#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aet s LYS 2 N 0.00 2.86 -0.08 0.03 2.20 -1.26 -5.09 119.74 118.40 3aet s LYS 2 Ca 0.00 -0.78 -0.35 0.00 -0.36 0.00 0.00 55.97 54.48 3aet s LYS 2 Cb 0.00 -2.48 -0.13 0.00 -1.51 0.00 0.00 37.83 33.71 3aet s LYS 2 CO 0.00 -0.21 1.78 -0.11 -0.36 0.00 0.00 175.35 176.45 3aet n LEU 3 N 4.63 3.08 -3.69 5.43 -0.00 -1.26 -4.96 117.00 120.24 3aet n LEU 3 Ca -0.20 1.02 -0.25 0.00 -0.00 0.00 0.00 56.01 56.58 3aet n LEU 3 Cb 0.50 -1.32 -0.17 0.00 -0.00 0.00 0.00 43.42 42.42 3aet n LEU 3 CO 0.25 -0.22 -0.35 -0.89 -0.00 0.00 0.00 177.39 176.18 3aet s THR 4 N 3.26 0.17 0.00 1.96 2.01 -1.26 -5.04 115.64 116.74 3aet s THR 4 Ca 0.91 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.81 3aet s THR 4 Cb -0.78 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.12 3aet s THR 4 CO 0.52 -0.07 0.00 -0.11 -0.69 0.00 0.00 174.62 174.27 3aet n LEU 5 N 5.19 1.21 -4.76 4.42 7.94 -1.26 -4.96 117.00 124.79 3aet n LEU 5 Ca -0.07 0.01 -0.39 0.00 -1.11 0.00 0.00 56.01 54.45 3aet n LEU 5 Cb 0.49 -0.02 -0.06 0.00 0.53 0.00 0.00 43.42 44.36 3aet n LEU 5 CO 0.10 -0.02 0.65 0.86 -1.11 0.00 0.00 177.39 177.88 3aet s TRP 6 N -0.03 3.91 -0.03 1.96 -0.11 -1.26 -5.08 118.94 118.31 3aet s TRP 6 Ca 0.00 1.88 0.06 0.00 1.22 0.00 0.00 56.10 59.27 3aet s TRP 6 Cb 0.00 -2.96 -0.01 0.00 -1.50 0.00 0.00 33.47 28.99 3aet s TRP 6 CO 0.00 0.40 -0.22 -0.08 -4.62 0.00 0.00 176.95 172.42 3aet s THR 7 N -1.29 1.79 0.08 5.86 -1.32 -1.26 -4.85 115.64 114.65 3aet s THR 7 Ca 0.43 -0.95 0.12 0.00 -1.21 0.00 0.00 61.69 60.08 3aet s THR 7 Cb -0.24 -1.50 -0.04 0.00 -1.51 0.00 0.00 72.50 69.21 3aet s THR 7 CO 0.30 0.51 1.47 1.88 -2.21 0.00 0.00 174.62 176.56 3aet h TYR 8 N 5.75 0.00 -4.02 9.09 -1.99 -1.98 -3.46 116.97 120.36 3aet h TYR 8 Ca -0.38 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 59.84 3aet h TYR 8 Cb 1.15 0.00 -0.24 0.00 2.00 0.00 0.00 36.73 39.64 3aet h TYR 8 CO 0.40 0.69 -0.81 -1.21 -0.00 0.00 0.00 178.16 177.23 3aet s GLU 9 N -3.10 1.10 1.10 4.88 2.02 -1.26 -4.47 118.70 118.97 3aet s GLU 9 Ca 0.01 -0.97 -0.18 0.00 0.02 0.00 0.00 54.97 53.85 3aet s GLU 9 Cb 0.10 -1.22 0.25 0.00 0.10 0.00 0.00 34.13 33.36 3aet s GLU 9 CO 0.77 0.29 1.21 0.20 0.02 0.00 0.00 175.26 177.75 3aet s GLY 10 N -1.49 1.68 0.51 -1.39 0.00 -1.26 -4.79 107.32 100.58 3aet s GLY 10 Ca 0.04 -1.09 -0.20 0.00 0.00 0.00 0.00 44.72 43.47 3aet s GLY 10 CO 0.03 -0.25 1.08 2.56 0.00 0.00 0.00 173.10 176.52 3aet s PRO 11 N -5.65 3.59 0.55 2.90 0.04 -1.26 -0.44 135.00 134.73 3aet s PRO 11 Ca 0.73 1.46 0.40 0.00 0.04 0.00 0.00 61.00 63.63 3aet s PRO 11 Cb -0.07 -2.05 1.59 0.00 0.04 0.00 0.00 34.50 34.01 3aet s PRO 11 CO 0.55 -0.62 1.74 -1.35 0.04 0.00 0.00 177.00 177.35 3aet h PRO 12 N 1.36 0.00 0.00 0.56 0.11 -1.78 0.02 132.00 132.27 3aet h PRO 12 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3aet h PRO 12 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3aet h PRO 12 CO 0.58 0.00 -0.13 1.12 -0.21 0.00 0.00 178.00 179.36 3aet h HIS 13 N 0.00 0.00 -0.28 0.65 2.07 -1.90 0.02 115.15 115.72 3aet h HIS 13 Ca 0.66 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 58.07 3aet h HIS 13 Cb 2.67 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 32.64 3aet h HIS 13 CO 0.00 0.13 -0.25 0.28 -3.07 0.00 0.00 177.93 175.02 3aet h VAL 14 N 0.00 1.30 -0.58 6.12 2.07 -1.34 0.23 116.25 124.05 3aet h VAL 14 Ca -0.00 -1.40 0.08 0.00 0.82 0.00 0.00 66.70 66.20 3aet h VAL 14 Cb 0.40 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 3aet h VAL 14 CO 0.02 0.45 0.22 1.23 0.02 0.00 0.00 177.57 179.50 3aet h GLY 15 N 0.39 0.80 0.70 2.17 0.00 -1.28 0.79 103.07 106.63 3aet h GLY 15 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3aet h GLY 15 CO 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.22 3aet h ALA 16 N 1.39 -0.89 -1.10 3.60 0.00 -0.86 -1.97 119.26 119.41 3aet h ALA 16 Ca 0.28 -0.16 0.31 0.00 0.00 0.00 0.00 54.91 55.35 3aet h ALA 16 Cb 0.32 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 3aet h ALA 16 CO -0.28 -1.03 0.70 0.52 0.00 0.00 0.00 179.25 179.16 3aet h MET 17 N -0.86 0.31 -0.05 0.00 2.86 0.54 0.46 114.93 118.19 3aet h MET 17 Ca -0.05 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 3aet h MET 17 Cb 0.73 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3aet h MET 17 CO -0.01 0.20 -0.58 -0.09 1.06 0.00 0.00 176.91 177.50 3aet h ARG 18 N 0.32 0.16 0.14 1.72 2.43 0.12 -1.66 114.38 117.62 3aet h ARG 18 Ca 0.66 -0.11 -0.33 0.00 -0.81 0.00 0.00 59.98 59.40 3aet h ARG 18 Cb 1.77 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.34 3aet h ARG 18 CO -0.36 0.70 -1.68 0.28 -1.51 0.00 0.00 179.97 177.40 3aet h VAL 19 N 0.12 0.90 -0.73 0.20 2.07 -0.27 -2.68 116.25 115.86 3aet h VAL 19 Ca -0.00 -2.42 0.06 0.00 0.82 0.00 0.00 66.70 65.15 3aet h VAL 19 Cb 1.05 2.67 -0.06 0.00 -1.52 0.00 0.00 31.29 33.44 3aet h VAL 19 CO 0.08 0.80 0.42 0.00 0.02 0.00 0.00 177.57 178.89 3aet h ALA 20 N 0.03 0.98 -0.14 1.67 0.00 -1.08 -2.82 119.26 117.90 3aet h ALA 20 Ca -0.35 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3aet h ALA 20 Cb 1.94 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3aet h ALA 20 CO 0.10 0.12 -0.54 1.15 0.00 0.00 0.00 179.25 180.08 3aet h THR 21 N 0.77 1.34 0.00 0.00 2.02 -1.44 -2.93 112.91 112.67 3aet h THR 21 Ca 0.32 -1.81 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 3aet h THR 21 Cb 0.19 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3aet h THR 21 CO -0.18 0.55 -0.01 0.00 0.37 0.00 0.00 175.52 176.25 3aet h ALA 22 N 1.11 1.74 -2.33 6.16 0.00 -1.51 -3.42 119.26 121.00 3aet h ALA 22 Ca 0.01 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3aet h ALA 22 Cb 1.05 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3aet h ALA 22 CO 0.09 0.01 -0.00 -1.64 0.00 0.00 0.00 179.25 177.71 3aet s MET 23 N -4.82 3.62 0.20 0.00 -1.94 -1.11 -0.12 119.30 115.13 3aet s MET 23 Ca -0.05 0.15 0.06 0.00 -1.71 0.00 0.00 55.69 54.14 3aet s MET 23 Cb 0.16 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 3aet s MET 23 CO 0.61 0.01 0.15 -1.59 -0.01 0.00 0.00 175.02 174.19 3aet s LYS 24 N -4.10 2.87 -1.45 2.03 -2.85 -0.35 -4.68 119.74 111.21 3aet s LYS 24 Ca 0.46 -0.97 -0.07 0.00 -1.00 0.00 0.00 55.97 54.40 3aet s LYS 24 Cb -0.10 -2.59 0.05 0.00 -2.06 0.00 0.00 37.83 33.13 3aet s LYS 24 CO 0.36 0.45 0.75 -0.25 0.10 0.00 0.00 175.35 176.76 3aet n ASP 25 N -0.66 -2.50 -3.72 0.03 8.00 -1.26 -4.19 116.55 112.24 3aet n ASP 25 Ca -0.08 -0.86 -0.16 0.00 0.71 0.00 0.00 54.79 54.40 3aet n ASP 25 Cb 0.56 -3.65 -0.16 0.00 -0.02 0.00 0.00 41.12 37.85 3aet n ASP 25 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3aet s LEU 26 N -7.02 0.57 -0.12 0.64 0.20 -1.26 -3.06 118.68 108.63 3aet s LEU 26 Ca 0.32 0.19 -0.02 0.00 0.69 0.00 0.00 54.13 55.30 3aet s LEU 26 Cb -0.16 0.12 -0.03 0.00 -0.43 0.00 0.00 46.19 45.69 3aet s LEU 26 CO 0.85 -0.18 -0.04 -1.58 -0.29 0.00 0.00 176.35 175.11 3aet s GLN 27 N 1.54 3.35 -0.11 1.98 2.00 -1.20 -4.77 119.66 122.45 3aet s GLN 27 Ca -0.04 -0.51 0.00 0.00 -2.00 0.00 0.00 55.36 52.81 3aet s GLN 27 Cb -0.12 -2.81 -0.02 0.00 0.80 0.00 0.00 33.01 30.86 3aet s GLN 27 CO -0.04 0.41 -0.13 -1.17 -0.50 0.00 0.00 175.29 173.86 3aet s LEU 28 N -0.09 2.76 -0.22 3.68 2.96 -0.99 -1.07 118.68 125.70 3aet s LEU 28 Ca 0.02 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3aet s LEU 28 Cb -0.13 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.95 3aet s LEU 28 CO 0.03 0.21 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.50 3aet s VAL 29 N 0.10 3.04 -0.32 1.68 1.01 0.33 -1.50 120.40 124.73 3aet s VAL 29 Ca -0.06 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 3aet s VAL 29 Cb -0.15 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3aet s VAL 29 CO 0.04 0.39 0.20 -0.76 0.00 0.00 0.00 175.10 174.97 3aet s LEU 30 N 1.41 4.30 -0.22 3.92 1.43 -0.25 -1.05 118.68 128.22 3aet s LEU 30 Ca 0.04 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 3aet s LEU 30 Cb -0.15 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3aet s LEU 30 CO -0.05 -0.21 1.29 -2.28 0.23 0.00 0.00 176.35 175.33 3aet s HIS 31 N 1.67 2.77 0.02 0.29 2.46 -0.24 -2.62 115.29 119.63 3aet s HIS 31 Ca 0.05 0.94 -0.29 0.00 0.47 0.00 0.00 55.06 56.24 3aet s HIS 31 Cb -0.17 -3.67 0.10 0.00 -0.13 0.00 0.00 32.58 28.71 3aet s HIS 31 CO 0.08 -1.73 1.16 0.20 -2.47 0.00 0.00 174.74 171.98 3aet s GLY 32 N 2.35 -0.35 0.78 1.59 0.00 -1.26 -0.09 107.32 110.34 3aet s GLY 32 Ca 0.56 0.63 -0.11 0.00 0.00 0.00 0.00 44.72 45.79 3aet s GLY 32 CO 0.18 0.14 1.09 2.56 0.00 0.00 0.00 173.10 177.07 3aet s PRO 33 N -2.73 2.23 0.14 2.90 0.04 -1.26 -2.59 135.00 133.73 3aet s PRO 33 Ca 0.13 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 3aet s PRO 33 Cb 0.02 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 3aet s PRO 33 CO -0.02 -1.52 1.19 -1.14 0.04 0.00 0.00 177.00 175.54 3aet s GLN 34 N -5.16 4.48 0.00 4.56 -0.44 -0.45 -3.03 119.66 119.62 3aet s GLN 34 Ca 0.60 1.82 0.00 0.00 -2.50 0.00 0.00 55.36 55.28 3aet s GLN 34 Cb -0.14 -3.28 0.00 0.00 -1.64 0.00 0.00 33.01 27.95 3aet s GLN 34 CO 0.54 -0.13 0.00 0.41 0.50 0.00 0.00 175.29 176.61 3aet n GLY 35 N 2.57 0.66 1.90 2.59 0.00 -1.26 -4.94 105.19 106.71 3aet n GLY 35 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 3aet n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aet n THR 37 N -1.02 0.62 -0.48 0.00 -2.24 -1.26 -4.70 114.28 105.21 3aet n THR 37 Ca 0.50 -0.81 0.43 0.00 -2.27 0.00 0.00 64.05 61.89 3aet n THR 37 Cb 1.46 0.87 0.78 0.00 -2.10 0.00 0.00 70.33 71.35 3aet n THR 37 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 3aet h TYR 38 N 4.42 0.00 -0.11 4.78 -0.00 -2.00 -2.89 116.97 121.17 3aet h TYR 38 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.75 3aet h TYR 38 Cb 0.99 -0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.71 3aet h TYR 38 CO 0.31 -0.00 0.08 0.00 -0.00 0.00 0.00 178.16 178.54 3aet h ALA 39 N 1.25 2.03 -0.66 0.10 0.00 -1.97 -2.56 119.26 117.45 3aet h ALA 39 Ca 0.72 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.68 3aet h ALA 39 Cb 2.87 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 20.57 3aet h ALA 39 CO -0.01 -0.06 -0.39 -0.25 0.00 0.00 0.00 179.25 178.54 3aet n ASP 40 N -4.51 -0.70 -0.14 0.00 8.00 -1.09 -0.40 116.55 117.70 3aet n ASP 40 Ca -0.01 1.35 0.14 0.00 0.71 0.00 0.00 54.79 56.98 3aet n ASP 40 Cb 0.15 -0.23 0.25 0.00 -0.02 0.00 0.00 41.12 41.27 3aet n ASP 40 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3aet n LEU 41 N -4.60 0.15 -0.03 0.64 0.00 -0.97 0.24 117.00 112.44 3aet n LEU 41 Ca 0.01 0.70 -0.13 0.00 0.00 0.00 0.00 56.01 56.59 3aet n LEU 41 Cb 0.17 -0.34 -0.10 0.00 0.00 0.00 0.00 43.42 43.16 3aet n LEU 41 CO -0.11 -0.78 0.58 -0.07 0.00 0.00 0.00 177.39 177.01 3aet h LEU 42 N 0.00 0.14 -1.25 -1.96 4.07 -0.92 -1.99 115.31 113.40 3aet h LEU 42 Ca 0.36 -0.56 -0.07 0.00 0.08 0.00 0.00 57.88 57.69 3aet h LEU 42 Cb 0.95 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 3aet h LEU 42 CO -0.32 0.67 -0.34 -0.26 -1.08 0.00 0.00 178.44 177.10 3aet h PHE 43 N -0.39 0.00 0.12 1.13 0.04 -0.21 -0.97 116.94 116.65 3aet h PHE 43 Ca 0.00 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.42 3aet h PHE 43 Cb 0.64 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 3aet h PHE 43 CO 0.12 0.34 -1.93 1.15 -0.60 0.00 0.00 178.31 177.39 3aet h THR 44 N 0.00 0.66 0.00 -1.55 2.02 -1.25 -2.52 112.91 110.27 3aet h THR 44 Ca -0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.84 3aet h THR 44 Cb 0.70 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3aet h THR 44 CO 0.04 0.86 -0.43 0.80 0.37 0.00 0.00 175.52 177.16 3aet n MET 45 N -3.57 0.30 0.16 6.66 1.56 -0.75 -3.01 117.12 118.47 3aet n MET 45 Ca -0.32 0.31 -0.14 0.00 -0.27 0.00 0.00 57.70 57.28 3aet n MET 45 Cb 1.02 -1.23 -0.08 0.00 2.15 0.00 0.00 33.22 35.08 3aet n MET 45 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 3aet h ILE 46 N -0.62 0.78 0.00 1.12 2.04 -1.27 -2.75 117.51 116.81 3aet h ILE 46 Ca 0.00 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 3aet h ILE 46 Cb 0.43 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3aet h ILE 46 CO 0.00 0.05 -0.50 -0.08 0.00 0.00 0.00 178.15 177.62 3aet h GLU 47 N -0.45 0.00 0.00 2.37 4.81 -1.59 -3.42 114.58 116.30 3aet h GLU 47 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3aet h GLU 47 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3aet h GLU 47 CO 0.06 0.50 0.00 -2.13 -0.73 0.00 0.00 179.01 176.71 3aet n ARG 48 N -3.24 0.00 -1.66 1.92 3.00 -1.04 -4.99 116.66 110.64 3aet n ARG 48 Ca 0.02 0.17 -0.34 0.00 -0.00 0.00 0.00 57.85 57.70 3aet n ARG 48 Cb 0.72 -2.90 0.06 0.00 0.00 0.00 0.00 32.46 30.34 3aet n ARG 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3aet s ARG 49 N -2.56 2.56 -0.03 -0.14 3.52 -0.95 -4.94 118.95 116.41 3aet s ARG 49 Ca 0.00 1.58 0.22 0.00 -0.13 0.00 0.00 55.73 57.40 3aet s ARG 49 Cb 0.00 -1.90 -0.34 0.00 -1.56 0.00 0.00 34.95 31.15 3aet s ARG 49 CO 0.00 -1.47 0.48 0.27 -0.81 0.00 0.00 175.30 173.76 3aet n ASN 50 N -2.43 0.02 -4.59 -2.12 6.94 -1.26 -4.75 115.26 107.07 3aet n ASN 50 Ca 0.12 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.44 3aet n ASN 50 Cb 0.51 1.99 -0.09 0.00 -2.36 0.00 0.00 39.78 39.84 3aet n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3aet s ALA 51 N -3.51 3.05 0.55 -2.53 0.00 -1.26 -5.13 121.76 112.93 3aet s ALA 51 Ca -0.08 -1.84 -0.19 0.00 0.00 0.00 0.00 51.96 49.86 3aet s ALA 51 Cb 0.14 