO 263 CO 0.57 0.00 -0.28 -1.50 -0.23 0.00 0.00 178.00 176.56 1wdd s ILE 264 N -3.30 0.00 0.36 -3.56 2.07 -1.26 -1.10 121.20 114.41 1wdd s ILE 264 Ca 0.03 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 1wdd s ILE 264 Cb 0.08 -0.53 -0.07 0.00 0.13 0.00 0.00 42.46 42.08 1wdd s ILE 264 CO 0.74 -0.01 0.04 0.68 -1.91 0.00 0.00 174.94 174.49 1wdd s VAL 265 N 0.14 1.42 0.17 4.00 -7.23 -0.41 -3.28 120.40 115.21 1wdd s VAL 265 Ca -0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1wdd s VAL 265 Cb -0.03 -2.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1wdd s VAL 265 CO 0.01 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.75 1wdd s MET 266 N -3.83 1.13 -0.08 4.82 0.23 -0.06 -0.44 119.30 121.07 1wdd s MET 266 Ca 0.35 -1.53 -0.13 0.00 -1.03 0.00 0.00 55.69 53.35 1wdd s MET 266 Cb 0.09 -0.50 0.03 0.00 -1.53 0.00 0.00 34.83 32.92 1wdd s MET 266 CO 0.16 -0.03 0.32 -1.58 -2.03 0.00 0.00 175.02 171.86 1wdd s HIS 267 N -3.46 -0.29 -0.74 3.16 5.04 -0.49 -1.03 115.29 117.48 1wdd s HIS 267 Ca 0.21 0.65 -0.18 0.00 -1.54 0.00 0.00 55.06 54.20 1wdd s HIS 267 Cb 0.05 0.11 0.14 0.00 0.04 0.00 0.00 32.58 32.91 1wdd s HIS 267 CO 0.03 -0.26 0.83 -0.51 -2.34 0.00 0.00 174.74 172.50 1wdd s ASP 268 N -0.40 6.43 0.45 9.88 1.01 -1.26 -1.15 116.67 131.64 1wdd s ASP 268 Ca -0.05 -1.87 0.19 0.00 0.71 0.00 0.00 52.55 51.52 1wdd s ASP 268 Cb -0.03 -2.31 1.07 0.00 1.01 0.00 0.00 42.92 42.66 1wdd s ASP 268 CO 0.02 -0.99 1.96 0.10 0.21 0.00 0.00 175.17 176.48 1wdd h TYR 269 N 8.78 0.00 0.12 4.23 -0.00 -1.84 -0.07 116.97 128.19 1wdd h TYR 269 Ca -0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.31 1wdd h TYR 269 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.78 1wdd h TYR 269 CO 0.97 0.22 -1.75 -0.07 -0.00 0.00 0.00 178.16 177.53 1wdd h LEU 270 N 0.00 0.40 0.04 0.10 3.38 -1.78 0.40 115.31 117.85 1wdd h LEU 270 Ca -0.00 -0.69 -0.26 0.00 0.09 0.00 0.00 57.88 57.02 1wdd h LEU 270 Cb 0.45 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1wdd h LEU 270 CO 0.03 1.59 -1.17 0.71 0.09 0.00 0.00 178.44 179.69 1wdd h THR 271 N 0.07 1.45 -0.24 0.22 1.35 -1.68 -3.18 112.91 110.90 1wdd h THR 271 Ca -0.33 -2.83 -0.15 0.00 -0.55 0.00 0.00 66.41 62.55 1wdd h THR 271 Cb 2.04 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 71.25 1wdd h THR 271 CO 0.13 0.83 -0.43 1.23 -0.25 0.00 0.00 175.52 177.03 1wdd h GLY 272 N 1.33 0.79 0.00 5.82 0.00 -1.17 -3.51 103.07 106.34 1wdd h GLY 272 Ca -0.13 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.29 1wdd h GLY 272 CO 0.20 0.82 0.00 0.61 0.00 0.00 0.00 176.54 178.16 1wdd n GLY 273 N 0.37 2.65 0.23 4.60 0.00 0.13 -4.63 105.19 108.54 1wdd n GLY 273 Ca -0.05 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 1wdd n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wdd h PHE 274 N 0.00 0.42 -0.18 1.61 0.04 -1.87 0.69 116.94 117.64 1wdd h PHE 274 Ca 0.00 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1wdd h PHE 274 Cb 0.00 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1wdd h PHE 274 CO 0.00 0.58 0.02 1.15 -0.60 0.00 0.00 178.31 179.46 1wdd h THR 275 N 0.34 1.24 -0.66 -1.55 2.02 -1.92 -0.44 112.91 111.94 1wdd h THR 275 Ca 0.06 -0.79 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 1wdd h THR 275 Cb 0.58 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1wdd h THR 275 CO 0.04 0.24 0.11 0.00 0.37 0.00 0.00 175.52 176.28 1wdd h ALA 276 N 0.80 0.87 -0.85 6.16 0.00 -1.79 -2.66 119.26 121.80 1wdd h ALA 276 Ca 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wdd h ALA 276 Cb 0.34 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1wdd h ALA 276 CO 0.01 0.63 0.52 -0.97 0.00 0.00 0.00 179.25 179.44 1wdd h ASN 277 N 1.00 1.02 -0.44 0.00 -1.24 -0.64 -0.31 115.58 114.96 1wdd h ASN 277 Ca 0.20 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.07 1wdd h ASN 277 Cb 0.44 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 1wdd h ASN 277 CO 0.01 0.78 -0.04 0.74 -1.29 0.00 0.00 177.43 177.63 1wdd h THR 278 N 1.17 1.27 -0.45 -3.57 2.02 -1.00 0.72 112.91 113.06 1wdd h THR 278 Ca 0.31 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.41 1wdd h THR 278 Cb -0.05 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1wdd h THR 278 CO -0.06 0.38 0.23 0.28 0.37 0.00 0.00 175.52 176.72 1wdd h SER 279 N 0.65 0.34 -0.72 4.18 0.02 -1.11 -1.95 113.55 114.96 1wdd h SER 279 Ca 0.12 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1wdd h SER 279 Cb 0.55 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1wdd h SER 279 CO 0.03 0.24 0.20 0.25 -1.14 0.00 0.00 176.83 176.42 1wdd h LEU 280 N 0.46 1.08 -1.11 5.07 5.85 -0.53 -1.65 115.31 124.48 1wdd h LEU 280 Ca 0.19 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1wdd h LEU 280 Cb 0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1wdd h LEU 280 CO -0.12 1.01 0.31 0.00 -0.34 0.00 0.00 178.44 179.30 1wdd h ALA 281 N 1.12 1.30 -0.50 1.25 0.00 -0.56 0.27 119.26 122.14 1wdd h ALA 281 Ca 0.23 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1wdd h ALA 281 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1wdd h ALA 281 CO -0.00 0.54 0.02 0.45 0.00 0.00 0.00 179.25 180.26 1wdd h HIS 282 N 0.93 0.95 -0.63 0.00 3.86 -1.05 -1.34 115.15 117.86 1wdd h HIS 282 Ca 0.23 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1wdd h HIS 282 Cb 0.11 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1wdd h HIS 282 CO 0.01 0.88 0.35 -0.92 0.86 0.00 0.00 177.93 179.11 1wdd h TYR 283 N 0.74 0.87 -0.62 2.45 3.20 -0.80 -1.15 116.97 121.66 1wdd h TYR 283 Ca 0.15 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 1wdd h TYR 283 Cb 0.48 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1wdd h TYR 283 CO 0.04 0.62 0.03 0.00 -1.64 0.00 0.00 178.16 177.21 1wdd h ARG 285 N 0.98 0.65 0.00 0.00 9.65 -1.04 -0.86 114.38 123.76 1wdd h ARG 285 Ca 0.18 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1wdd h ARG 285 Cb 0.52 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1wdd h ARG 285 CO 0.03 0.48 0.00 -0.25 2.80 0.00 0.00 179.97 183.02 1wdd n ASP 286 N -4.71 0.00 -0.09 -3.80 8.00 -0.45 -3.44 116.55 112.06 1wdd n ASP 286 Ca 0.02 0.42 0.03 0.00 0.71 0.00 0.00 54.79 55.97 1wdd n ASP 286 Cb 0.06 -0.47 0.04 0.00 -0.02 0.00 0.00 41.12 40.73 1wdd n ASP 286 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1wdd n ASN 287 N -1.47 1.36 -0.73 -2.24 3.02 -0.44 -5.02 115.26 109.73 1wdd n ASN 287 Ca 0.06 -2.06 -0.10 0.00 -0.03 0.00 0.00 54.58 52.45 1wdd n ASN 287 Cb 0.22 -0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 39.21 1wdd n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdd n GLY 288 N -0.56 1.11 3.72 7.41 0.00 -0.42 -5.01 105.19 111.44 1wdd n GLY 288 Ca 0.04 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1wdd n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wdd s LEU 289 N -2.17 4.22 0.51 0.99 1.43 -0.67 -4.94 118.68 118.04 1wdd s LEU 289 Ca 0.00 0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 53.29 1wdd s LEU 289 Cb 0.00 -2.28 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1wdd s LEU 289 CO 0.00 0.11 1.12 -0.76 0.23 0.00 0.00 176.35 177.05 1wdd s LEU 290 N 0.53 3.85 -0.27 1.79 1.43 -0.26 -4.53 118.68 121.22 1wdd s LEU 290 Ca 0.13 2.17 