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.74 3aet s ALA 51 CO 0.91 0.20 1.10 -0.98 0.00 0.00 0.00 175.76 176.98 3aet s ARG 52 N -3.64 3.40 0.39 0.00 1.70 -1.26 -4.95 118.95 114.59 3aet s ARG 52 Ca 0.32 1.48 -0.27 0.00 -0.47 0.00 0.00 55.73 56.79 3aet s ARG 52 Cb -0.04 -2.02 -0.11 0.00 -0.57 0.00 0.00 34.95 32.21 3aet s ARG 52 CO 0.18 -0.78 1.44 -2.30 -1.08 0.00 0.00 175.30 172.75 3aet n PRO 53 N -1.42 2.47 -0.53 3.89 -0.02 -1.26 -4.76 135.00 133.36 3aet n PRO 53 Ca 0.11 0.87 -0.11 0.00 -2.02 0.00 0.00 63.50 62.34 3aet n PRO 53 Cb 0.52 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 3aet n PRO 53 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3aet n PRO 54 N 0.29 1.28 -4.49 0.52 -0.04 -1.26 -4.79 135.00 126.52 3aet n PRO 54 Ca 0.03 -0.84 -0.23 0.00 -0.04 0.00 0.00 63.50 62.43 3aet n PRO 54 Cb 0.39 -2.02 -0.16 0.00 -0.04 0.00 0.00 33.50 31.67 3aet n PRO 54 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3aet s VAL 55 N 2.81 0.96 0.18 0.52 1.01 -1.26 -2.35 120.40 122.27 3aet s VAL 55 Ca 0.32 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.96 3aet s VAL 55 Cb 0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3aet s VAL 55 CO -0.01 0.31 -0.17 -0.94 0.00 0.00 0.00 175.10 174.29 3aet s SER 56 N 0.45 2.64 0.10 3.32 1.04 -0.56 -5.00 113.70 115.69 3aet s SER 56 Ca -0.09 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 55.47 3aet s SER 56 Cb -0.13 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 3aet s SER 56 CO 0.02 -0.09 -0.15 -0.36 0.98 0.00 0.00 173.24 173.64 3aet s PHE 57 N -2.45 1.36 -0.22 5.02 0.40 -1.26 -1.09 117.98 119.74 3aet s PHE 57 Ca 0.19 -0.50 0.18 0.00 -0.60 0.00 0.00 56.93 56.20 3aet s PHE 57 Cb -0.04 -0.74 0.07 0.00 0.51 0.00 0.00 43.02 42.82 3aet s PHE 57 CO 0.07 0.11 1.29 0.66 0.70 0.00 0.00 175.22 178.05 3aet h SER 58 N 3.92 0.00 -6.03 1.36 4.64 -1.71 -3.48 113.55 112.25 3aet h SER 58 Ca -0.41 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.50 3aet h SER 58 Cb 1.19 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.35 3aet h SER 58 CO 0.45 0.35 -0.82 0.41 -0.87 0.00 0.00 176.83 176.35 3aet n THR 59 N -3.06 -4.65 -2.70 2.95 -1.04 -1.07 -4.92 114.28 99.80 3aet n THR 59 Ca -0.00 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.05 61.18 3aet n THR 59 Cb 0.69 -3.94 -0.06 0.00 -1.82 0.00 0.00 70.33 65.20 3aet n THR 59 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3aet s PHE 60 N -3.62 3.22 0.00 -1.42 -0.71 -1.20 -4.42 117.98 109.83 3aet s PHE 60 Ca 0.01 1.59 0.00 0.00 -1.04 0.00 0.00 56.93 57.49 3aet s PHE 60 Cb -0.01 -2.91 0.00 0.00 -1.21 0.00 0.00 43.02 38.89 3aet s PHE 60 CO 0.80 -0.35 0.00 -0.85 -1.34 0.00 0.00 175.22 173.48 3aet n GLU 61 N -0.82 2.10 -0.12 1.99 0.00 -1.26 -1.34 120.64 121.19 3aet n GLU 61 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.19 3aet n GLU 61 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.99 3aet n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3aet h ALA 62 N 1.00 0.20 -0.10 -1.84 0.00 -1.99 -2.89 119.26 113.63 3aet h ALA 62 Ca 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.80 3aet h ALA 62 Cb 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3aet h ALA 62 CO 0.00 -0.50 -0.08 -1.13 0.00 0.00 0.00 179.25 177.54 3aet n SER 63 N -5.35 5.60 0.00 0.00 3.41 -1.26 -3.32 113.62 112.70 3aet n SER 63 Ca 0.03 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 3aet n SER 63 Cb 0.26 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 3aet n SER 63 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3aet n HIS 64 N 2.24 0.00 -2.12 7.33 8.25 -1.09 -5.10 115.22 124.73 3aet n HIS 64 Ca 0.45 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.56 3aet n HIS 64 Cb 0.83 0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.97 3aet n HIS 64 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3aet s MET 65 N 0.00 3.15 0.00 -0.41 -1.94 -1.21 -4.06 119.30 114.83 3aet s MET 65 Ca 0.00 1.68 0.00 0.00 -1.71 0.00 0.00 55.69 55.66 3aet s MET 65 Cb 0.00 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.87 3aet s MET 65 CO 0.00 -1.03 0.00 0.41 -0.01 0.00 0.00 175.02 174.39 3aet n GLY 66 N 0.24 2.32 0.00 -0.03 0.00 -1.26 -4.68 105.19 101.78 3aet n GLY 66 Ca 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3aet n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3aet n THR 67 N 1.57 0.00 0.27 2.61 -2.24 -1.26 -2.54 114.28 112.69 3aet n THR 67 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 3aet n THR 67 Cb 0.00 -0.74 0.54 0.00 -2.10 0.00 0.00 70.33 68.03 3aet n THR 67 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3aet h ASP 68 N 0.00 0.00 0.16 3.42 -0.00 -1.83 -2.84 116.42 115.33 3aet h ASP 68 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 56.72 3aet h ASP 68 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 39.36 3aet h ASP 68 CO 0.00 0.00 -1.30 0.71 -0.00 0.00 0.00 179.24 178.65 3aet h THR 69 N 0.00 1.29 -0.50 2.25 1.35 -1.63 -3.16 112.91 112.51 3aet h THR 69 Ca 0.06 -2.53 0.02 0.00 -0.55 0.00 0.00 66.41 63.40 3aet h THR 69 Cb 1.26 2.82 -0.03 0.00 -1.73 0.00 0.00 68.15 70.47 3aet h THR 69 CO -0.00 0.76 0.31 0.00 -0.25 0.00 0.00 175.52 176.34 3aet h ALA 70 N 0.23 0.63 -0.92 6.62 0.00 -1.81 -2.33 119.26 121.69 3aet h ALA 70 Ca -0.21 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.80 3aet h ALA 70 Cb 1.99 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 3aet h ALA 70 CO 0.25 0.02 0.59 0.82 0.00 0.00 0.00 179.25 180.93 3aet h ILE 71 N 0.61 0.91 -0.58 0.00 1.08 -1.66 -2.11 117.51 115.76 3aet h ILE 71 Ca 0.19 -0.29 -0.08 0.00 -0.39 0.00 0.00 64.86 64.29 3aet h ILE 71 Cb -0.01 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.70 3aet h ILE 71 CO -0.07 0.16 0.05 -0.07 -0.69 0.00 0.00 178.15 177.52 3aet h LEU 72 N 0.85 0.96 -0.69 1.44 3.38 -1.39 -2.35 115.31 117.52 3aet h LEU 72 Ca 0.45 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3aet h LEU 72 Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3aet h LEU 72 CO -0.21 1.00 -0.35 0.25 0.09 0.00 0.00 178.44 179.22 3aet h LEU 73 N 0.88 0.65 0.15 1.67 5.85 -1.28 -1.30 115.31 121.94 3aet h LEU 73 Ca 0.17 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3aet h LEU 73 Cb 0.48 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3aet h LEU 73 CO 0.02 0.94 -0.51 0.50 -0.34 0.00 0.00 178.44 179.05 3aet h LYS 74 N 0.52 -0.73 0.00 1.25 3.64 -1.23 -1.25 116.57 118.78 3aet h LYS 74 Ca 0.05 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3aet h LYS 74 Cb 0.85 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3aet h LYS 74 CO 0.07 -0.49 0.00 -0.44 -2.27 0.00 0.00 179.45 176.33 3aet h ASP 75 N -0.76 0.00 -0.17 4.20 3.32 -1.36 -0.15 116.42 121.49 3aet h ASP 75 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3aet h ASP 75 Cb 0.75 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 3aet h ASP 75 CO -0.26 0.00 -0.12 0.00 -1.72 0.00 0.00 179.24 177.14 3aet h ALA 76 N 2.00 0.25 -0.55 3.45 0.00 -1.02 -1.50 119.26 121.88 3aet h ALA 76 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3aet h ALA 76 Cb 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3aet h ALA 76 CO 0.00 0.10 -0.00 -0.07 0.00 0.00 0.00 179.25 179.28 3aet h LEU 77 N 0.05 0.93 0.16 0.00 3.38 -0.48 -1.33 115.31 118.02 3aet h LEU 77 Ca 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3aet h LEU 77 Cb 0.63 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3aet h LEU 77 CO 0.03 0.99 -0.08 0.00 0.09 0.00 0.00 178.44 179.47 3aet h ALA 78 N 1.11 -0.21 -0.48 1.53 0.00 -1.08 -2.16 119.26 117.96 3aet h ALA 78 Ca 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3aet h ALA 78 Cb 0.52 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3aet h ALA 78 CO 0.03 -0.56 0.16 0.00 0.00 0.00 0.00 179.25 178.87 3aet h ALA 79 N 0.49 0.63 -0.75 0.00 0.00 -1.21 -1.14 119.26 117.28 3aet h ALA 79 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3aet h ALA 79 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3aet h ALA 79 CO 0.04 0.28 0.35 0.00 0.00 0.00 0.00 179.25 179.91 3aet h ALA 80 N 1.01 1.19 0.55 0.00 0.00 -1.23 -0.77 119.26 120.01 3aet h ALA 80 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3aet h ALA 80 Cb 0.26 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3aet h ALA 80 CO -0.01 0.61 -0.26 1.25 0.00 0.00 0.00 179.25 180.84 3aet h HIS 81 N 1.08 -0.68 -0.98 0.00 6.17 -0.99 -2.45 115.15 117.30 3aet h HIS 81 Ca 0.26 -0.02 0.14 0.00 0.71 0.00 0.00 60.37 61.46 3aet h HIS 81 Cb 0.13 0.22 -0.15 0.00 2.52 0.00 0.00 27.41 30.14 3aet h HIS 81 CO 0.01 -0.38 -0.43 0.00 0.71 0.00 0.00 177.93 177.84 3aet h ALA 82 N -1.02 -0.01 -0.05 5.26 0.00 -1.16 -1.70 119.26 120.57 3aet h ALA 82 Ca -0.07 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3aet h ALA 82 Cb 0.61 1.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 3aet h ALA 82 CO 0.12 -0.71 -0.01 -0.09 0.00 0.00 0.00 179.25 178.57 3aet h ARG 83 N -0.01 0.10 0.00 0.00 2.43 -1.16 -3.38 114.38 112.37 3aet h ARG 83 Ca 0.30 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.22 3aet h ARG 83 Cb 0.55 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3aet h ARG 83 CO -0.97 0.43 -2.17 0.66 -1.51 0.00 0.00 179.97 176.41 3aet n TYR 84 N -4.84 0.00 -3.40 2.20 4.02 -0.92 -5.05 117.16 109.17 3aet n TYR 84 Ca -0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.67 3aet n TYR 84 Cb 0.21 -0.76 0.02 0.00 -0.02 0.00 0.00 39.34 38.79 3aet n TYR 84 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3aet n LYS 85 N -2.51 -1.45 -3.51 -0.72 4.01 -0.65 -5.00 118.16 108.32 3aet n LYS 85 Ca -0.20 1.00 -0.34 0.00 -0.51 0.00 0.00 58.31 58.25 3aet n LYS 85 Cb 0.89 -4.59 -0.05 0.00 -0.51 0.00 0.00 35.03 30.76 3aet n LYS 85 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3aet s PRO 86 N -4.34 3.81 0.41 1.97 0.04 -1.26 -4.98 135.00 130.65 3aet s PRO 86 Ca 0.17 0.25 0.20 0.00 0.04 0.00 0.00 61.00 61.67 3aet s PRO 86 Cb -0.05 -2.95 1.15 0.00 0.04 0.00 0.00 34.50 32.69 3aet s PRO 86 CO 0.81 0.52 1.77 1.96 0.04 0.00 0.00 177.00 182.09 3aet h GLN 87 N 3.54 0.34 0.00 4.56 4.20 -1.92 -3.44 115.11 122.40 3aet h GLN 87 Ca -0.49 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.03 3aet h GLN 87 Cb 1.19 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 3aet h GLN 87 CO 0.67 0.23 -0.03 0.00 -0.67 0.00 0.00 178.83 179.03 3aet n ALA 88 N -2.49 -0.59 -2.92 3.87 0.00 -1.26 -4.32 120.51 112.81 3aet n ALA 88 Ca 0.26 -1.24 -0.11 0.00 0.00 0.00 0.00 53.44 52.36 3aet n ALA 88 Cb 0.93 0.99 -0.06 0.00 0.00 0.00 0.00 19.45 21.31 3aet n ALA 88 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3aet s MET 89 N -2.49 1.53 -0.11 0.00 -1.94 -0.07 -3.24 119.30 112.97 3aet s MET 89 Ca 0.21 -1.41 -0.17 0.00 -1.71 0.00 0.00 55.69 52.60 3aet s MET 89 Cb -0.02 0.42 0.04 0.00 2.01 0.00 0.00 34.83 37.29 3aet s MET 89 CO 0.15 -0.61 0.44 0.00 -0.01 0.00 0.00 175.02 174.99 3aet s ALA 90 N -3.90 -1.11 0.01 3.03 0.00 -0.24 -1.81 121.76 117.75 3aet s ALA 90 Ca 0.27 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.28 3aet s ALA 90 Cb 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3aet s ALA 90 CO 0.11 -0.25 -0.12 0.54 0.00 0.00 0.00 175.76 176.05 3aet s VAL 91 N -0.39 0.92 0.23 0.00 0.11 0.17 -0.51 120.40 120.92 3aet s VAL 91 Ca -0.05 -0.64 -0.15 0.00 -2.93 0.00 0.00 61.98 58.21 3aet s VAL 91 Cb -0.03 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.03 3aet s VAL 91 CO 0.03 0.15 0.50 0.00 -3.33 0.00 0.00 175.10 172.45 3aet s ALA 92 N -0.46 -0.53 -0.16 1.54 0.00 -0.22 -0.80 121.76 121.13 3aet s ALA 92 Ca 0.03 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 3aet s ALA 92 Cb -0.05 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3aet s ALA 92 CO 0.00 -0.85 0.05 -0.51 0.00 0.00 0.00 175.76 174.46 3aet s LEU 93 N -2.96 3.78 0.81 0.00 1.43 -1.26 -1.08 118.68 119.39 3aet s LEU 93 Ca 0.17 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 3aet s LEU 93 Cb -0.01 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.35 3aet s LEU 93 CO 0.05 0.22 1.10 0.42 0.23 0.00 0.00 176.35 178.37 3aet s THR 94 N 0.09 3.02 0.38 5.49 -4.23 0.87 -4.76 115.64 116.49 3aet s THR 94 Ca 0.05 0.33 0.13 0.00 -1.18 0.00 0.00 61.69 61.01 3aet s THR 94 Cb -0.12 -3.05 0.35 0.00 1.34 0.00 0.00 72.50 71.01 3aet s THR 94 CO 0.01 -0.43 1.85 0.00 -0.54 0.00 0.00 174.62 175.51 3aet h THR 96 N 0.56 1.25 0.00 0.00 2.02 -1.92 -2.84 112.91 111.99 3aet h THR 96 Ca 0.48 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3aet h THR 96 Cb 0.96 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3aet h THR 96 CO -0.22 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.01 3aet h ALA 97 N 1.03 1.00 0.00 6.16 0.00 -1.02 -2.60 119.26 123.83 3aet h ALA 97 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3aet h ALA 97 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3aet h ALA 97 CO 0.00 0.00 -0.16 1.49 0.00 0.00 0.00 179.25 180.58 3aet h GLU 98 N 0.00 0.00 -0.45 0.00 4.81 -0.93 -2.14 114.58 115.87 3aet h GLU 98 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3aet h GLU 98 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3aet h GLU 98 CO 0.00 0.16 0.00 1.28 -0.73 0.00 0.00 179.01 179.72 3aet n LEU 99 N -3.47 2.45 -4.90 1.64 4.77 -0.98 -4.89 117.00 111.63 3aet n LEU 99 Ca -0.01 -1.22 -0.24 0.00 -0.03 0.00 0.00 56.01 54.52 3aet n LEU 99 Cb 0.33 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3aet n LEU 99 CO 0.31 0.61 0.06 -0.76 -1.33 0.00 0.00 177.39 176.28 3aet s LEU 100 N -1.04 2.96 -0.09 2.23 1.02 -0.80 -5.08 118.68 117.88 3aet s LEU 100 Ca 0.31 -1.05 0.14 0.00 0.02 0.00 0.00 54.13 53.55 3aet s LEU 100 Cb 0.16 -1.49 -0.24 0.00 0.02 0.00 0.00 46.19 44.64 3aet s LEU 100 CO 0.21 -0.97 0.47 0.00 0.02 0.00 0.00 176.35 176.09 3aet n GLN 101 N -1.72 0.65 -1.67 1.70 1.13 -1.26 -4.93 117.38 111.27 3aet n GLN 101 Ca 0.02 0.20 -0.46 0.00 -1.94 0.00 0.00 57.00 54.81 3aet n GLN 101 Cb 0.63 -1.71 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 3aet n GLN 101 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3aet n ASP 102 N -2.95 3.15 -4.46 1.08 9.92 -1.26 -4.96 116.55 117.07 3aet n ASP 102 Ca -0.22 1.07 -0.33 0.00 -0.53 0.00 0.00 54.79 54.78 3aet n ASP 102 Cb 1.09 -1.42 -0.13 0.00 -0.64 0.00 0.00 41.12 40.01 3aet n ASP 102 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3aet s ASP 103 N 1.32 4.28 0.30 -2.24 1.47 -1.26 -5.01 116.67 115.53 3aet s ASP 103 Ca 0.80 -0.21 0.26 0.00 1.18 0.00 0.00 52.55 54.58 3aet s ASP 103 Cb -0.68 -1.41 0.98 0.00 -0.34 0.00 0.00 42.92 41.47 3aet s ASP 103 CO 0.39 0.24 1.76 1.55 0.68 0.00 0.00 175.17 179.79 3aet h PRO 104 N 6.16 0.00 0.00 2.11 0.13 -1.95 -2.64 132.00 135.82 3aet h PRO 104 Ca -0.35 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3aet h PRO 104 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3aet h PRO 104 CO 0.55 0.00 -0.00 -0.97 -0.23 0.00 0.00 178.00 177.35 3aet h ASN 105 N 0.00 -0.00 -0.49 1.44 -0.00 -1.95 -3.21 115.58 111.37 3aet h ASN 105 Ca 0.00 -0.78 -0.03 0.00 -0.00 0.00 0.00 56.30 55.49 3aet h ASN 105 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.78 3aet h ASN 105 CO 0.00 0.88 0.20 1.23 -0.00 0.00 0.00 177.43 179.74 3aet h GLY 106 N -1.00 0.84 1.44 1.57 0.00 -1.94 0.16 103.07 104.15 3aet h GLY 106 Ca -0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 47.33 46.63 3aet h GLY 106 CO 0.00 0.41 -1.14 -2.22 0.00 0.00 0.00 176.54 173.58 3aet h ILE 107 N 0.77 1.38 -0.42 2.60 2.04 -1.66 -2.07 117.51 120.14 3aet h ILE 107 Ca 0.18 -2.60 -0.10 0.00 1.00 0.00 0.00 64.86 63.33 3aet h ILE 107 Cb 0.18 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 3aet h ILE 107 CO -0.01 0.78 -0.14 0.77 0.00 0.00 0.00 178.15 179.55 3aet h SER 108 N 0.21 0.85 0.58 1.72 4.64 -1.47 -2.51 113.55 117.57 3aet h SER 108 Ca -0.14 -0.38 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 3aet h SER 108 Cb 1.82 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.66 3aet h SER 108 CO 0.20 1.03 -0.46 0.03 -0.87 0.00 0.00 176.83 176.77 3aet h ARG 109 N 0.65 -0.98 -0.01 4.77 3.08 -0.75 -2.80 114.38 118.35 3aet h ARG 109 Ca 0.10 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3aet h ARG 109 Cb 0.68 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3aet h ARG 109 CO 0.05 -0.65 -0.07 0.00 -1.07 0.00 0.00 179.97 178.22 3aet h ALA 110 N -0.81 -0.52 -0.93 0.04 0.00 -1.37 -2.74 119.26 112.92 3aet h ALA 110 Ca -0.07 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.07 3aet h ALA 110 Cb 0.85 0.61 -0.17 0.00 0.00 0.00 0.00 17.79 19.08 3aet h ALA 110 CO 0.01 -0.55 0.02 1.25 0.00 0.00 0.00 179.25 179.98 3aet h LEU 111 N -0.09 -0.45 -2.30 0.00 6.46 -1.57 -3.47 115.31 113.89 3aet h LEU 111 Ca 0.00 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 3aet h LEU 111 Cb 0.10 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 3aet h LEU 111 CO -0.06 -0.30 -0.48 -3.20 -0.62 0.00 0.00 178.44 173.78 3aet n ASN 112 N -5.45 -7.79 -4.91 1.25 5.15 -1.04 -5.03 115.26 97.43 3aet n ASN 112 Ca 0.20 0.52 -0.27 0.00 -0.60 0.00 0.00 54.58 54.43 3aet n ASN 112 Cb 0.67 -5.28 0.02 0.00 -0.53 0.00 0.00 39.78 34.67 3aet n ASN 112 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3aet s LEU 113 N -2.58 3.34 0.39 1.20 1.02 -1.26 -5.01 118.68 115.78 3aet s LEU 113 Ca 0.24 0.78 0.10 0.00 0.02 0.00 0.00 54.13 55.27 3aet s LEU 113 Cb -0.07 -3.65 0.87 0.00 0.02 0.00 0.00 46.19 43.36 3aet s LEU 113 CO 0.75 -0.93 1.94 -0.65 0.02 0.00 0.00 176.35 177.48 3aet h PRO 114 N -0.07 0.60 -6.22 1.29 0.11 -2.01 -3.45 132.00 122.24 3aet h PRO 114 Ca -0.46 -0.04 -0.47 0.00 0.11 0.00 0.00 66.00 65.15 3aet h PRO 114 Cb 1.24 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3aet h PRO 114 CO 0.61 0.39 -0.43 0.14 -0.21 0.00 0.00 178.00 178.50 3aet s VAL 115 N -5.57 4.62 0.34 3.15 -7.23 -1.26 -5.07 120.40 109.39 3aet s VAL 115 Ca -0.09 -1.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 3aet s VAL 115 Cb 0.20 -3.58 -0.11 0.00 0.56 0.00 0.00 36.38 33.45 3aet s VAL 115 CO 0.77 -0.28 1.39 -2.84 -0.31 0.00 0.00 175.10 173.83 3aet s PRO 116 N -3.99 4.25 -0.19 4.82 0.02 -1.26 -4.87 135.00 133.78 3aet s PRO 116 Ca 0.37 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.76 3aet s PRO 116 Cb -0.08 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.45 3aet s PRO 116 CO 0.28 -0.34 -0.07 0.08 -0.33 0.00 0.00 177.00 176.61 3aet s VAL 117 N -1.04 1.37 -0.26 3.83 1.01 -1.26 -0.89 120.40 123.16 3aet s VAL 117 Ca 0.51 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 3aet s VAL 117 Cb -0.43 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3aet s VAL 117 CO 0.56 0.12 0.31 -0.69 0.00 0.00 0.00 175.10 175.40 3aet s VAL 118 N 1.51 5.23 0.02 2.92 1.01 -0.75 -4.90 120.40 125.45 3aet s VAL 118 Ca -0.01 0.44 -0.21 0.00 0.00 0.00 0.00 61.98 62.20 3aet s VAL 118 Cb -0.16 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 3aet s VAL 118 CO -0.08 0.21 0.62 -2.16 0.00 0.00 0.00 175.10 173.69 3aet s PRO 119 N 1.84 4.33 -0.06 2.72 0.04 -1.26 0.44 135.00 143.04 3aet s PRO 119 Ca 0.12 0.79 0.04 0.00 0.04 0.00 0.00 61.00 61.99 3aet s PRO 119 Cb -0.16 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 3aet s PRO 119 CO 0.10 0.42 -0.15 -0.51 0.04 0.00 0.00 177.00 176.90 3aet s LEU 120 N -0.41 2.67 -0.45 -3.56 1.43 0.02 -4.93 118.68 113.45 3aet s LEU 120 Ca 0.32 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 3aet s LEU 120 Cb -0.19 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.53 3aet s LEU 120 CO 0.19 0.32 0.45 -1.61 0.23 0.00 0.00 176.35 175.93 3aet s GLU 121 N -0.60 3.05 -0.49 1.70 2.02 -1.26 -4.58 118.70 118.54 3aet s GLU 121 Ca 0.09 -0.99 0.03 0.00 0.02 0.00 0.00 54.97 54.12 3aet s GLU 121 Cb -0.11 -4.04 0.13 0.00 0.10 0.00 0.00 34.13 30.20 3aet s GLU 121 CO 0.01 -0.97 0.24 -0.51 0.02 0.00 0.00 175.26 174.06 3aet s LEU 122 N 2.04 3.87 -0.79 1.80 1.43 -1.26 -4.97 118.68 120.80 3aet s LEU 122 Ca 0.09 -2.86 -0.25 0.00 -1.03 0.00 0.00 54.13 50.08 3aet s LEU 122 Cb -0.20 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3aet s LEU 122 CO 0.11 -0.25 1.83 -2.84 0.23 0.00 0.00 176.35 175.42 3aet s PRO 123 N -0.05 2.71 0.00 1.29 0.02 -1.26 -4.79 135.00 132.93 3aet s PRO 123 Ca 0.17 -0.00 0.28 0.00 0.02 0.00 0.00 61.00 61.46 3aet s PRO 123 Cb -0.25 -4.76 1.48 0.00 0.02 0.00 0.00 34.50 30.98 3aet s PRO 123 CO -0.01 -2.94 1.97 0.45 -0.33 0.00 0.00 177.00 176.14 3aet n SER 124 N 12.76 0.00 -0.36 2.53 2.88 -1.26 -0.50 113.62 129.67 3aet n SER 124 Ca 0.29 -0.32 0.05 0.00 -1.33 0.00 0.00 58.87 57.57 3aet n SER 124 Cb 0.49 -0.21 0.03 0.00 -0.75 0.00 0.00 64.21 63.77 3aet n SER 124 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3aet n TYR 125 N -1.21 0.00 0.00 0.66 4.01 -1.26 -4.53 117.16 114.83 3aet n TYR 125 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 3aet n TYR 125 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3aet n TYR 125 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3aet n SER 126 N 0.26 3.89 -3.05 7.72 7.64 -1.05 -5.10 113.62 123.93 3aet n SER 126 Ca 0.06 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.78 3aet n SER 126 Cb 0.25 0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 63.93 3aet n SER 126 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3aet n ARG 127 N -1.50 0.88 -3.38 1.43 5.12 0.34 -5.09 116.66 114.45 3aet n ARG 127 Ca 0.00 -2.05 -0.12 0.00 -1.93 0.00 0.00 57.85 53.75 3aet n ARG 127 Cb 0.26 0.96 -0.04 0.00 -1.16 0.00 0.00 32.46 32.48 3aet n ARG 127 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3aet n LYS 128 N -0.59 0.40 -0.29 5.56 5.02 -1.26 -4.46 118.16 122.54 3aet n LYS 128 Ca -0.06 -2.11 -0.07 0.00 -2.02 0.00 0.00 58.31 54.05 3aet n LYS 128 Cb 0.36 1.89 -0.03 0.00 -0.02 0.00 0.00 35.03 37.23 3aet n LYS 128 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3aet h GLU 129 N 0.00 -0.13 -0.98 1.97 4.81 -0.90 -0.70 114.58 118.65 3aet h GLU 129 Ca -0.18 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3aet h GLU 129 Cb 0.83 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.18 3aet h GLU 129 CO 0.25 -0.09 0.64 -0.91 -0.73 0.00 0.00 179.01 178.17 3aet h ASN 130 N -0.14 1.04 -0.05 1.04 4.21 -1.90 0.40 115.58 120.18 3aet h ASN 130 Ca 0.21 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.72 3aet h ASN 130 Cb 0.54 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.52 3aet h ASN 130 CO -0.80 0.68 0.03 0.22 -1.29 0.00 0.00 177.43 176.27 3aet h TYR 131 N 1.19 0.07 -0.83 1.19 3.20 -1.60 -2.20 116.97 117.98 3aet h TYR 131 Ca 0.41 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.46 3aet h TYR 131 Cb 0.09 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.22 3aet h TYR 131 CO -0.01 0.12 0.32 0.78 -1.64 0.00 0.00 178.16 177.74 3aet h GLY 132 N 0.00 1.33 0.97 1.82 0.00 0.43 0.20 103.07 107.82 3aet h GLY 132 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3aet h GLY 132 CO -0.00 -0.20 0.22 0.00 0.00 0.00 0.00 176.54 176.55 3aet h ALA 133 N 1.65 0.54 0.45 3.60 0.00 -0.77 -2.18 119.26 122.55 3aet h ALA 133 Ca 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3aet h ALA 133 Cb 0.87 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3aet h ALA 133 CO -0.49 0.09 -0.21 0.22 0.00 0.00 0.00 179.25 178.85 3aet h ASP 134 N 0.55 -0.51 0.07 0.00 3.58 -0.09 -2.49 116.42 117.53 3aet h ASP 134 Ca 0.15 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.52 3aet h ASP 134 Cb 0.08 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 3aet h ASP 134 CO -0.02 -0.10 -0.34 -0.08 -2.88 0.00 0.00 179.24 175.83 3aet h GLU 135 N -1.03 -0.46 -0.99 0.28 4.57 -0.96 0.79 114.58 116.79 3aet h GLU 135 Ca -0.06 0.03 0.37 0.00 -1.18 0.00 0.00 59.36 58.52 3aet h GLU 135 Cb 0.56 0.10 -0.17 0.00 -0.16 0.00 0.00 28.75 29.08 3aet h GLU 135 CO 0.10 -0.30 0.44 1.15 -1.18 0.00 0.00 179.01 179.22 3aet h THR 136 N -0.47 0.08 0.19 0.32 2.02 -1.49 0.36 112.91 113.91 3aet h THR 136 Ca -0.00 -0.03 -0.32 0.00 0.77 0.00 0.00 66.41 66.83 3aet h THR 136 Cb 0.48 -0.00 0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3aet h THR 136 CO -0.19 0.01 -1.36 0.15 0.37 0.00 0.00 175.52 174.51 3aet h PHE 137 N 0.08 1.01 0.07 3.16 3.57 -0.78 -2.23 116.94 121.82 3aet h PHE 137 Ca 0.77 -0.68 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3aet h PHE 137 Cb 1.91 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 40.53 3aet h PHE 137 CO -0.11 1.52 -0.46 -0.09 -2.23 0.00 0.00 178.31 176.95 3aet h ARG 138 N 0.22 -0.63 -0.82 1.11 2.43 0.34 -1.53 114.38 115.49 3aet h ARG 138 Ca -0.22 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.16 3aet h ARG 138 Cb 2.04 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 31.63 3aet h ARG 138 CO 0.26 -0.42 0.34 0.00 -1.51 0.00 0.00 179.97 178.64 3aet h ALA 139 N -0.23 1.22 -0.30 2.80 0.00 -0.49 0.24 119.26 122.50 3aet h ALA 139 Ca 0.02 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3aet h ALA 139 Cb 0.70 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3aet h ALA 139 CO -0.29 -0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 178.58 3aet h LEU 140 N 0.44 0.56 -0.18 0.00 4.07 -1.15 -1.86 115.31 117.19 3aet h LEU 140 Ca 0.48 -0.35 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 3aet h LEU 140 Cb 0.80 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 3aet h LEU 140 CO -0.46 0.78 -0.02 0.58 -1.08 0.00 0.00 178.44 178.25 3aet h VAL 141 N 0.33 1.27 -0.75 1.22 2.07 -0.77 -1.53 116.25 118.09 3aet h VAL 141 Ca 0.08 -0.93 0.11 0.00 0.82 0.00 0.00 66.70 66.78 3aet h VAL 141 Cb 0.53 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 3aet h VAL 141 CO 0.03 0.28 0.49 -0.09 0.02 0.00 0.00 177.57 178.30 3aet h ARG 142 N 0.06 0.58 0.00 1.57 9.65 -0.55 0.38 114.38 126.07 3aet h ARG 142 Ca 0.05 -0.04 -0.17 0.00 -1.10 0.00 0.00 59.98 58.73 3aet h ARG 142 Cb 0.43 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.85 3aet h ARG 142 CO 0.01 0.39 -1.15 0.00 2.80 0.00 0.00 179.97 182.02 3aet h ALA 143 N 1.63 0.64 0.00 2.80 0.00 -1.26 -3.41 119.26 119.66 3aet h ALA 143 Ca 0.35 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3aet h ALA 143 Cb 0.56 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3aet h ALA 143 CO -0.13 0.94 -1.03 1.28 0.00 0.00 0.00 179.25 180.31 3aet n LEU 144 N -3.04 0.10 -4.73 0.00 4.77 -0.58 -4.99 117.00 108.52 3aet n LEU 144 Ca -0.06 -0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.36 3aet n LEU 144 Cb 0.84 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.89 3aet n LEU 144 CO 0.43 0.03 0.53 0.00 -1.33 0.00 0.00 177.39 177.04 3aet s ALA 145 N -2.25 3.30 0.06 -1.18 0.00 0.13 -3.61 121.76 118.21 3aet s ALA 145 Ca -0.01 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.33 3aet s ALA 145 Cb 0.05 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 3aet s ALA 145 CO 0.30 -0.05 -0.11 0.14 0.00 0.00 0.00 175.76 176.04 3aet s VAL 146 N 0.37 0.84 0.70 0.00 -7.23 -1.26 -4.92 120.40 108.90 3aet s VAL 146 Ca 0.42 -1.17 -0.16 0.00 -1.81 0.00 0.00 61.98 59.26 3aet s VAL 146 Cb -0.20 -0.84 -0.00 0.00 0.56 0.00 0.00 36.38 35.89 3aet s VAL 146 CO 0.24 -0.28 