0.01 0.00 -1.03 0.00 0.00 54.13 55.42 1wdd s LEU 290 Cb -0.12 -4.47 0.07 0.00 0.03 0.00 0.00 46.19 41.70 1wdd s LEU 290 CO 0.02 -1.04 -0.01 -0.22 0.23 0.00 0.00 176.35 175.33 1wdd s LEU 291 N -3.49 2.96 0.02 1.79 2.96 -1.26 -1.28 118.68 120.38 1wdd s LEU 291 Ca 0.69 -1.43 -0.27 0.00 -0.22 0.00 0.00 54.13 52.90 1wdd s LEU 291 Cb -0.24 -1.23 -0.05 0.00 0.50 0.00 0.00 46.19 45.17 1wdd s LEU 291 CO 0.28 -0.29 0.83 -2.28 -1.32 0.00 0.00 176.35 173.57 1wdd s HIS 292 N 1.32 3.69 -0.17 5.38 5.65 0.42 0.03 115.29 131.63 1wdd s HIS 292 Ca -0.01 1.52 -0.02 0.00 0.25 0.00 0.00 55.06 56.81 1wdd s HIS 292 Cb -0.19 -2.92 -0.01 0.00 -1.18 0.00 0.00 32.58 28.28 1wdd s HIS 292 CO -0.09 0.15 -0.08 0.42 -0.65 0.00 0.00 174.74 174.49 1wdd s ILE 293 N 0.40 3.33 -0.15 0.89 -1.09 -0.26 -1.39 121.20 122.92 1wdd s ILE 293 Ca 0.43 -0.54 -0.09 0.00 -2.23 0.00 0.00 60.65 58.21 1wdd s ILE 293 Cb -0.20 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.18 1wdd s ILE 293 CO 0.24 0.49 0.16 -2.28 -1.23 0.00 0.00 174.94 172.31 1wdd s HIS 294 N 0.73 3.52 -0.37 3.97 5.65 -0.30 -2.75 115.29 125.74 1wdd s HIS 294 Ca -0.04 0.47 0.04 0.00 0.25 0.00 0.00 55.06 55.78 1wdd s HIS 294 Cb -0.15 -2.07 0.55 0.00 -1.18 0.00 0.00 32.58 29.73 1wdd s HIS 294 CO 0.02 0.52 1.73 2.89 -0.65 0.00 0.00 174.74 179.25 1wdd n ARG 295 N 2.70 2.16 -1.54 2.88 1.85 -1.26 -2.58 116.66 120.87 1wdd n ARG 295 Ca -0.18 -2.45 -0.52 0.00 -1.00 0.00 0.00 57.85 53.70 1wdd n ARG 295 Cb 0.53 -1.97 -0.05 0.00 -1.05 0.00 0.00 32.46 29.92 1wdd n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wdd n ALA 296 N -0.75 -1.87 -0.30 2.89 0.00 -1.26 -0.99 120.51 118.23 1wdd n ALA 296 Ca 0.47 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.42 1wdd n ALA 296 Cb 1.43 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1wdd n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1wdd n MET 297 N 1.71 0.00 -0.25 0.00 0.00 -1.26 -4.06 117.12 113.26 1wdd n MET 297 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.88 1wdd n MET 297 Cb 0.19 -1.19 0.22 0.00 0.00 0.00 0.00 33.22 32.45 1wdd n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1wdd h HIS 298 N 0.00 1.01 0.00 1.12 -0.00 -1.49 -1.19 115.15 114.61 1wdd h HIS 298 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1wdd h HIS 298 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.07 1wdd h HIS 298 CO 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 177.93 178.56 1wdd n ALA 299 N -2.41 1.66 0.16 6.11 0.00 -1.26 -0.63 120.51 124.13 1wdd n ALA 299 Ca 0.09 0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.62 1wdd n ALA 299 Cb 0.04 -1.35 0.41 0.00 0.00 0.00 0.00 19.45 18.55 1wdd n ALA 299 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wdd h VAL 300 N 0.00 1.19 0.02 0.00 2.07 -1.63 -3.12 116.25 114.78 1wdd h VAL 300 Ca 0.00 -0.86 -0.37 0.00 0.82 0.00 0.00 66.70 66.29 1wdd h VAL 300 Cb 0.33 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1wdd h VAL 300 CO 0.00 0.26 -2.29 -0.38 0.02 0.00 0.00 177.57 175.18 1wdd n ILE 301 N -4.24 1.53 -0.06 4.57 5.41 -0.49 -4.73 119.36 121.34 1wdd n ILE 301 Ca -0.01 -0.69 0.04 0.00 1.00 0.00 0.00 62.75 63.09 1wdd n ILE 301 Cb 0.30 -1.17 0.11 0.00 -0.71 0.00 0.00 39.64 38.17 1wdd n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1wdd n ASP 302 N -3.13 2.59 0.09 4.38 5.68 0.20 -1.68 116.55 124.69 1wdd n ASP 302 Ca -0.37 -1.90 -0.22 0.00 -0.50 0.00 0.00 54.79 51.80 1wdd n ASP 302 Cb 1.05 -0.16 -0.15 0.00 -1.14 0.00 0.00 41.12 40.73 1wdd n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1wdd h ARG 303 N 1.65 0.47 -6.22 0.11 9.65 -1.78 -3.41 114.38 114.84 1wdd h ARG 303 Ca 0.00 -0.74 -0.57 0.00 -1.10 0.00 0.00 59.98 57.57 1wdd h ARG 303 Cb 0.64 0.27 -0.04 0.00 -1.39 0.00 0.00 29.97 29.44 1wdd h ARG 303 CO 0.00 1.34 -0.03 -0.65 2.80 0.00 0.00 179.97 183.43 1wdd s GLN 304 N -2.65 4.21 0.40 0.20 -1.52 -1.26 -4.22 119.66 114.82 1wdd s GLN 304 Ca -0.11 0.74 0.19 0.00 -1.95 0.00 0.00 55.36 54.23 1wdd s GLN 304 Cb 0.03 -3.24 0.84 0.00 -0.22 0.00 0.00 33.01 30.41 1wdd s GLN 304 CO 0.90 0.63 1.81 -0.22 -0.25 0.00 0.00 175.29 178.16 1wdd h LYS 305 N 4.60 0.00 0.00 2.91 3.64 -1.89 -3.26 116.57 122.57 1wdd h LYS 305 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1wdd h LYS 305 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1wdd h LYS 305 CO 0.64 0.32 -0.53 -2.95 -2.27 0.00 0.00 179.45 174.66 1wdd h ASN 306 N 0.00 0.00 -4.12 4.20 -1.07 -1.95 -3.46 115.58 109.18 1wdd h ASN 306 Ca -0.00 -0.02 -0.10 0.00 0.07 0.00 0.00 56.30 56.25 1wdd h ASN 306 Cb 0.75 0.00 -0.22 0.00 -2.07 0.00 0.00 38.32 36.77 1wdd h ASN 306 CO 0.04 0.01 -0.12 -2.28 0.07 0.00 0.00 177.43 175.15 1wdd s HIS 307 N -3.27 -0.52 -0.19 4.14 5.04 -1.23 -3.38 115.29 115.89 1wdd s HIS 307 Ca 0.04 1.21 0.00 0.00 -1.54 0.00 0.00 55.06 54.77 1wdd s HIS 307 Cb 0.08 0.20 0.00 0.00 0.04 0.00 0.00 32.58 32.90 1wdd s HIS 307 CO 0.73 -0.30 0.00 0.41 -2.34 0.00 0.00 174.74 173.23 1wdd n GLY 308 N 2.50 0.14 2.80 1.59 0.00 -0.33 -4.39 105.19 107.50 1wdd n GLY 308 Ca -0.15 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 1wdd n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wdd s MET 309 N -0.26 0.13 0.57 1.61 -1.94 -0.68 -0.68 119.30 118.06 1wdd s MET 309 Ca 0.00 0.12 -0.19 0.00 -1.71 0.00 0.00 55.69 53.91 1wdd s MET 309 Cb 0.00 -0.34 -0.04 0.00 2.01 0.00 0.00 34.83 36.45 1wdd s MET 309 CO 0.00 -0.14 1.17 -1.58 -0.01 0.00 0.00 175.02 174.47 1wdd s HIS 310 N 0.96 2.51 0.53 -0.03 2.46 -0.20 -3.60 115.29 117.91 1wdd s HIS 310 Ca -0.09 1.53 0.20 0.00 0.47 0.00 0.00 55.06 57.17 1wdd s HIS 310 Cb -0.12 -3.39 1.34 0.00 -0.13 0.00 0.00 32.58 30.27 1wdd s HIS 310 CO -0.02 -1.94 2.10 0.35 -2.47 0.00 0.00 174.74 172.77 1wdd h PHE 311 N 0.99 0.00 -0.07 3.88 3.57 -1.92 -1.42 116.94 121.97 1wdd h PHE 311 Ca -0.50 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.02 1wdd h PHE 311 Cb 1.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1wdd h PHE 311 CO 0.49 0.00 0.05 0.07 -2.23 0.00 0.00 178.31 176.69 1wdd h ARG 312 N 0.00 0.00 -0.15 1.11 0.11 -1.90 0.24 114.38 113.78 1wdd h ARG 312 Ca 0.08 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.08 1wdd h ARG 312 Cb 0.32 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.40 1wdd h ARG 312 CO -0.00 0.00 -0.23 0.28 0.10 0.00 0.00 179.97 180.12 1wdd h VAL 313 N 0.00 1.36 -0.10 0.08 2.07 -1.49 -1.38 116.25 116.79 1wdd h VAL 313 Ca 0.03 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 1wdd h VAL 313 Cb 0.13 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1wdd h VAL 313 CO -0.00 0.43 -0.04 -0.07 0.02 0.00 0.00 177.57 177.91 1wdd h LEU 314 N 0.04 0.12 -0.09 2.57 3.38 -1.22 -1.15 115.31 118.97 1wdd h LEU 314 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1wdd h LEU 314 Cb 0.79 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1wdd h LEU 314 CO 0.05 0.19 -0.16 0.00 0.09 0.00 0.00 178.44 178.61 1wdd h ALA 315 N 1.83 0.14 -0.77 1.53 0.00 -0.48 -1.98 119.26 119.54 1wdd h ALA 315 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1wdd h ALA 315 Cb 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1wdd h ALA 315 CO 0.01 0.04 0.44 0.87 0.00 0.00 0.00 179.25 180.61 1wdd h LYS 316 N -0.20 1.05 -0.27 