1.02 -2.65 -0.31 0.00 0.00 175.10 173.12 3aet n PRO 147 N 1.41 0.63 -3.48 4.82 -0.02 -1.26 -3.93 135.00 133.18 3aet n PRO 147 Ca -0.22 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 3aet n PRO 147 Cb 0.54 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3aet n PRO 147 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3aet s MET 148 N -3.29 1.17 0.25 -0.52 1.75 -1.26 -4.94 119.30 112.46 3aet s MET 148 Ca 0.75 -0.17 -0.30 0.00 -1.25 0.00 0.00 55.69 54.72 3aet s MET 148 Cb -0.36 0.54 -0.09 0.00 2.84 0.00 0.00 34.83 37.76 3aet s MET 148 CO 0.48 -0.45 1.07 -2.00 -0.65 0.00 0.00 175.02 173.47 3aet s GLU 149 N -2.64 4.67 0.69 4.11 2.56 -1.26 -4.58 118.70 122.24 3aet s GLU 149 Ca -0.04 1.73 -0.17 0.00 0.00 0.00 0.00 54.97 56.49 3aet s GLU 149 Cb -0.01 -3.22 0.01 0.00 2.00 0.00 0.00 34.13 32.91 3aet s GLU 149 CO -0.03 0.24 1.26 1.03 -0.56 0.00 0.00 175.26 177.20 3aet s ARG 150 N -1.17 2.34 0.71 4.30 3.00 -1.26 -4.41 118.95 122.47 3aet s ARG 150 Ca 0.45 1.96 -0.16 0.00 0.00 0.00 0.00 55.73 57.98 3aet s ARG 150 Cb -0.30 -1.83 0.02 0.00 0.00 0.00 0.00 34.95 32.84 3aet s ARG 150 CO 0.38 -1.73 1.25 0.25 0.00 0.00 0.00 175.30 175.45 3aet n THR 151 N -2.25 3.83 0.07 0.02 -2.24 0.27 -4.94 114.28 109.02 3aet n THR 151 Ca 0.15 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 3aet n THR 151 Cb 0.49 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.29 3aet n THR 151 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3aet h PRO 152 N -0.02 -0.49 -7.24 -0.78 0.13 -1.93 -3.43 132.00 118.24 3aet h PRO 152 Ca -0.49 0.03 -0.45 0.00 -0.87 0.00 0.00 66.00 64.22 3aet h PRO 152 Cb 1.33 0.11 0.09 0.00 0.13 0.00 0.00 31.00 32.65 3aet h PRO 152 CO 0.50 -0.33 0.17 -1.83 -0.23 0.00 0.00 178.00 176.29 3aet s GLU 153 N -5.98 1.87 -0.09 0.86 1.03 -1.26 -5.05 118.70 110.08 3aet s GLU 153 Ca -0.16 -0.63 -0.30 0.00 0.03 0.00 0.00 54.97 53.92 3aet s GLU 153 Cb 0.09 -2.23 -0.02 0.00 -0.80 0.00 0.00 34.13 31.17 3aet s GLU 153 CO 0.65 -1.38 1.07 0.08 -1.33 0.00 0.00 175.26 174.35 3aet s VAL 154 N -3.22 4.61 0.06 1.83 1.01 -1.26 -4.96 120.40 118.46 3aet s VAL 154 Ca 0.63 1.89 -0.00 0.00 0.00 0.00 0.00 61.98 64.50 3aet s VAL 154 Cb -0.08 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3aet s VAL 154 CO 0.45 -0.00 -0.04 0.42 0.00 0.00 0.00 175.10 175.93 3aet s THR 155 N 2.11 0.34 0.18 3.92 -4.23 -1.26 -3.24 115.64 113.46 3aet s THR 155 Ca 0.51 -1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 59.11 3aet s THR 155 Cb -0.20 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 3aet s THR 155 CO 0.19 -0.96 0.28 0.00 -0.54 0.00 0.00 174.62 173.59 3aet s ASN 157 N -3.00 5.39 -0.32 0.00 -0.87 -1.02 0.12 114.94 115.23 3aet s ASN 157 Ca 0.21 -0.20 -0.10 0.00 -1.57 0.00 0.00 52.86 51.19 3aet s ASN 157 Cb 0.03 -1.36 -0.01 0.00 -0.02 0.00 0.00 41.25 39.90 3aet s ASN 157 CO 0.03 0.05 0.17 -0.76 -2.57 0.00 0.00 177.10 174.02 3aet s LEU 158 N -3.23 4.22 -0.17 0.60 1.43 -1.14 -0.74 118.68 119.64 3aet s LEU 158 Ca 0.31 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3aet s LEU 158 Cb -0.09 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3aet s LEU 158 CO 0.23 -0.21 -0.02 -0.76 0.23 0.00 0.00 176.35 175.83 3aet s LEU 159 N 1.64 3.31 0.00 1.79 1.02 -0.08 -1.33 118.68 125.03 3aet s LEU 159 Ca 0.05 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.07 3aet s LEU 159 Cb -0.17 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.22 3aet s LEU 159 CO 0.07 0.14 0.00 0.61 0.02 0.00 0.00 176.35 177.19 3aet n GLY 160 N 3.74 0.94 3.77 -3.19 0.00 -0.95 -0.37 105.19 109.12 3aet n GLY 160 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 3aet n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aet s ALA 161 N -0.72 3.39 0.35 4.61 0.00 -1.26 -4.58 121.76 123.55 3aet s ALA 161 Ca 0.00 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3aet s ALA 161 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 3aet s ALA 161 CO 0.00 -0.53 0.44 0.95 0.00 0.00 0.00 175.76 176.62 3aet s THR 162 N -1.21 0.00 0.54 0.00 -4.23 -1.26 -2.23 115.64 107.25 3aet s THR 162 Ca 0.50 -1.70 -0.18 0.00 -1.18 0.00 0.00 61.69 59.13 3aet s THR 162 Cb -0.36 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 70.78 3aet s THR 162 CO 0.47 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 175.61 3aet s ALA 163 N -3.05 2.79 -2.07 3.99 0.00 -1.01 -3.28 121.76 119.14 3aet s ALA 163 Ca 0.33 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3aet s ALA 163 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3aet s ALA 163 CO 0.23 -0.59 0.00 1.28 0.00 0.00 0.00 175.76 176.69 3aet n LEU 164 N -1.50 -1.49 -4.74 0.00 4.77 -1.26 -4.86 117.00 107.92 3aet n LEU 164 Ca 0.09 0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 56.12 3aet n LEU 164 Cb 0.53 -2.76 -0.05 0.00 -2.33 0.00 0.00 43.42 38.80 3aet n LEU 164 CO 0.43 -0.96 0.35 -0.83 -1.33 0.00 0.00 177.39 175.05 3aet s GLY 165 N -2.62 2.63 -0.33 -0.72 0.00 -1.20 -4.99 107.32 100.08 3aet s GLY 165 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 44.72 44.52 3aet s GLY 165 CO 0.00 0.94 1.69 -0.12 0.00 0.00 0.00 173.10 175.62 3aet s PHE 166 N 0.19 1.97 -1.71 1.90 5.36 -1.26 -2.97 117.98 121.46 3aet s PHE 166 Ca 0.34 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 3aet s PHE 166 Cb -0.18 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.34 3aet s PHE 166 CO 0.18 -2.76 0.00 0.54 -1.46 0.00 0.00 175.22 171.72 3aet n ARG 167 N 8.26 -1.59 -0.05 10.12 5.12 -1.26 -4.91 116.66 132.36 3aet n ARG 167 Ca 0.21 0.97 -0.13 0.00 -1.93 0.00 0.00 57.85 56.96 3aet n ARG 167 Cb 0.47 -5.57 -0.08 0.00 -1.16 0.00 0.00 32.46 26.12 3aet n ARG 167 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3aet h HIS 168 N 0.00 0.43 -0.51 -1.55 3.86 -1.88 -2.05 115.15 113.46 3aet h HIS 168 Ca -0.47 -0.14 0.05 0.00 -1.16 0.00 0.00 60.37 58.64 3aet h HIS 168 Cb 1.35 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 29.67 3aet h HIS 168 CO 0.53 0.78 -0.35 -0.09 0.86 0.00 0.00 177.93 179.67 3aet h ARG 169 N -0.05 -0.06 0.00 2.45 2.43 -1.89 -0.69 114.38 116.57 3aet h ARG 169 Ca 0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 3aet h ARG 169 Cb 0.73 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3aet h ARG 169 CO 0.04 -0.04 -0.40 -0.44 -1.51 0.00 0.00 179.97 177.62 3aet h ASP 170 N -0.06 0.00 -0.26 -3.80 3.32 -1.90 -2.64 116.42 111.08 3aet h ASP 170 Ca 0.08 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3aet h ASP 170 Cb 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3aet h ASP 170 CO -0.51 0.40 -0.06 0.44 -1.72 0.00 0.00 179.24 177.79 3aet h ASP 171 N 0.00 0.50 -0.06 6.45 5.19 -0.89 0.19 116.42 127.82 3aet h ASP 171 Ca -0.00 -0.37 0.04 0.00 -0.62 0.00 0.00 57.03 56.08 3aet h ASP 171 Cb 1.13 -0.14 -0.06 0.00 0.18 0.00 0.00 39.33 40.44 3aet h ASP 171 CO 0.05 0.75 -0.32 0.58 -3.12 0.00 0.00 179.24 177.18 3aet h VAL 172 N 0.25 0.29 -0.16 -1.35 2.07 -0.96 0.17 116.25 116.56 3aet h VAL 172 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3aet h VAL 172 Cb 0.53 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3aet h VAL 172 CO 0.03 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.18 3aet h ALA 173 N 0.31 -0.77 -0.98 1.67 0.00 -1.30 -0.60 119.26 117.59 3aet h ALA 173 Ca 0.07 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.05 3aet h ALA 173 Cb 0.56 0.95 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 3aet h ALA 173 CO -0.30 -0.94 0.63 1.49 0.00 0.00 0.00 179.25 180.12 3aet h GLU 174 N -0.42 1.01 -0.25 0.00 4.57 -0.31 -2.23 114.58 116.94 3aet h GLU 174 Ca 0.03 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 57.99 3aet h GLU 174 Cb 0.52 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3aet h GLU 174 CO -0.38 0.67 -0.47 0.28 -1.18 0.00 0.00 179.01 177.93 3aet h VAL 175 N 1.04 1.30 -0.17 0.32 2.07 -0.39 -2.60 116.25 117.82 3aet h VAL 175 Ca 0.46 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 66.36 3aet h VAL 175 Cb 0.36 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 3aet h VAL 175 CO -0.21 0.53 -0.26 0.74 0.02 0.00 0.00 177.57 178.39 3aet h THR 176 N 0.51 0.38 -0.71 2.57 2.02 -0.56 -0.13 112.91 116.98 3aet h THR 176 Ca 0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.32 3aet h THR 176 Cb 1.08 0.38 -0.13 0.00 -1.74 0.00 0.00 68.15 67.73 3aet h THR 176 CO 0.11 0.00 -0.31 0.11 0.37 0.00 0.00 175.52 175.80 3aet h LYS 177 N -0.31 -0.09 0.00 6.66 1.57 -1.43 0.12 116.57 123.09 3aet h LYS 177 Ca 0.11 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3aet h LYS 177 Cb 0.48 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3aet h LYS 177 CO -0.34 -0.06 0.00 1.37 -0.57 0.00 0.00 179.45 179.85 3aet h LEU 178 N -0.09 0.00 -0.00 2.94 8.10 -0.94 -2.06 115.31 123.25 3aet h LEU 178 Ca 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.27 3aet h LEU 178 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 3aet h LEU 178 CO -0.77 0.00 -0.01 -0.07 -4.11 0.00 0.00 178.44 173.48 3aet h LEU 179 N 0.00 0.02 -2.06 0.17 3.38 -0.35 -3.24 115.31 113.22 3aet h LEU 179 Ca 0.00 -0.64 0.11 0.00 0.09 0.00 0.00 57.88 57.44 3aet h LEU 179 Cb 0.85 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3aet h LEU 179 CO 0.00 0.65 0.34 0.00 0.09 0.00 0.00 178.44 179.53 3aet h ALA 180 N 0.37 2.12 0.00 1.53 0.00 -0.59 0.29 119.26 122.98 3aet h ALA 180 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3aet h ALA 180 Cb 0.65 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3aet h ALA 180 CO 0.00 -0.53 -0.08 1.15 0.00 0.00 0.00 179.25 179.79 3aet h THR 181 N 0.00 0.23 -0.61 0.00 2.02 -1.40 -2.65 112.91 110.49 3aet h THR 181 Ca 0.17 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3aet h THR 181 Cb 0.86 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3aet h THR 181 CO -0.00 0.08 0.00 0.23 0.37 0.00 0.00 175.52 176.20 3aet n MET 182 N -3.24 2.59 0.00 6.66 2.00 1.00 -4.65 117.12 121.47 3aet n MET 182 Ca 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 57.70 55.25 3aet n MET 182 Cb 0.33 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.01 3aet n MET 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3aet n GLY 183 N 1.59 2.57 3.60 3.03 0.00 -1.00 -4.90 105.19 110.08 3aet n GLY 183 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3aet n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3aet s ILE 184 N -2.21 4.43 0.33 -0.61 1.01 -1.09 -4.88 121.20 118.19 3aet s ILE 184 Ca 0.00 1.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.86 3aet s ILE 184 Cb 0.00 -4.45 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 3aet s ILE 184 CO 0.00 -0.73 0.57 -0.54 0.00 0.00 0.00 174.94 174.25 3aet s LYS 185 N 3.87 3.55 -0.05 2.79 1.02 -1.20 -2.73 119.74 126.99 3aet s LYS 185 Ca 0.42 -0.13 -0.16 0.00 0.02 0.00 0.00 55.97 56.12 3aet s LYS 185 Cb -0.10 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 3aet s LYS 185 CO 0.23 0.14 0.44 0.54 -0.92 0.00 0.00 175.35 175.78 3aet s VAL 186 N -2.26 5.09 0.00 3.17 0.11 -1.26 -3.03 120.40 122.22 3aet s VAL 186 Ca 0.42 0.89 0.00 0.00 -2.93 0.00 0.00 61.98 60.37 3aet s VAL 186 Cb -0.10 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 3aet s VAL 186 CO 0.34 0.46 0.04 -3.20 -3.33 0.00 0.00 175.10 169.42 3aet n ASN 187 N 2.68 0.00 -3.71 3.54 5.15 0.32 -4.85 115.26 118.39 3aet n ASN 187 Ca -0.11 0.32 -0.18 0.00 -0.60 0.00 0.00 54.58 54.01 3aet n ASN 187 Cb 0.52 -0.30 -0.17 0.00 -0.53 0.00 0.00 39.78 39.30 3aet n ASN 187 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3aet s VAL 188 N -0.68 -0.07 -0.13 3.44 0.11 -1.25 -5.02 120.40 116.80 3aet s VAL 188 Ca 0.00 0.34 -0.27 0.00 -2.93 0.00 0.00 61.98 59.12 3aet s VAL 188 Cb 0.00 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.69 3aet s VAL 188 CO 0.00 0.15 0.90 0.00 -3.33 0.00 0.00 175.10 172.82 3aet s ALA 190 N 1.92 -0.54 0.28 0.00 0.00 -0.44 -4.14 121.76 118.84 3aet s ALA 190 Ca 0.43 0.04 0.27 0.00 0.00 0.00 0.00 51.96 52.70 3aet s ALA 190 Cb -0.18 0.13 1.27 0.00 0.00 0.00 0.00 23.12 24.35 3aet s ALA 190 CO 0.16 -0.26 1.98 -1.35 0.00 0.00 0.00 175.76 176.28 3aet h PRO 191 N 3.92 0.00 -6.21 0.00 0.11 -1.79 -2.53 132.00 125.50 3aet h PRO 191 Ca -0.31 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.25 3aet h PRO 191 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3aet h PRO 191 CO 0.42 0.15 1.00 -1.17 -0.21 0.00 0.00 178.00 178.18 3aet s LEU 192 N -6.91 4.26 -0.91 2.35 2.96 -0.94 -2.90 118.68 116.58 3aet s LEU 192 Ca -0.01 1.98 -0.04 0.00 -0.22 0.00 0.00 54.13 55.83 3aet s LEU 192 Cb 0.11 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3aet s LEU 192 CO 0.59 -0.85 0.79 0.61 -1.32 0.00 0.00 176.35 176.17 3aet n GLY 193 N 3.88 -0.10 3.04 7.98 0.00 0.83 -4.75 105.19 116.07 3aet n GLY 193 Ca 0.16 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3aet n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aet s ALA 194 N -3.23 0.56 0.34 4.61 0.00 -1.14 -4.83 121.76 118.07 3aet s ALA 194 Ca 0.29 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.71 3aet s ALA 194 Cb -0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3aet s ALA 194 CO 0.51 0.03 0.33 -1.54 0.00 0.00 0.00 175.76 175.09 3aet s SER 195 N -1.14 5.38 0.22 0.00 1.04 -1.26 -1.21 113.70 116.72 3aet s SER 195 Ca -0.06 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 55.82 3aet s SER 195 Cb -0.08 -0.97 0.35 0.00 0.10 0.00 0.00 66.02 65.42 3aet s SER 195 CO 0.00 -0.40 1.70 -0.65 0.98 0.00 0.00 173.24 174.87 3aet h PRO 196 N 1.16 0.25 -0.88 4.02 0.11 -1.79 -1.90 132.00 132.97 3aet h PRO 196 Ca -0.44 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.87 3aet h PRO 196 Cb 1.26 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 32.15 3aet h PRO 196 CO 0.57 0.17 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.08 3aet h ASP 197 N 0.26 -0.46 -0.10 -2.05 3.32 -1.93 0.10 116.42 115.56 3aet h ASP 197 Ca 0.35 0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.57 3aet h ASP 197 Cb 0.55 0.43 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3aet h ASP 197 CO -0.45 -0.27 -0.14 0.44 -1.72 0.00 0.00 179.24 177.11 3aet h ASP 198 N 0.06 0.44 0.87 6.45 3.45 -1.75 -3.09 116.42 122.84 3aet h ASP 198 Ca 0.50 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.85 3aet h ASP 198 Cb 0.94 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 3aet h ASP 198 CO -0.81 0.61 0.00 -0.07 -1.57 0.00 0.00 179.24 177.40 3aet h LEU 199 N 0.42 0.00 -0.03 1.55 4.07 -0.33 -2.01 115.31 118.98 3aet h LEU 199 Ca 0.08 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.78 3aet h LEU 199 Cb 0.49 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.25 3aet h LEU 199 CO 0.03 0.00 -1.07 0.03 -1.08 0.00 0.00 178.44 176.35 3aet h ARG 200 N 0.00 0.51 -0.89 1.13 3.08 -1.45 -3.28 114.38 113.47 3aet h ARG 200 Ca 0.00 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.45 3aet h ARG 200 Cb 0.44 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3aet h ARG 200 CO 0.00 1.23 0.00 1.63 -1.07 0.00 0.00 179.97 181.76 3aet n LYS 201 N -3.75 0.90 -0.05 0.04 5.02 -0.75 -4.00 118.16 115.56 3aet n LYS 201 Ca -0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.06 3aet n LYS 201 Cb 0.90 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 34.39 3aet n LYS 201 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3aet h LEU 202 N 0.10 0.34 -1.59 -0.35 3.38 -1.62 -3.34 115.31 112.23 3aet h LEU 202 Ca 0.00 -0.49 0.28 0.00 0.09 0.00 0.00 57.88 57.76 3aet h LEU 202 Cb 0.45 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3aet h LEU 202 CO 0.00 0.76 0.94 1.23 0.09 0.00 0.00 178.44 181.46 3aet h GLY 203 N -0.08 0.00 0.17 0.83 0.00 -1.70 -2.88 103.07 99.41 3aet h GLY 203 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3aet h GLY 203 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 3aet n GLN 204 N -3.60 1.21 -4.21 4.80 10.64 -1.25 -4.43 117.38 120.54 3aet n GLN 204 Ca 0.21 -0.32 -0.35 0.00 -1.83 0.00 0.00 57.00 54.71 3aet n GLN 204 Cb 1.25 -1.32 -0.10 0.00 -0.86 0.00 0.00 30.24 29.21 3aet n GLN 204 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3aet s ALA 205 N -1.94 3.32 0.16 2.61 0.00 -1.09 -0.57 121.76 124.25 3aet s ALA 205 Ca 0.29 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 3aet s ALA 205 Cb 0.14 -1.69 0.07 0.00 0.00 0.00 0.00 23.12 21.63 3aet s ALA 205 CO 0.23 0.36 1.66 0.45 0.00 0.00 0.00 175.76 178.46 3aet h HIS 206 N 6.03 -0.33 -4.21 0.00 3.86 -1.39 -3.45 115.15 115.66 3aet h HIS 206 Ca -0.42 0.04 -0.18 0.00 -1.16 0.00 0.00 60.37 58.65 3aet h HIS 206 Cb 1.19 0.20 -0.15 0.00 1.06 0.00 0.00 27.41 29.71 3aet h HIS 206 CO 0.59 -0.21 -0.67 -0.59 0.86 0.00 0.00 177.93 177.91 3aet s PHE 207 N -6.18 0.79 -0.16 2.45 -0.12 -1.23 -4.41 117.98 109.13 3aet s PHE 207 Ca -0.14 -1.12 -0.05 0.00 -0.05 0.00 0.00 56.93 55.57 3aet s PHE 207 Cb 0.14 -0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.01 3aet s PHE 207 CO 0.70 -0.39 0.01 -0.80 -0.05 0.00 0.00 175.22 174.68 3aet s ASN 208 N -3.02 5.20 -0.52 1.98 0.01 -0.88 -2.45 114.94 115.27 3aet s ASN 208 Ca 0.17 -0.00 -0.19 0.00 -0.71 0.00 0.00 52.86 52.13 3aet s ASN 208 Cb 0.07 -1.82 0.07 0.00 0.41 0.00 0.00 41.25 39.98 3aet s ASN 208 CO -0.03 0.20 0.62 -0.69 -1.51 0.00 0.00 177.10 175.69 3aet s VAL 209 N 0.18 4.90 -0.71 1.60 1.01 0.08 -0.86 120.40 126.60 3aet s VAL 209 Ca 0.01 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 3aet s VAL 209 Cb -0.13 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.96 3aet s VAL 209 CO 0.02 -0.83 1.33 -0.22 0.00 0.00 0.00 175.10 175.39 3aet s LEU 210 N 2.54 3.20 -0.04 3.92 1.98 -1.25 -0.91 118.68 128.12 3aet s LEU 210 Ca 0.13 -0.31 -0.24 0.00 -2.89 0.00 0.00 54.13 50.83 3aet s LEU 210 Cb -0.21 -2.63 -0.23 0.00 0.66 0.00 0.00 46.19 43.79 3aet s LEU 210 CO 0.10 -1.85 1.05 0.24 -1.89 0.00 0.00 176.35 174.00 3aet h MET 211 N 10.46 0.20 -3.99 1.98 2.86 -1.05 -3.43 114.93 121.95 3aet h MET 211 Ca -0.28 -0.21 -0.58 0.00 -2.06 0.00 0.00 59.70 56.58 3aet h MET 211 Cb 1.06 0.06 -0.39 0.00 0.06 0.00 0.00 31.60 32.39 3aet h MET 211 CO 1.26 0.93 -0.77 0.71 1.06 0.00 0.00 176.91 180.10 3aet s TYR 212 N -3.18 1.95 0.20 -0.22 1.51 -1.23 -4.94 117.35 111.45 3aet s TYR 212 Ca -0.16 -1.57 -0.11 0.00 -1.01 0.00 0.00 57.07 54.23 3aet s TYR 212 Cb 0.01 -1.52 0.25 0.00 -0.11 0.00 0.00 41.96 40.59 3aet s TYR 212 CO 0.75 -0.76 1.72 -1.35 -1.11 0.00 0.00 175.55 174.81 3aet h PRO 213 N 8.04 0.30 -0.18 -1.71 0.11 -1.91 -2.25 132.00 134.41 3aet h PRO 213 Ca -0.16 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.99 3aet h PRO 213 Cb 1.07 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3aet h PRO 213 CO 0.41 0.20 0.21 1.05 -0.21 0.00 0.00 178.00 179.65 3aet h GLU 214 N 0.31 0.00 0.00 1.05 9.09 -1.96 -2.91 114.58 120.16 3aet h GLU 214 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 3aet h GLU 214 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3aet h GLU 214 CO -0.34 0.00 -0.44 0.25 0.05 0.00 0.00 179.01 178.53 3aet n THR 215 N -3.74 0.00 -2.65 -1.06 -2.24 -0.90 -4.50 114.28 99.19 3aet n THR 215 Ca 0.01 -0.33 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 3aet n THR 215 Cb 0.33 0.87 0.10 0.00 -2.10 0.00 0.00 70.33 69.53 3aet n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3aet n GLY 216 N 1.34 1.88 0.08 3.38 0.00 -0.91 -3.98 105.19 106.98 3aet n GLY 216 Ca 0.01 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 3aet n GLY 216 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3aet n GLU 217 N -1.23 0.64 0.02 1.61 0.28 -1.11 -2.35 120.64 118.50 3aet n GLU 217 Ca -0.14 0.26 -0.11 0.00 -0.16 0.00 0.00 57.16 57.01 3aet n GLU 217 Cb 0.86 -1.77 -0.06 0.00 1.43 0.00 0.00 31.44 31.90 3aet n GLU 217 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3aet h SER 218 N 0.00 -0.09 -0.97 -1.84 0.02 -1.89 0.19 113.55 108.97 3aet h SER 218 Ca -0.30 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3aet h SER 218 Cb 1.98 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 64.52 3aet h SER 218 CO 0.07 -0.04 0.64 0.00 -1.14 0.00 0.00 176.83 176.36 3aet h ALA 219 N 1.02 1.25 -0.14 3.77 0.00 -1.85 0.12 119.26 123.43 3aet h ALA 219 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3aet h ALA 219 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3aet h ALA 219 CO -0.07 0.57 0.05 0.00 0.00 0.00 0.00 179.25 179.81 3aet h ALA 220 N 1.37 0.16 0.26 0.00 0.00 -1.05 -1.64 119.26 118.37 3aet h ALA 220 Ca 0.37 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3aet h ALA 220 Cb -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3aet h ALA 220 CO -0.10 -0.39 -0.20 0.00 0.00 0.00 0.00 179.25 178.56 3aet h ARG 221 N 0.13 -0.45 -0.72 0.00 3.08 -0.10 -1.74 114.38 114.57 3aet h ARG 221 Ca 0.06 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.25 3aet h ARG 221 Cb 0.03 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 3aet h ARG 221 CO -0.06 -0.30 0.48 1.25 -1.07 0.00 0.00 179.97 180.27 3aet h HIS 222 N -0.47 0.58 0.00 3.04 2.76 -0.68 0.48 115.15 120.86 3aet h HIS 222 Ca -0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3aet h HIS 222 Cb 0.42 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.19 3aet h HIS 222 CO -0.12 0.26 0.00 -0.07 -1.30 0.00 0.00 177.93 176.70 3aet h LEU 223 N 0.53 0.00 -0.84 0.26 3.38 -0.88 -1.47 115.31 116.29 3aet h LEU 223 Ca 0.34 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 3aet h LEU 223 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3aet h LEU 223 CO -0.12 0.00 -0.18 -0.08 0.09 0.00 0.00 178.44 178.15 3aet h GLU 224 N 0.00 0.66 0.00 1.13 4.81 0.00 -2.21 114.58 118.97 3aet h GLU 224 Ca 0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3aet h GLU 224 Cb 0.65 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3aet h GLU 224 CO 0.00 0.81 -0.00 0.00 -0.73 0.00 0.00 179.01 179.08 3aet h ARG 225 N 0.59 0.00 -0.66 1.92 -0.00 -1.47 -3.17 114.38 111.59 3aet h ARG 225 Ca 0.09 0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.63 3aet h ARG 225 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 30.53 3aet h ARG 225 CO 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 179.97 179.63 3aet n ALA 226 N -2.42 -0.42 -2.35 0.04 0.00 -0.57 -2.14 120.51 112.65 3aet n ALA 226 Ca -0.00 0.56 -0.16 0.00 0.00 0.00 0.00 53.44 53.84 3aet n ALA 226 Cb 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 19.45 19.47 3aet n ALA 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aet n LYS 228 N -0.63 -0.63 -3.71 0.00 2.85 -0.91 -4.91 118.16 110.22 3aet n LYS 228 Ca 0.30 -0.10 -0.37 0.00 -1.05 0.00 0.00 58.31 57.09 3aet n LYS 228 Cb 0.89 -1.47 -0.12 0.00 -0.65 0.00 0.00 35.03 33.68 3aet n LYS 228 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3aet s GLN 229 N -6.36 3.80 -0.09 -1.58 -0.21 -0.84 -4.99 119.66 109.39 3aet s GLN 229 Ca 0.23 -0.40 -0.26 0.00 0.02 0.00 0.00 55.36 54.94 3aet s GLN 229 Cb -0.13 -3.45 -0.02 0.00 1.00 0.00 0.00 33.01 30.41 3aet s GLN 229 CO 0.62 -0.14 0.85 -1.25 -2.12 0.00 0.00 175.29 173.25 3aet s PRO 230 N 1.56 4.42 0.01 2.91 0.04 -1.26 -3.66 135.00 139.02 3aet s PRO 230 Ca 0.06 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.08 3aet s PRO 230 Cb -0.15 -3.50 -0.06 0.00 0.04 0.00 0.00 34.50 30.83 3aet s PRO 230 CO 0.06 -0.13 0.41 -0.59 0.04 0.00 0.00 177.00 176.79 3aet s PHE 231 N 1.42 3.72 0.17 0.56 -0.12 -1.26 -2.08 117.98 120.40 3aet s PHE 231 Ca 0.43 0.99 -0.32 0.00 -0.05 0.00 0.00 56.93 57.98 3aet s PHE 231 Cb -0.18 -2.28 -0.11 0.00 -0.63 0.00 0.00 43.02 39.81 3aet s PHE 231 CO 0.19 0.64 1.74 0.95 -0.05 0.00 0.00 175.22 178.68 3aet s THR 232 N -1.10 2.30 -0.13 -4.49 -4.23 -0.04 -4.92 115.64 103.03 3aet s THR 232 Ca 0.24 0.10 0.19 0.00 -1.18 0.00 0.00 61.69 61.03 3aet s THR 232 Cb -0.17 -3.06 -0.17 0.00 1.34 0.00 0.00 72.50 70.45 3aet s THR 232 CO 0.14 0.00 0.70 0.29 -0.54 0.00 0.00 174.62 175.21 3aet n LYS 233 N 4.61 0.63 -3.08 3.99 4.01 -1.26 -3.96 118.16 123.11 3aet n LYS 233 Ca 0.16 0.11 -0.42 0.00 -0.51 0.00 0.00 58.31 57.64 3aet n LYS 233 Cb 0.37 -1.72 -0.06 0.00 -0.51 0.00 0.00 35.03 33.10 3aet n LYS 233 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3aet s ILE 234 N -3.03 4.83 -0.23 -0.18 1.01 -1.26 -5.05 121.20 117.28 3aet s ILE 234 Ca -0.04 0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.75 3aet s ILE 234 Cb 0.09 -4.16 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 3aet s ILE 234 CO 0.83 -0.48 0.87 -0.69 0.00 0.00 0.00 174.94 175.47 3aet s VAL 235 N 2.85 4.81 -1.19 2.92 1.01 -1.26 -4.71 120.40 124.82 3aet s VAL 235 Ca 0.25 1.67 -0.20 0.00 0.00 0.00 0.00 61.98 63.70 3aet s VAL 235 Cb -0.14 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3aet s VAL 235 CO 0.18 -0.09 1.92 -0.81 0.00 0.00 0.00 175.10 176.30 3aet n PRO 236 N 6.01 2.32 -4.04 2.72 -0.04 -1.26 -4.79 135.00 135.92 3aet n PRO 236 Ca 0.07 -2.65 -0.32 0.00 -0.04 0.00 0.00 63.50 60.56 3aet n PRO 236 Cb 0.47 -3.43 -0.15 0.00 -0.04 0.00 0.00 33.50 30.34 3aet n PRO 236 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3aet s ILE 237 N 6.40 1.94 0.00 0.52 1.01 -1.26 -1.91 121.20 127.89 3aet s ILE 237 Ca 0.58 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3aet s ILE 237 Cb 0.06 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.53 3aet s ILE 237 CO 0.08 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3aet n GLY 238 N 4.56 2.09 0.14 6.18 0.00 -1.26 -4.54 105.19 112.35 3aet n GLY 238 Ca -0.15 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 43.85 3aet n GLY 238 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3aet h VAL 239 N 0.00 0.30 -0.56 1.61 2.07 -1.95 -1.16 116.25 116.55 3aet h VAL 239 Ca 0.00 -0.97 0.10 0.00 0.82 0.00 0.00 66.70 66.65 3aet h VAL 239 Cb 0.00 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 30.19 3aet h VAL 239 CO 0.00 0.09 -0.32 1.23 0.02 0.00 0.00 177.57 178.59 3aet h GLY 240 N -1.03 -0.09 0.24 2.17 0.00 -1.99 0.41 103.07 102.79 3aet h GLY 240 Ca -0.03 0.41 0.13 0.00 0.00 0.00 0.00 47.33 47.84 3aet h GLY 240 CO 0.04 -0.21 0.30 0.00 0.00 0.00 0.00 176.54 176.68 3aet h ALA 241 N 1.01 1.01 -0.29 3.60 0.00 -1.80 -0.93 119.26 121.86 3aet h ALA 241 Ca 0.23 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 3aet h ALA 241 Cb 0.54 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3aet h ALA 241 CO -0.65 -0.17 -0.22 1.15 0.00 0.00 0.00 179.25 179.35 3aet h THR 242 N 0.47 1.30 -0.37 0.00 2.02 0.34 -0.85 112.91 115.82 3aet h THR 242 Ca 0.39 -1.37 0.03 0.00 0.77 0.00 0.00 66.41 66.23 3aet h THR 242 Cb 0.54 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3aet h THR 242 CO -0.36 0.44 0.18 0.03 0.37 0.00 0.00 175.52 176.17 3aet h ARG 243 N 0.41 0.35 -0.18 6.66 3.08 0.26 0.51 114.38 125.47 3aet h ARG 243 Ca 0.05 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3aet h ARG 243 Cb 0.78 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3aet h ARG 243 CO 0.06 0.23 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.63 3aet h ASP 244 N 0.36 0.27 -0.27 7.04 3.32 -1.11 0.24 116.42 126.28 3aet h ASP 244 Ca 0.16 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3aet