0.00 1.57 -1.01 -1.41 116.57 116.30 1wdd h LYS 316 Ca 0.00 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1wdd h LYS 316 Cb 0.73 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1wdd h LYS 316 CO 0.04 0.75 -0.09 0.00 -0.57 0.00 0.00 179.45 179.58 1wdd h ALA 317 N 1.43 1.36 -0.25 3.86 0.00 -1.13 -1.20 119.26 123.33 1wdd h ALA 317 Ca 0.27 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1wdd h ALA 317 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wdd h ALA 317 CO -0.05 0.44 -0.48 1.25 0.00 0.00 0.00 179.25 180.41 1wdd h LEU 318 N 0.40 0.85 -1.61 0.00 7.12 -0.87 0.34 115.31 121.53 1wdd h LEU 318 Ca 0.08 -0.54 -0.00 0.00 0.13 0.00 0.00 57.88 57.55 1wdd h LEU 318 Cb 0.41 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.28 1wdd h LEU 318 CO 0.02 1.23 0.19 -0.09 -0.13 0.00 0.00 178.44 179.66 1wdd h ARG 319 N 0.50 0.45 0.01 1.25 2.43 -0.68 0.31 114.38 118.64 1wdd h ARG 319 Ca 0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1wdd h ARG 319 Cb 1.08 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1wdd h ARG 319 CO 0.11 0.33 -0.01 0.52 -1.51 0.00 0.00 179.97 179.41 1wdd h MET 320 N 0.46 -0.02 -0.45 0.20 2.86 -0.97 -3.31 114.93 113.69 1wdd h MET 320 Ca 0.12 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1wdd h MET 320 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1wdd h MET 320 CO -0.02 0.62 0.08 1.03 1.06 0.00 0.00 176.91 179.67 1wdd h SER 321 N -0.67 0.72 0.00 1.22 0.87 -0.71 -2.81 113.55 112.17 1wdd h SER 321 Ca -0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1wdd h SER 321 Cb 0.64 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1wdd h SER 321 CO 0.00 0.79 0.00 0.61 -0.53 0.00 0.00 176.83 177.70 1wdd n GLY 322 N -0.52 3.87 3.60 5.77 0.00 0.11 -4.48 105.19 113.53 1wdd n GLY 322 Ca 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 1wdd n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdd s GLY 323 N 0.00 -0.17 -0.04 -0.02 0.00 -1.25 -4.76 107.32 101.08 1wdd s GLY 323 Ca 0.00 2.29 0.14 0.00 0.00 0.00 0.00 44.72 47.15 1wdd s GLY 323 CO 0.00 1.14 0.62 1.22 0.00 0.00 0.00 173.10 176.08 1wdd n ASP 324 N 0.84 0.77 -4.20 1.64 8.00 0.10 -4.28 116.55 119.43 1wdd n ASP 324 Ca -0.08 0.36 -0.17 0.00 0.71 0.00 0.00 54.79 55.61 1wdd n ASP 324 Cb 0.58 0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.68 1wdd n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1wdd s HIS 325 N -2.64 1.23 -0.08 1.24 3.76 -1.01 -1.03 115.29 116.75 1wdd s HIS 325 Ca -0.05 -0.57 -0.08 0.00 -0.15 0.00 0.00 55.06 54.21 1wdd s HIS 325 Cb 0.08 -0.66 0.02 0.00 1.11 0.00 0.00 32.58 33.13 1wdd s HIS 325 CO 0.82 0.07 0.23 -1.50 -0.85 0.00 0.00 174.74 173.52 1wdd s ILE 326 N -2.05 0.00 0.34 0.60 2.07 -0.52 -1.11 121.20 120.55 1wdd s ILE 326 Ca 0.05 -0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 58.97 1wdd s ILE 326 Cb -0.05 -0.34 -0.10 0.00 0.13 0.00 0.00 42.46 42.09 1wdd s ILE 326 CO 0.02 -0.02 1.36 -1.00 -1.91 0.00 0.00 174.94 173.38 1wdd s HIS 327 N 0.03 2.93 -0.00 3.50 3.76 -1.11 -0.61 115.29 123.79 1wdd s HIS 327 Ca -0.01 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 56.24 1wdd s HIS 327 Cb -0.02 -3.77 0.00 0.00 1.11 0.00 0.00 32.58 29.90 1wdd s HIS 327 CO 0.00 -2.18 0.69 0.00 -0.85 0.00 0.00 174.74 172.41 1wdd n ALA 328 N 0.76 1.37 0.00 -1.40 0.00 -0.12 -4.75 120.51 116.37 1wdd n ALA 328 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1wdd n ALA 328 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1wdd n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wdd n GLY 329 N -0.18 0.37 0.00 0.00 0.00 -1.23 -4.90 105.19 99.24 1wdd n GLY 329 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1wdd n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wdd n THR 330 N 0.55 0.00 0.00 2.61 -2.24 -1.26 -4.13 114.28 109.80 1wdd n THR 330 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1wdd n THR 330 Cb 0.00 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1wdd n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wdd n VAL 331 N -1.44 0.00 1.10 2.28 0.31 -1.26 -4.36 118.33 114.96 1wdd n VAL 331 Ca -0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1wdd n VAL 331 Cb 0.01 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.09 1wdd n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1wdd n VAL 332 N 0.00 0.00 -0.59 2.52 0.24 -1.26 -4.61 118.33 114.63 1wdd n VAL 332 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1wdd n VAL 332 Cb 0.00 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1wdd n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wdd n GLY 333 N 1.40 0.89 0.11 7.63 0.00 -1.26 -4.23 105.19 109.73 1wdd n GLY 333 Ca 0.10 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.53 1wdd n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wdd h LYS 334 N 0.00 0.00 -6.35 1.61 2.10 -1.35 -3.44 116.57 109.13 1wdd h LYS 334 Ca 0.00 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.02 1wdd h LYS 334 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 1wdd h LYS 334 CO 0.00 0.00 -0.66 -0.51 -2.00 0.00 0.00 179.45 176.28 1wdd s LEU 335 N -4.68 3.41 0.47 7.07 1.02 -1.26 -5.04 118.68 119.66 1wdd s LEU 335 Ca 0.10 -0.26 -0.23 0.00 0.02 0.00 0.00 54.13 53.76 1wdd s LEU 335 Cb 0.12 -2.11 -0.07 0.00 0.02 0.00 0.00 46.19 44.14 1wdd s LEU 335 CO 0.61 0.14 1.21 -0.70 0.02 0.00 0.00 176.35 177.63 1wdd s GLU 336 N -2.58 3.69 -0.34 1.70 2.12 -1.26 -4.64 118.70 117.39 1wdd s GLU 336 Ca 0.26 1.89 -0.07 0.00 0.36 0.00 0.00 54.97 57.41 1wdd s GLU 336 Cb -0.11 -2.43 0.19 0.00 0.26 0.00 0.00 34.13 32.04 1wdd s GLU 336 CO 0.18 -0.64 0.98 0.20 -0.54 0.00 0.00 175.26 175.44 1wdd s GLY 337 N -1.23 -1.48 0.31 -1.50 0.00 -1.26 -4.86 107.32 97.30 1wdd s GLY 337 Ca 0.64 1.15 -0.29 0.00 0.00 0.00 0.00 44.72 46.21 1wdd s GLY 337 CO 0.38 4.20 1.51 1.85 0.00 0.00 0.00 173.10 181.03 1wdd s GLU 338 N 1.99 4.17 0.12 2.90 -6.30 -1.26 -4.09 118.70 116.23 1wdd s GLU 338 Ca 0.15 2.49 -0.25 0.00 -2.50 0.00 0.00 54.97 54.86 1wdd s GLU 338 Cb 0.02 -3.03 -0.07 0.00 0.00 0.00 0.00 34.13 31.05 1wdd s GLU 338 CO -0.14 -0.52 1.67 -0.09 0.02 0.00 0.00 175.26 176.19 1wdd h ARG 339 N 4.25 -0.29 -0.55 4.30 2.43 -1.98 -1.51 114.38 121.03 1wdd h ARG 339 Ca -0.48 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 1wdd h ARG 339 Cb 1.23 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1wdd h ARG 339 CO 0.74 -0.19 -0.05 0.93 -1.51 0.00 0.00 179.97 179.88 1wdd h GLU 340 N -0.30 1.01 -0.04 0.20 4.39 -1.91 -1.02 114.58 116.91 1wdd h GLU 340 Ca 0.05 -0.35 -0.10 0.00 0.34 0.00 0.00 59.36 59.31 1wdd h GLU 340 Cb 0.36 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1wdd h GLU 340 CO -0.15 1.03 -0.43 0.00 -1.16 0.00 0.00 179.01 178.29 1wdd h MET 341 N 0.88 0.08 -0.26 2.33 -0.00 -1.77 -2.37 114.93 113.83 1wdd h MET 341 Ca 0.15 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.70 59.75 1wdd h MET 341 Cb 0.60 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.20 1wdd h MET 341 CO 0.04 0.50 -0.08 1.15 -0.00 0.00 0.00 176.91 178.52 1wdd h THR 342 N 0.07 1.29 -0.59 -0.10 2.02 -0.94 -1.90 112.91 112.76 1wdd h THR 342 Ca 0.00 -1.12 0.05 0.00 0.77 0.00 0.00 66.41 66.11 1wdd h THR 342 Cb 0.80 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1wdd