h ASP 244 Cb 0.08 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3aet h ASP 244 CO -0.12 0.43 -0.14 0.15 -1.72 0.00 0.00 179.24 177.84 3aet h PHE 245 N 0.27 0.66 -0.73 4.55 3.57 -0.59 0.10 116.94 124.78 3aet h PHE 245 Ca 0.05 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 3aet h PHE 245 Cb 0.39 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3aet h PHE 245 CO 0.01 0.83 0.22 -0.07 -2.23 0.00 0.00 178.31 177.07 3aet h LEU 246 N 0.31 1.07 -0.43 0.59 3.38 -0.30 -1.04 115.31 118.90 3aet h LEU 246 Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3aet h LEU 246 Cb 0.66 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3aet h LEU 246 CO 0.04 0.99 0.21 0.00 0.09 0.00 0.00 178.44 179.77 3aet h ALA 247 N 1.11 0.55 -0.95 1.53 0.00 -0.88 -0.66 119.26 119.96 3aet h ALA 247 Ca 0.23 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3aet h ALA 247 Cb 0.31 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 3aet h ALA 247 CO -0.01 0.11 0.59 1.49 0.00 0.00 0.00 179.25 181.44 3aet h GLU 248 N 0.55 0.97 -0.47 0.00 4.81 -0.71 -0.72 114.58 119.02 3aet h GLU 248 Ca 0.15 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3aet h GLU 248 Cb 0.12 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3aet h GLU 248 CO -0.02 0.64 -0.06 0.28 -0.73 0.00 0.00 179.01 179.13 3aet h VAL 249 N 1.00 1.27 -0.43 0.32 2.07 -0.70 -1.83 116.25 117.95 3aet h VAL 249 Ca 0.45 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3aet h VAL 249 Cb 0.34 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3aet h VAL 249 CO -0.23 0.40 0.27 -1.28 0.02 0.00 0.00 177.57 176.76 3aet h SER 250 N 0.72 0.50 0.20 0.57 0.87 -0.37 0.11 113.55 116.14 3aet h SER 250 Ca 0.13 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 3aet h SER 250 Cb 0.59 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3aet h SER 250 CO 0.04 0.37 -0.47 0.50 -0.53 0.00 0.00 176.83 176.73 3aet h LYS 251 N 0.58 0.33 0.09 2.24 3.11 -0.83 0.18 116.57 122.26 3aet h LYS 251 Ca 0.16 -0.18 -0.27 0.00 -2.81 0.00 0.00 60.65 57.54 3aet h LYS 251 Cb -0.05 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 3aet h LYS 251 CO -0.03 0.74 -1.35 0.82 -2.81 0.00 0.00 179.45 176.82 3aet h ILE 252 N 0.27 1.35 0.00 2.00 2.04 -0.42 -3.38 117.51 119.36 3aet h ILE 252 Ca 0.02 -3.00 0.00 0.00 1.00 0.00 0.00 64.86 62.87 3aet h ILE 252 Cb 0.93 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 3aet h ILE 252 CO 0.08 0.85 -1.18 0.35 0.00 0.00 0.00 178.15 178.24 3aet n THR 253 N -3.42 0.00 0.00 -0.27 -2.24 0.27 -4.99 114.28 103.63 3aet n THR 253 Ca -0.11 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3aet n THR 253 Cb 1.02 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3aet n THR 253 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3aet n GLY 254 N 1.50 3.09 3.77 3.38 0.00 0.62 -5.03 105.19 112.52 3aet n GLY 254 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3aet n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aet s LEU 255 N 0.00 4.19 0.25 0.99 1.43 -1.23 -4.93 118.68 119.38 3aet s LEU 255 Ca 0.00 2.54 -0.30 0.00 -1.03 0.00 0.00 54.13 55.34 3aet s LEU 255 Cb 0.00 -3.96 -0.10 0.00 0.03 0.00 0.00 46.19 42.16 3aet s LEU 255 CO 0.00 -0.82 1.39 -2.16 0.23 0.00 0.00 176.35 174.99 3aet s PRO 256 N -2.29 4.31 -0.41 1.29 0.04 -1.26 -4.37 135.00 132.31 3aet s PRO 256 Ca 0.58 2.23 -0.28 0.00 0.04 0.00 0.00 61.00 63.56 3aet s PRO 256 Cb -0.35 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 3aet s PRO 256 CO 0.45 -0.35 1.58 0.54 0.04 0.00 0.00 177.00 179.26 3aet s VAL 257 N -0.13 3.70 -0.10 -0.36 0.11 -1.26 -4.92 120.40 117.44 3aet s VAL 257 Ca 0.57 0.69 -0.00 0.00 -2.93 0.00 0.00 61.98 60.31 3aet s VAL 257 Cb -0.40 -4.02 -0.02 0.00 -1.53 0.00 0.00 36.38 30.40 3aet s VAL 257 CO 0.43 -0.70 -0.09 0.68 -3.33 0.00 0.00 175.10 172.10 3aet s VAL 258 N 6.26 3.48 -0.02 2.04 -7.23 -1.26 -5.13 120.40 118.54 3aet s VAL 258 Ca 0.67 -0.53 0.04 0.00 -1.81 0.00 0.00 61.98 60.35 3aet s VAL 258 Cb -0.16 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 3aet s VAL 258 CO 0.31 0.55 -0.16 0.42 -0.31 0.00 0.00 175.10 175.92 3aet s THR 259 N -0.20 1.26 -0.84 5.32 -4.23 -1.26 -4.40 115.64 111.29 3aet s THR 259 Ca 0.02 -0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 3aet s THR 259 Cb -0.13 -1.07 0.21 0.00 1.34 0.00 0.00 72.50 72.86 3aet s THR 259 CO 0.03 0.36 0.80 -0.62 -0.54 0.00 0.00 174.62 174.65 3aet s ASP 260 N -0.18 6.76 -0.13 3.99 2.15 -1.26 -4.92 116.67 123.07 3aet s ASP 260 Ca 0.02 -2.64 0.10 0.00 0.43 0.00 0.00 52.55 50.46 3aet s ASP 260 Cb -0.08 -2.23 0.53 0.00 -0.30 0.00 0.00 42.92 40.84 3aet s ASP 260 CO 0.00 -0.61 1.34 -0.62 -0.17 0.00 0.00 175.17 175.11 3aet n GLU 261 N 4.19 3.35 0.09 4.34 1.02 -1.26 -4.44 120.64 127.93 3aet n GLU 261 Ca 0.15 -2.06 0.13 0.00 -0.02 0.00 0.00 57.16 55.36 3aet n GLU 261 Cb 0.47 -1.90 0.45 0.00 -0.02 0.00 0.00 31.44 30.44 3aet n GLU 261 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3aet n SER 262 N 0.52 0.62 -0.01 1.62 3.41 -1.26 -2.92 113.62 115.60 3aet n SER 262 Ca 0.18 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 3aet n SER 262 Cb 0.80 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3aet n SER 262 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3aet n THR 263 N -2.10 0.00 -1.87 6.66 -2.24 -1.26 -4.97 114.28 108.49 3aet n THR 263 Ca 0.05 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 3aet n THR 263 Cb 0.36 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 3aet n THR 263 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3aet s LEU 264 N -0.60 3.23 -0.01 3.22 0.20 -1.15 -4.84 118.68 118.73 3aet s LEU 264 Ca 0.00 0.21 0.19 0.00 0.69 0.00 0.00 54.13 55.22 3aet s LEU 264 Cb 0.00 -2.53 -0.24 0.00 -0.43 0.00 0.00 46.19 42.98 3aet s LEU 264 CO 0.00 -2.79 0.63 0.54 -0.29 0.00 0.00 176.35 174.45 3aet n ARG 265 N 9.02 0.74 -0.20 1.98 1.74 -1.26 -4.61 116.66 124.06 3aet n ARG 265 Ca 0.32 -0.08 -0.00 0.00 -0.77 0.00 0.00 57.85 57.33 3aet n ARG 265 Cb 0.50 -1.41 0.11 0.00 -1.02 0.00 0.00 32.46 30.64 3aet n ARG 265 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3aet h GLN 266 N 0.00 0.41 -0.61 5.56 -0.00 -1.88 -2.00 115.11 116.59 3aet h GLN 266 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 3aet h GLN 266 Cb 0.63 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.99 3aet h GLN 266 CO 0.00 0.27 0.36 -1.35 0.00 0.00 0.00 178.83 178.11 3aet h PRO 267 N 0.42 0.84 -0.23 -2.39 0.11 -1.95 -1.21 132.00 127.59 3aet h PRO 267 Ca 0.31 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 3aet h PRO 267 Cb 0.37 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 3aet h PRO 267 CO -0.30 0.62 -0.19 2.35 -0.21 0.00 0.00 178.00 180.26 3aet h TRP 268 N 0.83 0.63 -0.46 0.65 2.91 -1.84 -0.32 115.95 118.36 3aet h TRP 268 Ca 0.22 -0.18 0.06 0.00 1.13 0.00 0.00 58.89 60.12 3aet h TRP 268 Cb 0.00 -0.14 -0.09 0.00 -0.51 0.00 0.00 29.16 28.43 3aet h TRP 268 CO -0.02 0.86 -0.51 -1.49 -1.03 0.00 0.00 178.44 176.25 3aet h TRP 269 N 0.23 -1.53 0.00 2.65 6.55 -1.04 0.30 115.95 123.11 3aet h TRP 269 Ca 0.04 0.08 0.00 0.00 0.95 0.00 0.00 58.89 59.96 3aet h TRP 269 Cb 0.73 0.73 0.00 0.00 -0.86 0.00 0.00 29.16 29.77 3aet h TRP 269 CO 0.07 -0.46 0.00 0.66 -1.05 0.00 0.00 178.44 177.66 3aet h SER 270 N -0.34 0.00 1.81 -3.49 4.64 -1.19 -2.13 113.55 112.84 3aet h SER 270 Ca 0.11 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3aet h SER 270 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3aet h SER 270 CO -0.62 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.24 3aet h ALA 271 N 2.03 0.94 -2.37 5.18 0.00 0.34 -3.44 119.26 121.95 3aet h ALA 271 Ca 0.00 -0.09 -0.46 0.00 0.00 0.00 0.00 54.91 54.36 3aet h ALA 271 Cb 0.58 -0.02 0.15 0.00 0.00 0.00 0.00 17.79 18.50 3aet h ALA 271 CO 0.00 0.12 0.22 -1.54 0.00 0.00 0.00 179.25 178.05 3aet s SER 272 N -6.22 2.93 0.29 0.00 1.04 0.91 -4.95 113.70 107.72 3aet s SER 272 Ca 0.06 1.24 0.15 0.00 0.48 0.00 0.00 55.95 57.88 3aet s SER 272 Cb 0.06 -1.90 0.31 0.00 0.10 0.00 0.00 66.02 64.58 3aet s SER 272 CO 0.67 -2.94 1.56 0.58 0.98 0.00 0.00 173.24 174.09 3aet h VAL 273 N -1.76 1.06 0.00 5.02 2.07 -1.90 -2.50 116.25 118.23 3aet h VAL 273 Ca -0.53 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 64.88 3aet h VAL 273 Cb 1.32 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 3aet h VAL 273 CO 0.57 0.53 0.00 -0.90 0.02 0.00 0.00 177.57 177.79 3aet n ASP 274 N -3.43 0.00 -0.28 0.57 3.85 -1.26 -2.39 116.55 113.61 3aet n ASP 274 Ca 0.00 -0.63 0.13 0.00 -0.71 0.00 0.00 54.79 53.59 3aet n ASP 274 Cb 0.66 -0.11 0.42 0.00 -1.35 0.00 0.00 41.12 40.74 3aet n ASP 274 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3aet n SER 275 N -1.11 1.07 -0.25 -1.12 7.64 -0.94 -4.40 113.62 114.51 3aet n SER 275 Ca 0.19 -0.98 -0.05 0.00 1.01 0.00 0.00 58.87 59.04 3aet n SER 275 Cb 0.15 0.09 0.05 0.00 -1.01 0.00 0.00 64.21 63.50 3aet n SER 275 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3aet h THR 276 N 1.37 1.19 0.00 0.44 2.02 -1.59 -2.26 112.91 114.08 3aet h THR 276 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3aet h THR 276 Cb 0.49 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3aet h THR 276 CO 0.00 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.08 3aet n TYR 277 N -4.57 0.00 0.22 3.16 0.18 -1.26 -2.17 117.16 112.71 3aet n TYR 277 Ca 0.06 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.92 3aet n TYR 277 Cb 0.04 -0.17 0.51 0.00 -0.38 0.00 0.00 39.34 39.33 3aet n TYR 277 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3aet h LEU 278 N 0.00 0.00 -8.77 -3.48 3.38 -1.69 -3.45 115.31 101.30 3aet h LEU 278 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 3aet h LEU 278 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3aet h LEU 278 CO 0.00 0.25 1.23 0.41 0.09 0.00 0.00 178.44 180.42 3aet n THR 279 N -3.71 0.26 -3.65 0.22 -1.04 -0.92 -1.95 114.28 103.49 3aet n THR 279 Ca -0.01 -0.17 -0.23 0.00 -2.04 0.00 0.00 64.05 61.60 3aet n THR 279 Cb 0.36 -1.49 0.06 0.00 -1.82 0.00 0.00 70.33 67.45 3aet n THR 279 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3aet n GLY 280 N 5.69 -0.43 3.78 3.41 0.00 0.50 -4.96 105.19 113.17 3aet n GLY 280 Ca 0.36 0.17 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 3aet n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aet s LYS 281 N -6.05 4.50 -0.28 1.61 1.02 -0.82 -4.52 119.74 115.20 3aet s LYS 281 Ca 0.31 1.08 -0.29 0.00 0.02 0.00 0.00 55.97 57.09 3aet s LYS 281 Cb -0.15 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3aet s LYS 281 CO 0.77 0.54 1.14 1.03 -0.92 0.00 0.00 175.35 177.91 3aet s ARG 282 N -0.97 4.09 -0.07 1.68 0.52 -1.26 -2.00 118.95 120.94 3aet s ARG 282 Ca 0.35 1.24 0.02 0.00 -0.52 0.00 0.00 55.73 56.82 3aet s ARG 282 Cb -0.22 -3.75 -0.03 0.00 0.52 0.00 0.00 34.95 31.47 3aet s ARG 282 CO 0.25 -0.87 -0.11 0.54 0.02 0.00 0.00 175.30 175.12 3aet s VAL 283 N 3.70 3.32 -0.15 3.52 0.11 -0.30 0.11 120.40 130.71 3aet s VAL 283 Ca 0.49 -0.61 -0.06 0.00 -2.93 0.00 0.00 61.98 58.87 3aet s VAL 283 Cb -0.15 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 3aet s VAL 283 CO 0.15 0.58 0.04 0.12 -3.33 0.00 0.00 175.10 172.66 3aet s PHE 284 N -0.57 3.23 -0.12 1.54 5.36 -0.37 0.75 117.98 127.80 3aet s PHE 284 Ca 0.08 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 3aet s PHE 284 Cb -0.12 -1.99 -0.00 0.00 -0.34 0.00 0.00 43.02 40.57 3aet s PHE 284 CO 0.02 0.24 -0.19 0.42 -1.46 0.00 0.00 175.22 174.24 3aet s ILE 285 N -0.01 2.44 0.05 3.12 1.01 -0.19 -1.72 121.20 125.89 3aet s ILE 285 Ca 0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 3aet s ILE 285 Cb -0.12 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3aet s ILE 285 CO 0.01 0.54 -0.01 0.12 0.00 0.00 0.00 174.94 175.60 3aet s PHE 286 N 0.47 0.43 -5.00 3.97 2.19 0.18 -2.27 117.98 117.96 3aet s PHE 286 Ca -0.13 -0.91 0.00 0.00 0.33 0.00 0.00 56.93 56.22 3aet s PHE 286 Cb -0.17 -0.32 0.00 0.00 -1.31 0.00 0.00 43.02 41.22 3aet s PHE 286 CO 0.05 -0.35 0.00 0.41 1.83 0.00 0.00 175.22 177.16 3aet n GLY 287 N 0.42 0.06 3.77 13.12 0.00 -1.16 -3.72 105.19 117.68 3aet n GLY 287 Ca -0.16 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 3aet n GLY 287 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3aet s ASP 288 N -4.00 6.81 0.21 1.61 3.84 -1.26 -3.22 116.67 120.66 3aet s ASP 288 Ca 0.00 2.31 -0.07 0.00 -0.00 0.00 0.00 52.55 54.79 3aet s ASP 288 Cb 0.00 -2.62 0.33 0.00 -1.38 0.00 0.00 42.92 39.26 3aet s ASP 288 CO 0.00 -0.47 1.22 0.61 -0.00 0.00 0.00 175.17 176.53 3aet n GLY 289 N 0.77 -1.36 0.27 2.12 0.00 -1.26 -2.01 105.19 103.73 3aet n GLY 289 Ca 0.02 0.84 -0.12 0.00 0.00 0.00 0.00 46.02 46.76 3aet n GLY 289 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3aet h THR 290 N 0.00 1.27 0.00 2.61 2.02 -1.95 -3.01 112.91 113.86 3aet h THR 290 Ca 0.36 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 3aet h THR 290 Cb 0.55 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3aet h THR 290 CO -0.80 0.48 -0.03 0.45 0.37 0.00 0.00 175.52 175.99 3aet h HIS 291 N 0.77 0.00 0.15 3.16 3.86 -1.73 -2.45 115.15 118.91 3aet h HIS 291 Ca 0.09 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.10 3aet h HIS 291 Cb 0.82 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.31 3aet h HIS 291 CO 0.06 0.03 -0.90 0.28 0.86 0.00 0.00 177.93 178.25 3aet h VAL 292 N 0.00 1.47 -0.52 2.45 2.07 -1.42 -1.76 116.25 118.53 3aet h VAL 292 Ca -0.00 -2.55 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 