h THR 342 CO 0.06 0.35 0.39 -0.07 0.37 0.00 0.00 175.52 176.62 1wdd h LEU 343 N 0.25 0.53 -0.01 2.58 3.38 -1.03 0.78 115.31 121.79 1wdd h LEU 343 Ca 0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wdd h LEU 343 Cb 0.57 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wdd h LEU 343 CO 0.03 0.35 0.00 1.23 0.09 0.00 0.00 178.44 180.14 1wdd h GLY 344 N 0.61 0.01 2.00 0.83 0.00 -0.91 -2.03 103.07 103.59 1wdd h GLY 344 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1wdd h GLY 344 CO -0.07 0.01 -0.09 0.27 0.00 0.00 0.00 176.54 176.66 1wdd h PHE 345 N -0.26 0.00 -0.75 5.60 -5.15 -1.00 -1.56 116.94 113.81 1wdd h PHE 345 Ca 0.00 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.73 1wdd h PHE 345 Cb 0.28 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.41 1wdd h PHE 345 CO 0.02 0.09 0.30 0.28 -2.00 0.00 0.00 178.31 177.00 1wdd h VAL 346 N 0.00 1.26 -0.45 0.88 2.07 -0.75 -1.24 116.25 118.01 1wdd h VAL 346 Ca -0.00 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 1wdd h VAL 346 Cb 0.85 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1wdd h VAL 346 CO 0.01 0.33 -0.22 0.44 0.02 0.00 0.00 177.57 178.15 1wdd h ASP 347 N 1.09 0.94 -0.17 0.57 3.32 -0.95 -1.65 116.42 119.56 1wdd h ASP 347 Ca 0.25 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1wdd h ASP 347 Cb 0.22 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1wdd h ASP 347 CO -0.02 1.11 0.13 -0.07 -1.72 0.00 0.00 179.24 178.67 1wdd h LEU 348 N 0.79 0.00 0.07 1.55 3.38 -0.92 -0.13 115.31 120.05 1wdd h LEU 348 Ca 0.11 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.81 1wdd h LEU 348 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1wdd h LEU 348 CO 0.06 0.00 -1.35 -0.07 0.09 0.00 0.00 178.44 177.17 1wdd h LEU 349 N 0.00 0.22 0.00 1.67 3.38 -0.66 -3.40 115.31 116.52 1wdd h LEU 349 Ca 0.08 -0.29 -0.34 0.00 0.09 0.00 0.00 57.88 57.42 1wdd h LEU 349 Cb 0.33 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1wdd h LEU 349 CO -0.00 1.24 -2.29 0.54 0.09 0.00 0.00 178.44 178.02 1wdd n ARG 350 N -3.38 0.84 -2.40 1.13 1.74 -0.68 -0.97 116.66 112.95 1wdd n ARG 350 Ca -0.10 0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.76 1wdd n ARG 350 Cb 1.01 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 31.01 1wdd n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wdd s ASP 351 N -5.67 5.63 0.02 0.55 1.01 -0.08 -4.32 116.67 113.82 1wdd s ASP 351 Ca -0.18 0.73 0.08 0.00 0.71 0.00 0.00 52.55 53.89 1wdd s ASP 351 Cb 0.07 -1.74 -0.23 0.00 1.01 0.00 0.00 42.92 42.02 1wdd s ASP 351 CO 0.66 -1.04 0.92 -0.78 0.21 0.00 0.00 175.17 175.15 1wdd h ASP 352 N -0.16 0.06 -3.08 0.27 3.58 -1.91 -3.45 116.42 111.74 1wdd h ASP 352 Ca -0.45 -0.10 -0.25 0.00 0.42 0.00 0.00 57.03 56.65 1wdd h ASP 352 Cb 1.25 -0.02 -0.34 0.00 1.72 0.00 0.00 39.33 41.95 1wdd h ASP 352 CO 0.61 1.08 -0.58 0.12 -2.88 0.00 0.00 179.24 177.59 1wdd s PHE 353 N -2.64 -0.28 -0.21 0.28 5.36 -1.26 -0.29 117.98 118.94 1wdd s PHE 353 Ca -0.03 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 56.68 1wdd s PHE 353 Cb 0.09 -0.13 0.05 0.00 -0.34 0.00 0.00 43.02 42.68 1wdd s PHE 353 CO 0.83 -0.28 -0.09 0.42 -1.46 0.00 0.00 175.22 174.63 1wdd s ILE 354 N 2.09 1.61 0.39 3.12 1.09 -0.09 -5.00 121.20 124.41 1wdd s ILE 354 Ca -0.00 -1.06 -0.25 0.00 -1.10 0.00 0.00 60.65 58.24 1wdd s ILE 354 Cb -0.12 -1.73 -0.09 0.00 -1.06 0.00 0.00 42.46 39.46 1wdd s ILE 354 CO -0.07 0.10 1.06 -1.61 -0.10 0.00 0.00 174.94 174.32 1wdd s GLU 355 N 1.40 4.21 0.18 2.79 2.02 -1.26 -0.89 118.70 127.14 1wdd s GLU 355 Ca -0.02 1.55 -0.32 0.00 0.02 0.00 0.00 54.97 56.20 1wdd s GLU 355 Cb -0.17 -2.62 -0.16 0.00 0.10 0.00 0.00 34.13 31.29 1wdd s GLU 355 CO -0.08 -0.11 1.05 1.17 0.02 0.00 0.00 175.26 177.32 1wdd n LYS 356 N 0.07 0.94 -3.16 1.61 4.81 -1.26 -4.81 118.16 116.36 1wdd n LYS 356 Ca 0.04 0.33 0.02 0.00 -0.87 0.00 0.00 58.31 57.84 1wdd n LYS 356 Cb 0.49 -1.75 -0.01 0.00 0.02 0.00 0.00 35.03 33.78 1wdd n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1wdd s ASP 357 N -0.20 -1.48 0.57 3.14 2.15 -0.26 -4.97 116.67 115.62 1wdd s ASP 357 Ca 0.72 -0.35 0.37 0.00 0.43 0.00 0.00 52.55 53.71 1wdd s ASP 357 Cb -0.88 1.90 1.75 0.00 -0.30 0.00 0.00 42.92 45.39 1wdd s ASP 357 CO 0.54 -0.21 2.10 0.03 -0.17 0.00 0.00 175.17 177.46 1wdd h ARG 358 N 7.31 0.00 0.00 4.34 2.47 -1.93 -1.23 114.38 125.35 1wdd h ARG 358 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1wdd h ARG 358 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1wdd h ARG 358 CO 0.10 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.63 1wdd n ALA 359 N -2.05 1.79 -0.96 0.04 0.00 -1.26 -1.76 120.51 116.31 1wdd n ALA 359 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1wdd n ALA 359 Cb 0.19 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.44 1wdd n ALA 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wdd n ARG 360 N -1.39 1.29 -1.29 0.00 1.74 -0.58 -4.76 116.66 111.66 1wdd n ARG 360 Ca 0.06 -1.65 -0.10 0.00 -0.77 0.00 0.00 57.85 55.38 1wdd n ARG 360 Cb 0.15 -1.01 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1wdd n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wdd n GLY 361 N -0.68 1.14 3.40 -0.13 0.00 -0.72 -4.36 105.19 103.84 1wdd n GLY 361 Ca 0.06 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 1wdd n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wdd s ILE 362 N -2.34 4.74 -0.22 -0.61 1.01 -0.57 -4.89 121.20 118.32 1wdd s ILE 362 Ca 0.00 -0.78 0.22 0.00 0.00 0.00 0.00 60.65 60.09 1wdd s ILE 362 Cb 0.00 -4.49 0.25 0.00 0.01 0.00 0.00 42.46 38.23 1wdd s ILE 362 CO 0.00 -1.12 1.63 -0.26 0.00 0.00 0.00 174.94 175.19 1wdd h PHE 363 N 9.22 0.00 -3.95 3.97 -1.00 -1.93 -0.68 116.94 122.57 1wdd h PHE 363 Ca -0.29 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.20 1wdd h PHE 363 Cb 1.09 0.00 -0.23 0.00 3.61 0.00 0.00 35.95 40.41 1wdd h PHE 363 CO 0.84 0.18 -0.74 -0.06 -1.61 0.00 0.00 178.31 176.92 1wdd s PHE 364 N -3.25 0.63 0.23 -0.55 0.08 -1.26 -4.88 117.98 108.98 1wdd s PHE 364 Ca 0.05 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 1wdd s PHE 364 Cb 0.07 -0.38 -0.09 0.00 -0.57 0.00 0.00 43.02 42.05 1wdd s PHE 364 CO 0.67 -0.06 1.24 0.99 -0.10 0.00 0.00 175.22 177.97 1wdd s THR 365 N -1.04 3.27 -0.13 0.64 2.01 -1.26 -4.19 115.64 114.94 1wdd s THR 365 Ca -0.07 1.12 0.01 0.00 0.31 0.00 0.00 61.69 63.07 1wdd s THR 365 Cb -0.08 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1wdd s THR 365 CO 0.00 0.20 -0.17 -1.58 -0.69 0.00 0.00 174.62 172.39 1wdd s GLN 366 N -0.64 2.45 -0.21 4.92 2.00 -0.07 -4.86 119.66 123.26 1wdd s GLN 366 Ca 0.52 -0.63 -0.02 0.00 -2.00 0.00 0.00 55.36 53.23 1wdd s GLN 366 Cb -0.35 -2.11 0.01 0.00 0.80 0.00 0.00 33.01 31.35 1wdd s GLN 366 CO 0.41 -0.12 -0.11 0.34 -0.50 0.00 0.00 175.29 175.31 1wdd s ASP 367 N 1.13 3.84 0.00 6.67 -1.08 -1.26 -0.91 116.67 125.07 1wdd s ASP 367 Ca -0.02 -0.53 0.25 0.00 -0.52 0.00 0.00 52.55 51.73 1wdd s ASP 367 Cb -0.14 -1.63 0.63 0.00 -1.46 0.00 0.00 42.92 40.32 1wdd s ASP 367 CO -0.05 -0.02 1.51 0.79 0.52 0.00 0.00 175.17 177.91 1wdd n TRP 368 N 4.72 0.06 -3.94 -5.34 7.02 0.60 -4.41 117.44 116.15 1wdd n TRP 368 Ca -0.19 -0.03 -0.31 0.00 -1.02 0.00 