3aet h VAL 292 Cb 0.66 3.17 -0.03 0.00 -1.52 0.00 0.00 31.29 33.57 3aet h VAL 292 CO 0.00 0.73 0.25 0.40 0.02 0.00 0.00 177.57 178.97 3aet h ILE 293 N -0.32 1.17 0.05 4.57 2.04 -1.49 -2.16 117.51 121.38 3aet h ILE 293 Ca -0.16 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3aet h ILE 293 Cb 1.70 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3aet h ILE 293 CO 0.16 0.20 -0.03 0.00 0.00 0.00 0.00 178.15 178.49 3aet h ALA 294 N 1.55 -0.07 -0.92 1.87 0.00 -1.49 -3.21 119.26 116.98 3aet h ALA 294 Ca 0.18 -0.28 0.19 0.00 0.00 0.00 0.00 54.91 55.01 3aet h ALA 294 Cb 0.07 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.78 3aet h ALA 294 CO -0.03 -0.24 0.49 0.00 0.00 0.00 0.00 179.25 179.48 3aet h ALA 295 N 0.20 1.49 -0.17 0.00 0.00 -1.23 -2.62 119.26 116.94 3aet h ALA 295 Ca -0.01 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3aet h ALA 295 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3aet h ALA 295 CO 0.01 -0.18 -0.67 0.00 0.00 0.00 0.00 179.25 178.42 3aet h ALA 296 N 1.65 0.51 -0.25 0.00 0.00 -1.43 0.36 119.26 120.10 3aet h ALA 296 Ca 0.55 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3aet h ALA 296 Cb 0.92 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3aet h ALA 296 CO -0.43 0.70 0.09 -0.09 0.00 0.00 0.00 179.25 179.52 3aet h ARG 297 N 0.47 0.38 0.82 0.00 2.43 -1.48 -1.80 114.38 115.21 3aet h ARG 297 Ca -0.02 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3aet h ARG 297 Cb 1.26 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3aet h ARG 297 CO 0.13 0.45 -0.49 0.82 -1.51 0.00 0.00 179.97 179.37 3aet h ILE 298 N 0.24 0.02 -0.91 1.20 2.04 -1.21 0.17 117.51 119.06 3aet h ILE 298 Ca 0.08 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.10 3aet h ILE 298 Cb 0.22 0.02 -0.16 0.00 -0.74 0.00 0.00 36.82 36.16 3aet h ILE 298 CO -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 178.15 177.85 3aet n ALA 299 N -2.72 0.03 0.03 1.87 0.00 0.12 0.09 120.51 119.94 3aet n ALA 299 Ca -0.15 0.95 -0.22 0.00 0.00 0.00 0.00 53.44 54.02 3aet n ALA 299 Cb 0.51 -0.49 -0.14 0.00 0.00 0.00 0.00 19.45 19.32 3aet n ALA 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aet h ALA 300 N 1.50 0.34 0.00 0.00 0.00 -1.23 0.70 119.26 120.57 3aet h ALA 300 Ca 0.37 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3aet h ALA 300 Cb 0.60 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3aet h ALA 300 CO -0.92 1.22 -1.50 1.63 0.00 0.00 0.00 179.25 179.68 3aet n LYS 301 N -3.52 0.80 -0.01 0.00 4.76 0.58 -3.71 118.16 117.07 3aet n LYS 301 Ca -0.29 -0.11 0.01 0.00 -2.87 0.00 0.00 58.31 55.05 3aet n LYS 301 Cb 1.06 -1.35 -0.05 0.00 -1.84 0.00 0.00 35.03 32.85 3aet n LYS 301 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3aet n GLU 302 N -1.90 1.11 -0.02 1.97 1.02 0.11 -4.76 120.64 118.17 3aet n GLU 302 Ca -0.02 -0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.07 3aet n GLU 302 Cb 0.38 -1.17 -0.06 0.00 -0.02 0.00 0.00 31.44 30.57 3aet n GLU 302 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3aet n VAL 303 N -1.91 0.31 -1.89 2.62 0.31 -0.40 -4.89 118.33 112.49 3aet n VAL 303 Ca -0.04 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3aet n VAL 303 Cb 0.36 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 3aet n VAL 303 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3aet n GLY 304 N 2.37 0.55 3.88 2.92 0.00 -0.84 -4.67 105.19 109.40 3aet n GLY 304 Ca -0.08 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 3aet n GLY 304 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3aet s PHE 305 N -2.10 3.59 -0.39 1.61 0.08 0.24 0.19 117.98 121.19 3aet s PHE 305 Ca 0.00 1.13 -0.17 0.00 0.12 0.00 0.00 56.93 58.02 3aet s PHE 305 Cb 0.00 -2.63 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 3aet s PHE 305 CO 0.00 -0.61 0.42 -2.00 -0.10 0.00 0.00 175.22 172.93 3aet s GLU 306 N -5.07 3.30 -0.07 0.44 2.12 -0.85 -3.92 118.70 114.65 3aet s GLU 306 Ca 0.53 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 54.97 3aet s GLU 306 Cb -0.11 -3.90 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 3aet s GLU 306 CO 0.51 -0.72 1.57 0.08 -0.54 0.00 0.00 175.26 176.16 3aet s VAL 307 N 2.11 3.72 -0.30 3.70 1.01 -1.26 -1.14 120.40 128.24 3aet s VAL 307 Ca 0.12 0.88 0.06 0.00 0.00 0.00 0.00 61.98 63.05 3aet s VAL 307 Cb -0.17 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 3aet s VAL 307 CO 0.13 -0.08 0.27 0.55 0.00 0.00 0.00 175.10 175.97 3aet n VAL 308 N 5.44 0.00 -3.55 2.92 3.14 0.23 -4.89 118.33 121.62 3aet n VAL 308 Ca 0.16 -0.34 -0.17 0.00 -2.96 0.00 0.00 64.34 61.03 3aet n VAL 308 Cb 0.43 0.99 -0.06 0.00 -1.06 0.00 0.00 33.84 34.13 3aet n VAL 308 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3aet s GLY 309 N -1.63 -0.55 -0.18 7.55 0.00 -1.19 -4.85 107.32 106.46 3aet s GLY 309 Ca 0.02 1.37 -0.10 0.00 0.00 0.00 0.00 44.72 46.01 3aet s GLY 309 CO 0.27 1.03 0.44 1.06 0.00 0.00 0.00 173.10 175.89 3aet s MET 310 N -0.97 0.43 -0.01 2.90 -1.94 -1.25 -1.03 119.30 117.43 3aet s MET 310 Ca -0.10 0.83 -0.30 0.00 -1.71 0.00 0.00 55.69 54.41 3aet s MET 310 Cb -0.01 0.01 0.11 0.00 2.01 0.00 0.00 34.83 36.95 3aet s MET 310 CO 0.08 -0.15 1.15 0.20 -0.01 0.00 0.00 175.02 176.29 3aet s GLY 311 N 1.35 -0.35 0.13 -0.03 0.00 -0.96 -0.41 107.32 107.06 3aet s GLY 311 Ca -0.09 0.80 -0.09 0.00 0.00 0.00 0.00 44.72 45.33 3aet s GLY 311 CO -0.13 0.21 0.26 0.00 0.00 0.00 0.00 173.10 173.44 3aet n TYR 313 N -0.16 0.44 -2.59 0.00 4.11 -1.20 -2.00 117.16 115.76 3aet n TYR 313 Ca -0.11 0.13 -0.41 0.00 -0.00 0.00 0.00 57.90 57.51 3aet n TYR 313 Cb 0.63 -0.73 -0.03 0.00 -0.00 0.00 0.00 39.34 39.20 3aet n TYR 313 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 3aet s ASN 314 N -4.96 6.22 0.52 9.48 2.47 -1.26 -4.41 114.94 123.00 3aet s ASN 314 Ca -0.05 -0.68 0.27 0.00 0.42 0.00 0.00 52.86 52.81 3aet s ASN 314 Cb 0.12 -2.54 1.42 0.00 -1.45 0.00 0.00 41.25 38.80 3aet s ASN 314 CO 0.85 -1.74 2.07 -0.09 -3.72 0.00 0.00 177.10 174.47 3aet h ARG 315 N 9.93 0.00 -0.78 0.43 2.43 -1.95 -2.46 114.38 121.97 3aet h ARG 315 Ca -0.20 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.20 3aet h ARG 315 Cb 1.05 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 3aet h ARG 315 CO 1.29 0.12 0.60 0.93 -1.51 0.00 0.00 179.97 181.40 3aet h GLU 316 N 0.00 0.00 -0.36 0.20 3.07 -2.00 -1.94 114.58 113.55 3aet h GLU 316 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3aet h GLU 316 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3aet h GLU 316 CO 0.02 0.00 0.00 -0.12 -1.40 0.00 0.00 179.01 177.51 3aet n MET 317 N -4.17 3.02 -0.02 2.33 1.56 -0.93 -4.75 117.12 114.16 3aet n MET 317 Ca 0.16 -2.47 0.07 0.00 -0.27 0.00 0.00 57.70 55.19 3aet n MET 317 Cb 0.88 -1.57 0.46 0.00 2.15 0.00 0.00 33.22 35.14 3aet n MET 317 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3aet h ALA 318 N 2.23 1.83 0.03 -5.12 0.00 -1.47 -2.40 119.26 114.37 3aet h ALA 318 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3aet h ALA 318 Cb 1.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3aet h ALA 318 CO 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.46 3aet h ARG 319 N 0.48 -0.04 -0.92 0.00 -0.00 -1.85 0.35 114.38 112.39 3aet h ARG 319 Ca 0.19 0.00 0.29 0.00 -0.50 0.00 0.00 59.98 59.97 3aet h ARG 319 Cb 0.16 0.01 -0.17 0.00 0.00 0.00 0.00 29.97 29.97 3aet h ARG 319 CO -0.05 0.60 0.15 -2.30 0.00 0.00 0.00 179.97 178.37 3aet n PRO 320 N -4.73 -0.07 0.11 0.04 -0.02 -1.15 -1.42 135.00 127.77 3aet n PRO 320 Ca -0.07 1.35 -0.11 0.00 -2.02 0.00 0.00 63.50 62.65 3aet n PRO 320 Cb 0.32 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 3aet n PRO 320 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3aet h LEU 321 N 0.00 -0.28 -1.15 2.45 5.85 -1.37 -2.49 115.31 118.32 3aet h LEU 321 Ca 0.62 -0.24 0.21 0.00 0.84 0.00 0.00 57.88 59.31 3aet h LEU 321 Cb 1.41 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.41 3aet h LEU 321 CO -0.83 0.20 0.62 0.03 -0.34 0.00 0.00 178.44 178.12 3aet h ARG 322 N -0.89 0.62 0.62 1.25 3.08 -0.44 0.37 114.38 118.99 3aet h ARG 322 Ca -0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3aet h ARG 322 Cb 0.51 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.42 3aet h ARG 322 CO 0.06 0.41 -0.30 1.15 -1.07 0.00 0.00 179.97 180.22 3aet h THR 323 N 0.64 0.00 -0.28 2.04 2.02 -1.28 -2.72 112.91 113.33 3aet h THR 323 Ca 0.57 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.73 3aet h THR 323 Cb 1.05 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 3aet h THR 323 CO -0.34 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.39 3aet h ALA 324 N -1.54 0.04 -0.64 6.16 0.00 -0.77 -2.35 119.26 120.16 3aet h ALA 324 Ca -0.09 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.06 3aet h ALA 324 Cb 0.64 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 3aet h ALA 324 CO 0.14 -0.57 -0.08 0.00 0.00 0.00 0.00 179.25 178.74 3aet h ALA 325 N 1.05 0.53 -0.62 0.00 0.00 -0.39 -0.19 119.26 119.64 3aet h ALA 325 Ca 0.15 0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.41 3aet h ALA 325 Cb 0.36 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 3aet h ALA 325 CO -0.36 -0.42 0.05 0.00 0.00 0.00 0.00 179.25 178.52 3aet h ALA 326 N 1.62 0.67 0.00 0.00 0.00 -0.95 0.11 119.26 120.71 3aet h ALA 326 Ca 0.32 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3aet h ALA 326 Cb 0.52 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3aet h ALA 326 CO -0.61 -0.37 0.15 0.39 0.00 0.00 0.00 179.25 178.80 3aet n GLU 327 N -5.23 0.06 -0.32 0.00 1.02 -0.09 0.12 120.64 116.21 3aet n GLU 327 Ca 0.09 0.51 0.08 0.00 -0.02 0.00 0.00 57.16 57.83 3aet n GLU 327 Cb 0.36 -1.86 0.25 0.00 -0.02 0.00 0.00 31.44 30.17 3aet n GLU 327 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3aet n TYR 328 N -1.82 0.81 -2.53 -0.32 4.02 0.34 -4.94 117.16 112.73 3aet n TYR 328 Ca -0.01 -0.54 -0.13 0.00 -0.01 0.00 0.00 57.90 57.21 3aet n TYR 328 Cb 0.16 -0.07 0.01 0.00 -0.02 0.00 0.00 39.34 39.43 3aet n TYR 328 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3aet n GLY 329 N 0.91 -0.10 3.14 2.72 0.00 0.32 -5.01 105.19 107.18 3aet n GLY 329 Ca 0.19 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 3aet n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aet s LEU 330 N -4.03 2.23 -0.41 0.99 1.02 -0.87 -4.99 118.68 112.61 3aet s LEU 330 Ca 0.11 -0.54 -0.17 0.00 0.02 0.00 0.00 54.13 53.56 3aet s LEU 330 Cb -0.05 -0.50 0.02 0.00 0.02 0.00 0.00 46.19 45.69 3aet s LEU 330 CO 0.14 -0.05 0.41 -0.70 0.02 0.00 0.00 176.35 176.17 3aet s GLU 331 N -1.46 3.12 0.70 1.70 2.12 -1.26 -2.22 118.70 121.39 3aet s GLU 331 Ca -0.02 -0.77 -0.16 0.00 0.36 0.00 0.00 54.97 54.38 3aet s GLU 331 Cb -0.09 -3.96 -0.05 0.00 0.26 0.00 0.00 34.13 30.30 3aet s GLU 331 CO 0.02 -0.81 0.51 0.00 -0.54 0.00 0.00 175.26 174.43 3aet n ALA 332 N 5.53 -1.50 -3.96 6.30 0.00 -1.26 -4.73 120.51 120.88 3aet n ALA 332 Ca -0.08 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.83 3aet n ALA 332 Cb 0.47 -1.84 -0.14 0.00 0.00 0.00 0.00 19.45 17.94 3aet n ALA 332 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3aet s LEU 333 N 0.02 4.46 -0.45 0.00 1.98 0.46 -4.95 118.68 120.20 3aet s LEU 333 Ca 0.66 -1.89 -0.15 0.00 -2.89 0.00 0.00 54.13 49.86 3aet s LEU 333 Cb -0.36 -1.65 0.05 0.00 0.66 0.00 0.00 46.19 44.90 3aet s LEU 333 CO 0.58 -0.35 0.36 -0.63 -1.89 0.00 0.00 176.35 174.41 3aet s ILE 334 N 1.01 5.20 -0.07 6.68 -1.09 -1.26 -2.04 121.20 129.63 3aet s ILE 334 Ca 0.05 -0.94 -0.17 0.00 -2.23 0.00 0.00 60.65 57.36 3aet s ILE 334 Cb -0.20 -4.03 0.04 0.00 -1.58 0.00 0.00 42.46 36.68 3aet s ILE 334 CO -0.06 -0.48 0.39 0.28 -1.23 0.00 0.00 174.94 173.84 3aet s THR 335 N 1.65 0.03 -0.78 2.92 -1.32 -0.85 -5.00 115.64 112.29 3aet s THR 335 Ca 0.04 -0.25 0.12 0.00 -1.21 0.00 0.00 61.69 60.39 3aet s THR 335 Cb -0.22 -0.66 -0.09 0.00 -1.51 0.00 0.00 72.50 70.02 3aet s THR 335 CO 0.08 -0.14 0.59 -0.90 -2.21 0.00 0.00 174.62 172.04 3aet n ASP 336 N 1.75 0.86 -4.67 8.08 5.68 -1.26 -3.46 116.55 123.53 3aet n ASP 336 Ca -0.18 -0.93 -0.43 0.00 -0.50 0.00 0.00 54.79 52.75 3aet n ASP 336 Cb 0.56 0.82 -0.02 0.00 -1.14 0.00 0.00 41.12 41.34 3aet n ASP 336 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3aet s ASP 337 N -1.96 6.97 0.40 -1.12 -1.08 -1.26 -4.61 116.67 114.01 3aet s ASP 337 Ca 0.07 1.72 0.21 0.00 -0.52 0.00 0.00 52.55 54.02 3aet s ASP 337 Cb 0.10 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.76 3aet s ASP 337 CO 0.44 -0.72 1.76 0.10 0.52 0.00 0.00 175.17 177.27 3aet h TYR 338 N 8.00 0.00 0.00 -5.34 -0.00 -1.92 -2.84 116.97 114.87 3aet h TYR 338 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.40 3aet h TYR 338 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.84 3aet h TYR 338 CO 0.78 0.32 -0.21 -0.07 -0.00 0.00 0.00 178.16 178.98 3aet h LEU 339 N 0.00 0.00 -0.09 0.10 3.38 -1.99 -0.75 115.31 115.96 3aet h LEU 339 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3aet h LEU 339 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3aet h LEU 339 CO 0.04 0.21 -0.05 -0.33 0.09 0.00 0.00 178.44 178.40 3aet h GLU 340 N 0.00 0.19 -0.68 1.13 4.39 -1.91 -2.71 114.58 114.99 3aet h GLU 340 Ca -0.00 -0.08 0.11 0.00 0.34 0.00 0.00 59.36 59.73 3aet h GLU 340 Cb 0.45 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.01 3aet h GLU 340 CO 0.03 0.55 0.27 0.28 -1.16 0.00 0.00 179.01 178.98 3aet h VAL 341 N -0.19 0.74 -0.95 3.13 2.07 -1.28 0.18 116.25 119.96 3aet h VAL 341 Ca 0.02 