0.00 57.50 55.95 1wdd n TRP 368 Cb 0.50 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.38 1wdd n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1wdd n VAL 369 N 0.76 -1.52 -0.98 -0.99 0.24 -1.26 -1.10 118.33 113.47 1wdd n VAL 369 Ca 0.17 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1wdd n VAL 369 Cb 0.47 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 1wdd n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wdd n SER 370 N -1.53 -3.72 -4.70 -1.34 7.64 -1.26 -5.00 113.62 103.71 1wdd n SER 370 Ca -0.13 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.32 1wdd n SER 370 Cb 0.44 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 1wdd n SER 370 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1wdd n MET 371 N -1.57 2.31 -1.67 1.43 0.00 -0.26 -4.90 117.12 112.45 1wdd n MET 371 Ca 0.00 0.82 -0.37 0.00 0.00 0.00 0.00 57.70 58.15 1wdd n MET 371 Cb 0.17 -2.51 0.07 0.00 0.00 0.00 0.00 33.22 30.94 1wdd n MET 371 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1wdd n PRO 372 N 1.85 1.01 -2.11 2.12 -0.02 -1.26 -4.92 135.00 131.67 1wdd n PRO 372 Ca 0.09 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.68 1wdd n PRO 372 Cb 0.34 -2.44 0.02 0.00 -0.02 0.00 0.00 33.50 31.40 1wdd n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wdd s GLY 373 N -1.39 1.61 -0.10 -1.23 0.00 -1.26 -4.68 107.32 100.28 1wdd s GLY 373 Ca 0.81 -0.34 -0.00 0.00 0.00 0.00 0.00 44.72 45.18 1wdd s GLY 373 CO 0.42 -0.06 -0.08 0.14 0.00 0.00 0.00 173.10 173.52 1wdd s VAL 374 N -3.12 3.61 -0.16 1.40 1.01 -0.14 -1.97 120.40 121.03 1wdd s VAL 374 Ca 0.54 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1wdd s VAL 374 Cb -0.11 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1wdd s VAL 374 CO 0.50 0.56 1.13 -0.63 0.00 0.00 0.00 175.10 176.67 1wdd s ILE 375 N -0.36 4.50 0.36 2.22 1.01 -0.20 -4.24 121.20 124.49 1wdd s ILE 375 Ca 0.05 1.81 -0.26 0.00 0.00 0.00 0.00 60.65 62.25 1wdd s ILE 375 Cb -0.12 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1wdd s ILE 375 CO 0.02 -0.11 1.09 -2.16 0.00 0.00 0.00 174.94 173.78 1wdd s PRO 376 N 2.95 4.31 -0.17 2.79 0.04 -1.26 -1.43 135.00 142.23 1wdd s PRO 376 Ca 0.50 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1wdd s PRO 376 Cb -0.19 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1wdd s PRO 376 CO 0.13 -0.05 -0.17 0.08 0.04 0.00 0.00 177.00 177.03 1wdd s VAL 377 N -1.44 2.38 -0.25 -0.36 1.01 0.22 -1.40 120.40 120.56 1wdd s VAL 377 Ca 0.53 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1wdd s VAL 377 Cb -0.27 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1wdd s VAL 377 CO 0.34 0.52 0.12 0.00 0.00 0.00 0.00 175.10 176.09 1wdd s ALA 378 N 1.08 3.41 -0.15 5.51 0.00 0.54 -0.94 121.76 131.21 1wdd s ALA 378 Ca -0.00 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 1wdd s ALA 378 Cb -0.14 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.80 1wdd s ALA 378 CO -0.06 -0.33 0.51 0.45 0.00 0.00 0.00 175.76 176.33 1wdd s SER 379 N 1.33 -0.51 0.00 0.00 0.15 -1.26 -0.54 113.70 112.87 1wdd s SER 379 Ca 0.06 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1wdd s SER 379 Cb -0.15 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1wdd s SER 379 CO 0.06 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1wdd n GLY 380 N 2.29 2.51 2.20 9.45 0.00 -1.26 -4.59 105.19 115.79 1wdd n GLY 380 Ca -0.16 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 1wdd n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdd n GLY 381 N 0.00 0.66 3.78 -0.02 0.00 -1.26 -1.32 105.19 107.02 1wdd n GLY 381 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 1wdd n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wdd s ILE 382 N -2.33 4.29 0.34 -0.61 -4.36 -1.26 -4.11 121.20 113.16 1wdd s ILE 382 Ca 0.00 -1.28 -0.04 0.00 -0.26 0.00 0.00 60.65 59.07 1wdd s ILE 382 Cb 0.00 -3.23 0.00 0.00 1.25 0.00 0.00 42.46 40.48 1wdd s ILE 382 CO 0.00 -0.20 0.49 -1.38 0.24 0.00 0.00 174.94 174.09 1wdd s HIS 383 N -1.90 0.98 0.39 1.37 -3.43 -1.26 -4.27 115.29 107.18 1wdd s HIS 383 Ca 0.31 -1.24 0.16 0.00 -0.80 0.00 0.00 55.06 53.49 1wdd s HIS 383 Cb -0.09 -0.03 1.04 0.00 -1.43 0.00 0.00 32.58 32.07 1wdd s HIS 383 CO 0.23 -1.15 1.80 -0.39 -2.00 0.00 0.00 174.74 173.23 1wdd h VAL 384 N 2.11 0.61 0.00 -5.38 -1.51 -1.92 0.71 116.25 110.87 1wdd h VAL 384 Ca -0.28 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1wdd h VAL 384 Cb 1.24 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1wdd h VAL 384 CO 0.39 0.08 0.00 -0.50 -1.23 0.00 0.00 177.57 176.31 1wdd h TRP 385 N 0.46 0.00 -0.00 5.19 4.06 -1.94 -1.85 115.95 121.86 1wdd h TRP 385 Ca 0.54 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.49 1wdd h TRP 385 Cb 1.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.45 1wdd h TRP 385 CO -0.00 0.00 -0.17 0.72 -3.56 0.00 0.00 178.44 175.43 1wdd n HIS 386 N -2.65 0.00 -0.26 0.49 8.25 0.24 -4.32 115.22 116.96 1wdd n HIS 386 Ca 0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.49 1wdd n HIS 386 Cb 0.23 -0.38 0.15 0.00 1.12 0.00 0.00 29.99 31.10 1wdd n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1wdd h MET 387 N 0.05 0.65 -0.51 -0.41 -1.53 -1.38 -0.46 114.93 111.35 1wdd h MET 387 Ca 0.00 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.19 1wdd h MET 387 Cb 0.48 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.36 1wdd h MET 387 CO 0.00 0.43 0.19 -1.35 0.14 0.00 0.00 176.91 176.32 1wdd h PRO 388 N 0.67 0.77 -0.52 0.39 0.11 -1.81 -0.94 132.00 130.67 1wdd h PRO 388 Ca 0.37 -0.15 -0.05 0.00 0.11 0.00 0.00 66.00 66.28 1wdd h PRO 388 Cb 0.36 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1wdd h PRO 388 CO -0.26 0.70 0.14 0.00 -0.21 0.00 0.00 178.00 178.36 1wdd h ALA 389 N 1.04 0.68 -0.60 -0.75 0.00 -1.63 -0.65 119.26 117.35 1wdd h ALA 389 Ca 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1wdd h ALA 389 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1wdd h ALA 389 CO -0.01 0.37 0.21 -0.07 0.00 0.00 0.00 179.25 179.75 1wdd h LEU 390 N 0.72 0.85 -0.96 0.00 3.38 -0.94 0.49 115.31 118.85 1wdd h LEU 390 Ca 0.16 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1wdd h LEU 390 Cb 0.32 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1wdd h LEU 390 CO -0.00 0.82 0.11 0.74 0.09 0.00 0.00 178.44 180.20 1wdd h THR 391 N 0.84 1.24 -0.28 0.22 2.02 -0.87 -1.17 112.91 114.91 1wdd h THR 391 Ca 0.20 -0.88 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 1wdd h THR 391 Cb 0.26 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1wdd h THR 391 CO -0.01 0.33 -0.34 -0.08 0.37 0.00 0.00 175.52 175.79 1wdd h GLU 392 N 0.84 0.72 -0.10 6.66 4.22 -0.79 0.09 114.58 126.22 1wdd h GLU 392 Ca 0.18 -0.40 -0.04 0.00 0.08 0.00 0.00 59.36 59.17 1wdd h GLU 392 Cb 0.34 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1wdd h GLU 392 CO 0.00 1.02 -0.09 0.82 -2.18 0.00 0.00 179.01 178.59 1wdd h ILE 393 N 0.46 1.35 0.00 2.32 2.04 -0.72 -3.37 117.51 119.60 1wdd h ILE 393 Ca 0.04 -1.22 -0.30 0.00 1.00 0.00 0.00 64.86 64.38 1wdd h ILE 393 Cb 0.92 1.93 -0.06 0.00 -0.74 0.00 0.00 36.82 38.88 1wdd h ILE 393 CO 0.08 0.35 -2.10 0.49 0.00 0.00 0.00 178.15 176.96 1wdd n PHE 394 N -4.66 0.32 -2.81 1.37 3.72 -0.46 -5.02 117.46 109.92 1wdd n PHE 394 Ca -0.07 0.11 0.01 0.00 -0.05 0.00 0.00 57.45 57.45 1wdd n PHE 394 Cb 0.32 -1.00 -0.00 0.00 -0.94 0.00 0.00 39.48 37.85 1wdd n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wdd n GLY 395 N 1.63 -2.05 0.20 1.37 0.00 0.02 -4.26 105.19 102.08 1wdd n GLY 395 Ca -0.24 -1.42 0.02 0.00 0.00 0.00 0.00 46.02 44.38 1wdd n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wdd h ASP 396 N -0.05 0.04 -1.79 1.61 3.32 -1.89 -3.37 116.42 114.29 1wdd h ASP 396 Ca 0.00 -0.01 -0.73 0.00 0.02 0.00 0.00 57.03 56.30 1wdd h ASP 396 Cb 0.05 -0.01 -0.16 0.00 0.22 0.00 0.00 39.33 39.43 1wdd h ASP 396 CO 0.00 0.37 1.65 0.47 -1.72 0.00 0.00 179.24 180.01 1wdd n ASP 397 N -4.14 5.12 -3.45 6.45 8.00 -1.26 -3.07 116.55 124.20 1wdd n ASP 397 Ca -0.02 -2.99 -0.11 0.00 0.71 0.00 0.00 54.79 52.37 1wdd n ASP 397 Cb 0.38 -1.58 -0.02 0.00 -0.02 0.00 0.00 41.12 39.88 1wdd n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wdd s SER 398 N 2.59 -0.54 -0.13 -2.24 1.04 -1.26 -4.21 113.70 108.95 1wdd s SER 398 Ca 0.44 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1wdd s SER 398 Cb 0.01 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 1wdd s SER 398 CO 0.01 -0.98 -0.15 -0.69 0.98 0.00 0.00 173.24 172.41 1wdd s VAL 399 N -3.73 2.88 -0.23 5.02 1.01 -0.49 -1.02 120.40 123.84 1wdd s VAL 399 Ca 0.02 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1wdd s VAL 399 Cb -0.01 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1wdd s VAL 399 CO -0.11 0.53 0.04 -0.76 0.00 0.00 0.00 175.10 174.79 1wdd s LEU 400 N 0.42 3.40 -0.11 3.92 1.43 0.39 -0.34 118.68 127.78 1wdd s LEU 400 Ca -0.11 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1wdd s LEU 400 Cb -0.16 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1wdd s LEU 400 CO 0.05 0.02 -0.14 -1.10 0.23 0.00 0.00 176.35 175.41 1wdd s GLN 401 N 1.28 3.20 -0.33 1.70 -0.21 0.29 -1.20 119.66 124.38 1wdd s GLN 401 Ca 0.04 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.74 1wdd s GLN 401 Cb -0.15 -2.56 0.10 0.00 1.00 0.00 0.00 33.01 31.41 1wdd s GLN 401 CO 0.02 0.29 0.09 -0.06 -2.12 0.00 0.00 175.29 173.51 1wdd s PHE 402 N 0.15 2.66 0.00 0.91 0.40 -0.16 -4.17 117.98 117.78 1wdd s PHE 402 Ca -0.08 -2.36 0.00 0.00 -0.60 0.00 0.00 56.93 53.89 1wdd s PHE 402 Cb -0.15 -2.28 0.00 0.00 0.51 0.00 0.00 43.02 41.10 1wdd s PHE 402 CO 0.05 -0.90 0.00 0.41 0.70 0.00 0.00 175.22 175.48 1wdd n GLY 403 N 4.48 0.99 0.40 4.36 0.00 -1.26 -3.23 105.19 110.93 1wdd n GLY 403 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.22 1wdd n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wdd h GLY 404 N 0.00 0.94 1.80 -0.02 0.00 -1.92 0.62 103.07 104.49 1wdd h GLY 404 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1wdd h GLY 404 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1wdd n GLY 405 N -1.50 -0.97 0.67 4.60 0.00 -1.26 -0.36 105.19 106.37 1wdd n GLY 405 Ca 0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1wdd n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wdd n THR 406 N -1.40 0.94 0.95 2.61 -1.04 -0.29 -4.64 114.28 111.41 1wdd n THR 406 Ca 0.06 0.06 0.10 0.00 -2.04 0.00 0.00 64.05 62.23 1wdd n THR 406 Cb 0.17 -1.76 0.51 0.00 -1.82 0.00 0.00 70.33 67.43 1wdd n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wdd n LEU 407 N -3.67 0.00 -1.06 -4.42 4.32 0.06 -1.85 117.00 110.38 1wdd n LEU 407 Ca -0.14 0.30 0.12 0.00 -0.02 0.00 0.00 56.01 56.27 1wdd n LEU 407 Cb 0.45 -0.30 0.19 0.00 -1.62 0.00 0.00 43.42 42.13 1wdd n LEU 407 CO 0.04 -0.10 0.68 0.61 -1.22 0.00 0.00 177.39 177.41 1wdd n GLY 408 N 0.47 1.39 3.77 -0.72 0.00 0.52 -4.86 105.19 105.76 1wdd n GLY 408 Ca 0.09 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 1wdd n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wdd s HIS 409 N -1.70 2.84 0.12 1.61 5.04 -0.77 -4.88 115.29 117.56 1wdd s HIS 409 Ca 0.35 1.38 0.32 0.00 -1.54 0.00 0.00 55.06 55.57 1wdd s HIS 409 Cb 0.22 -3.72 1.64 0.00 0.04 0.00 0.00 32.58 30.75 1wdd s HIS 409 CO 0.31 -2.15 1.98 -1.00 -2.34 0.00 0.00 174.74 171.54 1wdd h PRO 410 N 2.90 0.00 -0.22 2.88 0.13 -1.91 -1.96 132.00 133.82 1wdd h PRO 410 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1wdd h PRO 410 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wdd h PRO 410 CO 0.63 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.31 1wdd n TRP 411 N -2.69 0.28 0.00 1.56 8.01 -1.26 -5.09 117.44 118.25 1wdd n TRP 411 Ca -0.01 -0.19 0.00 0.00 -1.31 0.00 0.00 57.50 55.99 1wdd n TRP 411 Cb 0.12 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 1wdd n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1wdd n GLY 412 N 1.05 -2.34 0.20 6.99 0.00 -0.74 -4.65 105.19 105.70 1wdd n GLY 412 Ca 0.13 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 1wdd n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wdd h ASN 413 N 0.00 0.66 -0.20 1.61 4.21 -1.87 -0.94 115.58 119.04 1wdd h ASN 413 Ca 0.00 -0.38 -0.03 0.00 1.21 0.00 0.00 56.30 57.09 1wdd h ASN 413 Cb 0.00 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 1wdd h ASN 413 CO 0.00 0.89 -0.00 0.00 -1.29 0.00 0.00 177.43 177.03 1wdd h ALA 414 N 0.79 0.28 -0.50 -0.83 0.00 -1.84 0.28 119.26 117.43 1wdd h ALA 414 Ca 0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1wdd h ALA 414 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1wdd h ALA 414 CO 0.04 0.00 0.11 -1.35 0.00 0.00 0.00 179.25 178.05 1wdd h PRO 415 N 0.12 0.76 -0.61 0.00 0.11 -1.82 -0.97 132.00 129.59 1wdd h PRO 415 Ca 0.06 -0.15 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 1wdd h PRO 415 Cb 0.41 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 1wdd h PRO 415 CO 0.01 0.70 0.13 0.78 -0.21 0.00 0.00 178.00 179.41 1wdd h GLY 416 N 0.93 1.04 1.09 -0.55 0.00 -0.81 0.26 103.07 105.03 1wdd h GLY 416 Ca 0.16 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 1wdd h GLY 416 CO -0.00 0.60 -0.20 0.00 0.00 0.00 0.00 176.54 176.94 1wdd h ALA 417 N 1.21 0.66 -0.61 3.60 0.00 -0.65 -2.09 119.26 121.38 1wdd h ALA 417 Ca 0.19 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1wdd h ALA 417 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1wdd h ALA 417 CO 0.00 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.96 1wdd h ALA 418 N 0.86 1.00 -0.54 0.00 0.00 -0.72 0.37 119.26 120.23 1wdd h ALA 418 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1wdd h ALA 418 Cb 0.77 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1wdd h ALA 418 CO 0.06 0.63 0.34 0.00 0.00 0.00 0.00 179.25 180.29 1wdd h ALA 419 N 1.15 0.69 -0.47 0.00 0.00 -0.77 0.16 119.26 120.01 1wdd h ALA 419 Ca 0.19 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1wdd h ALA 419 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wdd h ALA 419 CO 0.01 0.09 -0.21 -0.91 0.00 0.00 0.00 179.25 178.23 1wdd h ASN 420 N 0.70 0.99 -0.57 0.00 2.35 -0.81 -0.14 115.58 118.10 1wdd h ASN 420 Ca 0.20 -0.37 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 1wdd h ASN 420 Cb -0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 1wdd h ASN 420 CO -0.06 1.16 0.01 -0.09 -1.65 0.00 0.00 177.43 176.80 1wdd h ARG 421 N 0.84 1.02 -0.27 0.81 9.65 -0.66 -1.00 114.38 124.78 1wdd h ARG 421 Ca 0.11 -0.31 -0.07 0.00 -1.10 0.00 0.00 59.98 58.61 1wdd h ARG 421 Cb 0.79 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1wdd h ARG 421 CO 0.07 0.99 -0.09 0.28 2.80 0.00 0.00 179.97 184.02 1wdd h VAL 422 N 0.94 1.29 -0.40 0.20 2.07 -0.61 -0.59 116.25 119.15 1wdd h VAL 422 Ca 0.17 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1wdd h VAL 422 Cb 0.53 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1wdd h VAL 422 CO 0.03 0.36 0.19 0.00 0.02 0.00 0.00 177.57 178.17 1wdd h ALA 423 N 0.76 0.49 -0.37 1.67 0.00 -0.83 -0.27 119.26 120.71 1wdd h ALA 423 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wdd h ALA 423 Cb 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1wdd h ALA 423 CO 0.03 -0.17 0.18 1.25 0.00 0.00 0.00 179.25 180.54 1wdd h LEU 424 N 0.39 0.48 -1.17 0.00 5.85 -1.05 -1.57 115.31 118.25 1wdd h LEU 424 Ca 0.17 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1wdd h LEU 424 Cb 0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1wdd h LEU 424 CO -0.13 0.47 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.70 1wdd h GLU 425 N 0.47 0.00 -0.47 1.25 5.08 -0.80 0.13 114.58 120.23 1wdd h GLU 425 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1wdd h GLU 425 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wdd h GLU 425 CO -0.02 0.41 -0.18 0.00 -1.00 0.00 0.00 179.01 178.22 1wdd h ALA 426 N 1.59 0.78 -0.42 3.43 0.00 -0.84 -0.31 119.26 123.49 1wdd h ALA 426 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1wdd h ALA 426 Cb 0.74 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1wdd h ALA 426 CO 0.05 0.66 0.08 0.00 0.00 0.00 0.00 179.25 180.05 1wdd h VAL 428 N 0.55 1.15 -0.44 0.00 2.07 -0.80 0.68 116.25 119.46 1wdd h VAL 428 Ca 0.13 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1wdd h VAL 428 Cb 0.35 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1wdd h VAL 428 CO 0.01 0.15 0.27 -0.61 0.02 0.00 0.00 177.57 177.40 1wdd h GLN 429 N 0.34 0.52 -0.44 1.57 4.15 -1.01 -0.88 115.11 119.37 1wdd h GLN 429 Ca 0.10 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1wdd h GLN 429 Cb 0.11 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1wdd h GLN 429 CO -0.01 0.35 0.20 0.00 -1.93 0.00 0.00 178.83 177.43 1wdd h ALA 430 N 1.19 0.57 -0.49 3.38 0.00 -1.06 -1.24 119.26 121.61 1wdd h ALA 430 Ca 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wdd h ALA 430 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1wdd h ALA 430 CO -0.07 0.14 0.29 -0.09 0.00 0.00 0.00 179.25 179.52 1wdd h ARG 431 N 0.57 0.56 -0.36 0.00 2.43 -0.60 -0.60 114.38 116.37 1wdd h ARG 431 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1wdd h ARG 431 Cb 0.14 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1wdd h ARG 431 CO -0.02 0.37 0.09 -0.91 -1.51 0.00 0.00 179.97 177.99 1wdd h ASN 432 N 0.58 0.49 0.70 -3.80 4.21 -0.84 -1.18 115.58 115.74 1wdd h ASN 432 Ca 0.20 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1wdd h ASN 432 Cb 0.03 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.10 1wdd h ASN 432 CO -0.09 0.49 0.00 -0.62 -1.29 0.00 0.00 177.43 175.92 1wdd n GLU 433 N -4.34 0.13 0.00 0.81 1.02 -0.50 -4.89 120.64 112.88 1wdd n GLU 433 Ca 0.02 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1wdd n GLU 433 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1wdd n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wdd n GLY 434 N 0.94 0.94 3.79 0.62 0.00 -0.44 -5.09 105.19 105.95 1wdd n GLY 434 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1wdd n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wdd s ARG 435 N -0.54 3.08 -0.46 1.61 0.52 -0.29 -4.99 118.95 117.88 1wdd s ARG 435 Ca 0.00 1.23 -0.17 0.00 -0.52 0.00 0.00 55.73 56.28 1wdd s ARG 435 Cb 0.00 -2.00 0.05 0.00 0.52 0.00 0.00 34.95 33.52 1wdd s ARG 435 CO 0.00 -1.00 0.44 0.34 0.02 0.00 0.00 175.30 175.10 1wdd s ASP 436 N -2.85 6.17 0.40 0.23 -1.08 -1.26 -4.49 116.67 113.79 1wdd s ASP 436 Ca 0.64 -1.05 0.08 0.00 -0.52 0.00 0.00 52.55 51.69 1wdd s ASP 436 Cb -0.17 -2.21 0.81 0.00 -1.46 0.00 0.00 42.92 39.89 1wdd s ASP 436 CO 0.41 -0.66 1.99 -0.07 0.52 0.00 0.00 175.17 177.36 1wdd h LEU 437 N 9.00 0.39 -1.31 -1.34 3.38 -1.93 0.11 115.31 123.61 1wdd h LEU 437 Ca -0.28 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1wdd h LEU 437 Cb 1.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1wdd h LEU 437 CO 0.86 0.38 -0.32 0.00 0.09 0.00 0.00 178.44 179.45 1wdd h ALA 438 N 1.68 1.43 0.00 1.53 0.00 -1.91 -1.76 119.26 120.23 1wdd h ALA 438 Ca 0.11 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 1wdd h ALA 438 Cb 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1wdd h ALA 438 CO -0.01 0.42 -2.07 0.54 0.00 0.00 0.00 179.25 178.14 1wdd n ARG 439 N -4.15 1.15 -0.13 0.00 1.74 -0.94 -4.61 116.66 109.73 1wdd n ARG 439 Ca -0.02 -0.04 0.07 0.00 -0.77 0.00 0.00 57.85 57.09 1wdd n ARG 439 Cb 0.37 -1.42 0.13 0.00 -1.02 0.00 0.00 32.46 30.52 1wdd n ARG 439 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1wdd n GLU 440 N -2.51 2.09 -0.22 5.56 1.02 0.33 -4.75 120.64 122.15 1wdd n GLU 440 Ca -0.22 -1.82 -0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1wdd n GLU 440 Cb 0.92 -1.29 0.11 0.00 -0.02 0.00 0.00 31.44 31.16 1wdd n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wdd h GLY 441 N 2.46 0.96 1.01 0.62 0.00 -1.47 -0.17 103.07 106.48 1wdd h GLY 441 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1wdd h GLY 441 CO 0.00 0.08 0.36 3.43 0.00 0.00 0.00 176.54 180.40 1wdd h ASN 442 N 0.57 0.89 -0.38 0.19 -0.26 -1.86 -1.15 115.58 113.59 1wdd h ASN 442 Ca 0.31 -0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.87 1wdd h ASN 442 Cb 0.29 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1wdd h ASN 442 CO -0.24 0.75 -0.01 -0.33 -1.06 0.00 0.00 177.43 176.54 1wdd h GLU 443 N 0.96 0.77 -0.60 0.81 5.08 -1.72 -0.83 114.58 119.05 1wdd h GLU 443 Ca 0.24 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1wdd h GLU 443 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1wdd h GLU 443 CO -0.03 0.79 0.05 0.82 -1.00 0.00 0.00 179.01 179.63 1wdd h ILE 444 N 0.72 1.26 -0.36 3.13 2.04 -0.47 -0.14 117.51 123.68 1wdd h ILE 444 Ca 0.14 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 1wdd h ILE 444 Cb 0.46 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1wdd h ILE 444 CO 0.02 0.39 -0.12 0.40 0.00 0.00 0.00 178.15 178.85 1wdd h ILE 445 N 0.93 1.28 -0.34 -0.67 1.08 -1.04 -2.27 117.51 116.48 1wdd h ILE 445 Ca 0.18 -1.21 -0.05 0.00 -0.39 0.00 0.00 64.86 63.39 1wdd h ILE 445 Cb 0.49 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 1wdd h ILE 445 CO 0.02 0.40 0.00 0.03 -0.69 0.00 0.00 178.15 177.92 1wdd h ARG 446 N 0.52 0.52 -0.32 2.37 3.08 -0.91 -1.68 114.38 117.95 1wdd h ARG 446 Ca 0.09 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1wdd h ARG 446 Cb 0.64 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1wdd h ARG 446 CO 0.04 0.54 -0.23 0.77 -1.07 0.00 0.00 179.97 180.02 1wdd h SER 447 N 0.50 0.63 0.89 7.04 0.02 -0.78 -2.55 113.55 119.30 1wdd h SER 447 Ca 0.11 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 1wdd h SER 447 Cb 0.32 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1wdd h SER 447 CO 0.01 0.85 -0.30 0.00 -1.14 0.00 0.00 176.83 176.25 1wdd h ALA 448 N 1.20 1.01 0.00 3.77 0.00 -0.77 -1.91 119.26 122.54 1wdd h ALA 448 Ca 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wdd h ALA 448 Cb 0.69 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wdd h ALA 448 CO 0.05 0.38 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 1wdd h LYS 450 N 0.00 0.00 0.00 0.00 1.57 -1.33 -3.14 116.57 113.67 1wdd h LYS 450 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wdd h LYS 450 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1wdd h LYS 450 CO 0.00 0.12 0.00 -2.67 -0.57 0.00 0.00 179.45 176.33 1wdd n TRP 451 N -3.42 0.00 -3.95 -1.35 4.27 -0.85 -4.95 117.44 107.18 1wdd n TRP 451 Ca -0.01 -0.02 -0.31 0.00 -3.89 0.00 0.00 57.50 53.27 1wdd n TRP 451 Cb 0.29 -0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.09 1wdd n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1wdd s SER 452 N -0.04 4.53 0.39 -0.67 0.15 -0.55 -4.97 113.70 112.54 1wdd s SER 452 Ca 0.00 -1.94 0.08 0.00 0.70 0.00 0.00 55.95 54.79 1wdd s SER 452 Cb 0.00 -1.42 0.79 0.00 -1.71 0.00 0.00 66.02 63.67 1wdd s SER 452 CO 0.00 -0.37 1.97 -0.65 1.20 0.00 0.00 173.24 175.39 1wdd h PRO 453 N 7.75 0.41 -0.29 5.44 0.11 -1.89 -0.93 132.00 142.60 1wdd h PRO 453 Ca -0.08 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1wdd h PRO 453 Cb 1.02 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1wdd h PRO 453 CO 0.50 0.40 0.14 0.93 -0.21 0.00 0.00 178.00 179.76 1wdd h GLU 454 N 0.40 0.41 -0.62 1.05 3.07 -1.93 -0.67 114.58 116.29 1wdd h GLU 454 Ca 0.10 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 1wdd h GLU 454 Cb 0.19 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1wdd h GLU 454 CO -0.00 0.38 0.04 1.25 -1.40 0.00 0.00 179.01 179.28 1wdd h LEU 455 N 0.33 1.04 -0.94 1.33 5.85 -1.75 -2.33 115.31 118.84 1wdd h LEU 455 Ca 0.10 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1wdd h LEU 455 Cb 0.10 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1wdd h LEU 455 CO -0.01 1.07 0.62 0.00 -0.34 0.00 0.00 178.44 179.77 1wdd h ALA 456 N 1.01 1.21 -0.66 1.25 0.00 -0.82 0.14 119.26 121.38 1wdd h ALA 456 Ca 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1wdd h ALA 456 Cb 0.51 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1wdd h ALA 456 CO 0.02 0.55 0.24 0.00 0.00 0.00 0.00 179.25 180.07 1wdd h ALA 457 N 1.36 0.86 -0.57 0.00 0.00 -0.99 -1.48 119.26 118.44 1wdd h ALA 457 Ca 0.35 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1wdd h ALA 457 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1wdd h ALA 457 CO -0.09 0.50 0.02 0.00 0.00 0.00 0.00 179.25 179.69 1wdd h ALA 458 N 1.10 0.76 -0.60 0.00 0.00 -0.86 -2.79 119.26 116.87 1wdd h ALA 458 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wdd h ALA 458 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1wdd h ALA 458 CO -0.01 0.57 0.27 0.00 0.00 0.00 0.00 179.25 180.08 1wdd h GLU 460 N 0.85 0.95 -0.21 0.00 4.57 -1.17 -1.14 114.58 118.42 1wdd h GLU 460 Ca 0.21 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 57.90 1wdd h GLU 460 Cb 0.11 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1wdd h GLU 460 CO -0.03 1.01 -0.47 0.82 -1.18 0.00 0.00 179.01 179.16 1wdd h ILE 461 N 0.84 1.31 -0.28 2.32 1.08 -1.18 -3.33 117.51 118.27 1wdd h ILE 461 Ca 0.13 -1.68 0.00 0.00 -0.39 0.00 0.00 64.86 62.92 1wdd h ILE 461 Cb 0.66 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1wdd h ILE 461 CO 0.05 0.53 0.00 0.79 -0.69 0.00 0.00 178.15 178.82 1wdd n TRP 462 N -3.99 0.37 0.05 1.37 8.01 -0.94 -4.64 117.44 117.66 1wdd n TRP 462 Ca -0.02 -0.35 0.16 0.00 -1.31 0.00 0.00 57.50 55.98 1wdd n TRP 462 Cb 0.56 -0.02 0.64 0.00 -2.01 0.00 0.00 31.31 30.48 1wdd n TRP 462 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 1wdd h LYS 463 N 2.38 0.07 -0.62 -0.99 2.10 -1.32 -1.78 116.57 116.41 1wdd h LYS 463 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1wdd h LYS 463 Cb 0.69 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1wdd h LYS 463 CO 0.00 0.05 0.00 0.00 -2.00 0.00 0.00 179.45 177.50 1wdd n ALA 464 N -2.59 2.70 -2.56 0.07 0.00 -1.26 -4.90 120.51 111.96 1wdd n ALA 464 Ca 0.07 -1.19 -0.40 0.00 0.00 0.00 0.00 53.44 51.92 1wdd n ALA 464 Cb 0.43 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.79 1wdd n ALA 464 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wdd s ILE 465 N -1.49 5.25 0.02 0.00 -1.09 -0.67 -5.03 121.20 118.19 1wdd s ILE 465 Ca 0.42 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.89 1wdd s ILE 465 Cb 0.24 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1wdd s ILE 465 CO 0.24 0.06 -0.00 -0.54 -1.23 0.00 0.00 174.94 173.47 1wdd s LYS 466 N 1.86 0.38 -0.41 2.79 1.02 -1.26 -5.06 119.74 119.06 1wdd s LYS 466 Ca 0.09 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.43 1wdd s LYS 466 Cb -0.17 0.14 0.11 0.00 -0.52 0.00 0.00 37.83 37.40 1wdd s LYS 466 CO 0.11 -0.07 0.15 -0.06 -0.92 0.00 0.00 175.35 174.56 1wdd s PHE 467 N -1.80 3.60 -0.30 3.18 0.08 -1.26 -5.04 117.98 116.43 1wdd s PHE 467 Ca -0.13 -2.87 0.03 0.00 0.12 0.00 0.00 56.93 54.08 1wdd s PHE 467 Cb -0.07 -3.01 0.08 0.00 -0.57 0.00 0.00 43.02 39.46 1wdd s PHE 467 CO -0.02 -0.91 -0.00 -1.21 -0.10 0.00 0.00 175.22 172.97 1wdd s GLU 468 N 0.68 1.65 0.03 0.44 2.02 -1.26 -4.82 118.70 117.44 1wdd s GLU 468 Ca 0.12 -1.56 0.01 0.00 0.02 0.00 0.00 54.97 53.56 1wdd s GLU 468 Cb -0.21 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 1wdd s GLU 468 CO -0.05 -0.80 -0.04 -0.06 0.02 0.00 0.00 175.26 174.33 1wdd s PHE 469 N 1.07 0.38 0.13 1.61 0.08 -1.26 -5.13 117.98 114.87 1wdd s PHE 469 Ca 0.03 -0.50 -0.31 0.00 0.12 0.00 0.00 56.93 56.27 1wdd s PHE 469 Cb -0.19 -0.25 -0.08 0.00 -0.57 0.00 0.00 43.02 41.93 1wdd s PHE 469 CO -0.08 -0.15 1.30 -1.21 -0.10 0.00 0.00 175.22 174.97 1wdd s GLU 470 N -1.44 4.39 0.58 0.44 2.02 -1.26 -4.98 118.70 118.44 1wdd s GLU 470 Ca -0.13 1.96 -0.18 0.00 0.02 0.00 0.00 54.97 56.64 1wdd s GLU 470 Cb -0.10 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1wdd s GLU 470 CO -0.01 -0.30 1.10 -1.25 0.02 0.00 0.00 175.26 174.82 1wdd s PRO 471 N 0.63 3.25 0.12 0.39 0.04 -1.26 -4.94 135.00 133.24 1wdd s PRO 471 Ca 0.60 1.44 0.04 0.00 0.04 0.00 0.00 61.00 63.12 1wdd s PRO 471 Cb -0.34 -2.01 -0.18 0.00 0.04 0.00 0.00 34.50 32.01 1wdd s PRO 471 CO 0.33 -0.90 1.28 0.28 0.04 0.00 0.00 177.00 178.03 1wdd h VAL 472 N 0.78 1.64 -3.47 -0.36 2.07 -1.94 -3.43 116.25 111.54 1wdd h VAL 472 Ca -0.48 -3.21 -0.65 0.00 0.82 0.00 0.00 66.70 63.18 1wdd h VAL 472 Cb 1.24 2.80 -0.25 0.00 -1.52 0.00 0.00 31.29 33.56 1wdd h VAL 472 CO 0.56 0.92 -0.68 -0.62 0.02 0.00 0.00 177.57 177.78 1wdd s ASP 473 N -6.83 4.69 0.13 0.57 2.15 -1.26 -4.59 116.67 111.53 1wdd s ASP 473 Ca -0.01 -0.28 0.08 0.00 0.43 0.00 0.00 52.55 52.77 1wdd s ASP 473 Cb 0.10 -1.81 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 1wdd s ASP 473 CO 0.83 0.01 -0.18 -0.54 -0.17 0.00 0.00 175.17 175.12 1wdd s LYS 474 N 1.34 1.13 0.00 4.34 1.02 -1.26 -4.79 119.74 121.52 1wdd s LYS 474 Ca 0.04 -1.25 0.27 0.00 0.02 0.00 0.00 55.97 55.05 1wdd s LYS 474 Cb -0.15 -1.22 1.60 0.00 -0.52 0.00 0.00 37.83 37.54 1wdd s LYS 474 CO 0.00 0.26 1.95 1.28 -0.92 0.00 0.00 175.35 177.92