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3aet h VAL 341 Cb 0.50 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3aet h VAL 341 CO 0.01 0.08 0.62 -0.08 0.02 0.00 0.00 177.57 178.23 3aet h GLU 342 N 0.45 1.17 -0.14 1.57 4.81 -1.21 -0.15 114.58 121.08 3aet h GLU 342 Ca 0.35 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3aet h GLU 342 Cb 0.46 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3aet h GLU 342 CO -0.33 0.77 -0.10 0.87 -0.73 0.00 0.00 179.01 179.49 3aet h LYS 343 N 1.20 0.32 -0.62 1.92 1.79 -0.55 -2.43 116.57 118.21 3aet h LYS 343 Ca 0.38 -0.15 0.04 0.00 -2.18 0.00 0.00 60.65 58.73 3aet h LYS 343 Cb -0.00 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 3aet h LYS 343 CO -0.12 0.68 0.36 0.00 -1.08 0.00 0.00 179.45 179.29 3aet h ALA 344 N 0.64 0.80 -0.80 3.86 0.00 -0.52 -0.54 119.26 122.70 3aet h ALA 344 Ca 0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3aet h ALA 344 Cb 0.60 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3aet h ALA 344 CO 0.03 0.08 0.40 0.82 0.00 0.00 0.00 179.25 180.57 3aet h ILE 345 N 0.70 1.25 -0.44 0.00 2.04 -1.04 0.16 117.51 120.18 3aet h ILE 345 Ca 0.26 -0.67 -0.10 0.00 1.00 0.00 0.00 64.86 65.35 3aet h ILE 345 Cb 0.08 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3aet h ILE 345 CO -0.13 0.29 -0.11 -0.08 0.00 0.00 0.00 178.15 178.13 3aet h GLU 346 N 1.14 0.84 0.38 2.37 4.81 -0.92 0.13 114.58 123.33 3aet h GLU 346 Ca 0.28 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3aet h GLU 346 Cb 0.09 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3aet h GLU 346 CO -0.04 0.95 -0.18 0.00 -0.73 0.00 0.00 179.01 179.01 3aet h ALA 347 N 0.86 -0.51 -0.12 2.92 0.00 -0.86 -2.99 119.26 118.56 3aet h ALA 347 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3aet h ALA 347 Cb 0.64 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3aet h ALA 347 CO 0.04 -0.76 0.08 0.00 0.00 0.00 0.00 179.25 178.61 3aet h ALA 348 N 0.03 1.91 -6.33 0.00 0.00 -0.67 -3.47 119.26 110.72 3aet h ALA 348 Ca -0.05 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.39 3aet h ALA 348 Cb 0.43 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.20 3aet h ALA 348 CO 0.09 0.08 -0.91 0.00 0.00 0.00 0.00 179.25 178.50 3aet n ALA 349 N -2.52 -2.31 -1.33 0.00 0.00 0.45 -4.96 120.51 109.84 3aet n ALA 349 Ca -0.01 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 3aet n ALA 349 Cb 0.08 -2.91 0.14 0.00 0.00 0.00 0.00 19.45 16.76 3aet n ALA 349 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3aet s PRO 350 N -6.24 1.14 0.00 0.00 0.04 -1.26 -4.97 135.00 123.71 3aet s PRO 350 Ca 0.26 0.58 0.22 0.00 0.04 0.00 0.00 61.00 62.10 3aet s PRO 350 Cb -0.09 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 3aet s PRO 350 CO 0.87 -2.26 1.05 0.39 0.04 0.00 0.00 177.00 177.09 3aet n GLU 351 N -3.86 0.36 -3.66 4.56 1.02 0.29 -4.92 120.64 114.43 3aet n GLU 351 Ca 0.06 -0.29 -0.09 0.00 -0.02 0.00 0.00 57.16 56.83 3aet n GLU 351 Cb 0.57 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.41 3aet n GLU 351 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3aet s LEU 352 N -2.84 -0.56 -0.07 -4.62 2.96 -0.74 -4.21 118.68 108.60 3aet s LEU 352 Ca 0.12 1.25 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 3aet s LEU 352 Cb 0.17 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.78 3aet s LEU 352 CO 0.75 -0.22 -0.08 -0.51 -1.32 0.00 0.00 176.35 174.97 3aet s ILE 353 N 1.45 3.60 -0.18 6.68 1.10 -1.00 -1.24 121.20 131.62 3aet s ILE 353 Ca -0.09 -0.51 0.01 0.00 -0.51 0.00 0.00 60.65 59.55 3aet s ILE 353 Cb -0.06 -2.47 0.03 0.00 0.15 0.00 0.00 42.46 40.11 3aet s ILE 353 CO -0.16 0.59 -0.13 -0.76 -2.11 0.00 0.00 174.94 172.37 3aet s LEU 354 N -0.66 2.10 0.00 8.50 1.43 -0.70 -1.32 118.68 128.02 3aet s LEU 354 Ca 0.10 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3aet s LEU 354 Cb -0.11 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.86 3aet s LEU 354 CO 0.02 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.10 3aet n GLY 355 N 4.70 2.11 3.70 -3.19 0.00 -0.37 -0.65 105.19 111.50 3aet n GLY 355 Ca -0.16 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 3aet n GLY 355 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3aet s THR 356 N 1.16 2.31 0.55 2.61 2.01 -1.26 -0.64 115.64 122.39 3aet s THR 356 Ca 0.00 -1.79 0.35 0.00 0.31 0.00 0.00 61.69 60.56 3aet s THR 356 Cb 0.00 -2.97 0.53 0.00 0.01 0.00 0.00 72.50 70.06 3aet s THR 356 CO 0.00 -0.03 1.81 -0.61 -0.69 0.00 0.00 174.62 175.09 3aet h GLN 357 N 1.55 0.00 -0.19 4.92 4.15 -1.75 0.67 115.11 124.45 3aet h GLN 357 Ca -0.43 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 58.95 3aet h GLN 357 Cb 1.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 3aet h GLN 357 CO 0.71 0.00 -0.05 1.98 -1.93 0.00 0.00 178.83 179.55 3aet h MET 358 N 0.00 0.37 -0.56 1.69 4.05 -1.94 -2.55 114.93 115.99 3aet h MET 358 Ca 0.51 -0.14 -0.10 0.00 -0.28 0.00 0.00 59.70 59.69 3aet h MET 358 Cb 2.13 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.89 3aet h MET 358 CO -0.01 0.63 -0.06 0.93 0.23 0.00 0.00 176.91 178.64 3aet h GLU 359 N 0.08 1.02 -0.82 0.39 3.07 -0.11 0.14 114.58 118.35 3aet h GLU 359 Ca 0.05 -0.36 0.20 0.00 -0.50 0.00 0.00 59.36 58.75 3aet h GLU 359 Cb 0.50 -0.08 -0.14 0.00 -0.84 0.00 0.00 28.75 28.19 3aet h GLU 359 CO 0.02 1.04 0.09 0.00 -1.40 0.00 0.00 179.01 178.76 3aet h ARG 360 N 0.91 0.13 0.10 2.33 2.47 -1.03 0.29 114.38 119.58 3aet h ARG 360 Ca 0.15 -0.01 -0.27 0.00 -1.26 0.00 0.00 59.98 58.59 3aet h ARG 360 Cb 0.62 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 3aet h ARG 360 CO 0.04 0.09 -1.17 -0.91 0.56 0.00 0.00 179.97 178.58 3aet h ASN 361 N 0.13 0.59 -0.71 7.04 2.35 -0.64 -1.07 115.58 123.27 3aet h ASN 361 Ca 0.48 -0.56 0.07 0.00 -0.55 0.00 0.00 56.30 55.75 3aet h ASN 361 Cb 0.91 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.03 3aet h ASN 361 CO -0.69 1.40 0.39 0.40 -1.65 0.00 0.00 177.43 177.28 3aet h ILE 362 N 0.17 0.93 -0.25 2.81 2.04 -0.25 -0.87 117.51 122.08 3aet h ILE 362 Ca -0.14 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3aet h ILE 362 Cb 1.85 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3aet h ILE 362 CO 0.20 0.13 0.12 0.00 0.00 0.00 0.00 178.15 178.60 3aet h ALA 363 N 1.39 0.32 -0.23 1.87 0.00 -0.30 -0.99 119.26 121.33 3aet h ALA 363 Ca 0.33 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3aet h ALA 363 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3aet h ALA 363 CO -0.22 -0.11 0.06 0.87 0.00 0.00 0.00 179.25 179.85 3aet h LYS 364 N 0.27 0.15 -0.17 0.00 1.79 -0.88 0.16 116.57 117.90 3aet h LYS 364 Ca 0.09 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.60 3aet h LYS 364 Cb 0.13 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3aet h LYS 364 CO -0.01 0.10 0.12 0.87 -1.08 0.00 0.00 179.45 179.45 3aet h LYS 365 N 0.15 0.00 -0.46 3.15 1.57 -0.54 -2.09 116.57 118.35 3aet h LYS 365 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3aet h LYS 365 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3aet h LYS 365 CO -0.13 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.03 3aet n LEU 366 N -4.46 3.56 -3.55 2.94 4.77 -0.24 -4.98 117.00 115.04 3aet n LEU 366 Ca 0.01 -1.61 -0.20 0.00 -0.03 0.00 0.00 56.01 54.18 3aet n LEU 366 Cb 0.25 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3aet n LEU 366 CO 0.35 0.79 0.10 0.61 -1.33 0.00 0.00 177.39 177.91 3aet n GLY 367 N 1.51 -0.39 3.24 -0.72 0.00 -0.12 -5.02 105.19 103.69 3aet n GLY 367 Ca 0.20 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 3aet n GLY 367 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aet s LEU 368 N -6.66 2.07 0.76 0.99 1.43 -0.71 -5.04 118.68 111.53 3aet s LEU 368 Ca 0.15 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 3aet s LEU 368 Cb -0.07 -1.09 0.06 0.00 0.03 0.00 0.00 46.19 45.12 3aet s LEU 368 CO 0.75 0.24 1.23 -2.65 0.23 0.00 0.00 176.35 176.15 3aet n PRO 369 N 2.36 0.44 -3.61 1.29 -0.02 -1.26 -4.47 135.00 129.74 3aet n PRO 369 Ca -0.16 0.22 -0.15 0.00 -2.02 0.00 0.00 63.50 61.40 3aet n PRO 369 Cb 0.53 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 3aet n PRO 369 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3aet s ALA 371 N -0.00 1.16 -0.19 0.00 0.00 -0.44 -4.75 121.76 117.54 3aet s ALA 371 Ca -0.02 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 3aet s ALA 371 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3aet s ALA 371 CO 0.03 0.17 0.44 0.08 0.00 0.00 0.00 175.76 176.48 3aet s VAL 372 N -1.21 5.17 0.00 0.00 1.01 -1.26 -1.23 120.40 122.87 3aet s VAL 372 Ca -0.02 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3aet s VAL 372 Cb -0.10 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3aet s VAL 372 CO 0.02 0.23 0.77 2.30 0.00 0.00 0.00 175.10 178.42 3aet n ILE 373 N 4.36 0.59 -3.64 2.22 -5.35 0.19 -4.89 119.36 112.83 3aet n ILE 373 Ca -0.07 -0.68 -0.07 0.00 -0.27 0.00 0.00 62.75 61.66 3aet n ILE 373 Cb 0.51 0.76 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 3aet n ILE 373 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3aet s SER 374 N -0.59 -0.35 0.71 7.28 0.15 -1.20 -4.85 113.70 114.84 3aet s SER 374 Ca 0.00 0.67 -0.16 0.00 0.70 0.00 0.00 55.95 57.16 3aet s SER 374 Cb 0.00 0.71 -0.00 0.00 -1.71 0.00 0.00 66.02 65.02 3aet s SER 374 CO 0.00 -0.11 0.94 0.00 1.20 0.00 0.00 173.24 175.26 3aet n ALA 375 N 2.16 -0.27 -1.80 5.45 0.00 -1.26 -4.38 120.51 120.40 3aet n ALA 375 Ca -0.12 -0.17 -0.34 0.00 0.00 0.00 0.00 53.44 52.81 3aet n ALA 375 Cb 0.56 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 3aet n ALA 375 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3aet s PRO 376 N -3.22 3.90 -0.02 0.00 0.04 -1.26 -4.36 135.00 130.07 3aet s PRO 376 Ca 0.73 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 3aet s PRO 376 Cb -0.35 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.07 3aet s PRO 376 CO 0.50 -0.34 0.34 0.54 0.04 0.00 0.00 177.00 178.08 3aet s VAL 377 N -1.99 0.05 0.56 -0.36 0.11 -1.26 -2.71 120.40 114.79 3aet s VAL 377 Ca 0.66 -0.42 -0.02 0.00 -2.93 0.00 0.00 61.98 59.27 3aet s VAL 377 Cb -0.16 -0.64 0.11 0.00 -1.53 0.00 0.00 36.38 34.17 3aet s VAL 377 CO 0.19 -0.23 0.76 0.00 -3.33 0.00 0.00 175.10 172.49 3aet n HIS 378 N 1.32 -3.25 -0.35 1.54 1.44 -1.26 -4.95 115.22 109.72 3aet n HIS 378 Ca -0.21 -1.18 0.24 0.00 -2.01 0.00 0.00 57.72 54.56 3aet n HIS 378 Cb 0.56 -0.56 0.49 0.00 0.12 0.00 0.00 29.99 30.60 3aet n HIS 378 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 3aet h VAL 379 N -0.74 0.41 -0.56 0.61 3.04 -1.91 -1.59 116.25 115.50 3aet h VAL 379 Ca -0.25 -0.13 0.16 0.00 -1.01 0.00 0.00 66.70 65.47 3aet h VAL 379 Cb 0.87 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.12 3aet h VAL 379 CO 0.25 0.07 0.59 0.06 -1.01 0.00 0.00 177.57 177.52 3aet h GLN 380 N 0.38 0.00 -0.58 4.17 3.07 -1.93 -1.19 115.11 119.02 3aet h GLN 380 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.42 3aet h GLN 380 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.19 3aet h GLN 380 CO -0.45 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.22 3aet n ASP 381 N -3.70 4.41 -3.77 0.06 9.92 -0.60 -4.26 116.55 118.62 3aet n ASP 381 Ca 0.11 -2.42 -0.30 0.00 -0.53 0.00 0.00 54.79 51.65 3aet n ASP 381 Cb 0.80 -0.53 -0.08 0.00 -0.64 0.00 0.00 41.12 40.67 3aet n ASP 381 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3aet n PHE 382 N 0.93 3.53 -1.81 1.24 3.01 -0.45 -4.60 117.46 119.32 3aet n PHE 382 Ca 0.24 -4.09 -0.31 0.00 1.01 0.00 0.00 57.45 54.30 3aet n PHE 382 Cb 0.82 -0.75 0.04 0.00 -0.01 0.00 0.00 39.48 39.57 3aet n PHE 382 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3aet s PRO 383 N -1.94 3.11 0.07 -1.08 0.04 -1.26 -4.99 135.00 128.95 3aet s PRO 383 Ca 0.32 0.66 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 3aet s PRO 383 Cb 0.03 -2.03 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 3aet s PRO 383 CO -0.08 -0.90 1.29 0.00 0.04 0.00 0.00 177.00 177.35 3aet h ALA 384 N -0.56 0.27 -2.32 8.56 0.00 -1.94 -3.47 119.26 119.81 3aet h ALA 384 Ca -0.45 -0.50 -0.51 0.00 0.00 0.00 0.00 54.91 53.45 3aet h ALA 384 Cb 1.22 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 19.12 3aet h ALA 384 CO 0.62 0.46 0.30 -0.98 0.00 0.00 0.00 179.25 179.65 3aet s ARG 385 N -3.85 2.00 -0.01 0.00 1.70 -1.26 -4.96 118.95 112.57 3aet s ARG 385 Ca -0.12 1.12 -0.30 0.00 -0.47 0.00 0.00 55.73 55.96 3aet s ARG 385 Cb 0.07 -1.87 -0.04 0.00 -0.57 0.00 0.00 34.95 32.54 3aet s ARG 385 CO 0.84 -1.81 1.17 -0.47 -1.08 0.00 0.00 175.30 173.96 3aet s TYR 386 N -2.90 3.33 -0.45 5.89 6.14 -1.26 -4.96 117.35 123.14 3aet s TYR 386 Ca 0.62 1.31 0.07 0.00 0.64 0.00 0.00 57.07 59.71 3aet s TYR 386 Cb -0.18 -3.38 0.26 0.00 0.42 0.00 0.00 41.96 39.08 3aet s TYR 386 CO 0.56 -1.12 0.81 0.00 0.64 0.00 0.00 175.55 176.45 3aet n ALA 387 N 4.65 -0.17 -1.72 3.97 0.00 -1.26 -5.12 120.51 120.86 3aet n ALA 387 Ca 0.10 -2.03 -0.30 0.00 0.00 0.00 0.00 53.44 51.21 3aet n ALA 387 Cb 0.47 -1.16 0.19 0.00 0.00 0.00 0.00 19.45 18.95 3aet n ALA 387 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3aet s PRO 388 N -0.01 0.29 -0.09 0.00 0.04 -1.26 -4.89 135.00 129.08 3aet s PRO 388 Ca 0.32 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.08 3aet s PRO 388 Cb 0.23 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.92 3aet s PRO 388 CO -0.18 -2.67 -0.08 1.04 0.04 0.00 0.00 177.00 175.15 3aet n GLN 389 N -3.98 0.21 -1.21 4.56 1.13 -1.26 -4.50 117.38 112.34 3aet n GLN 389 Ca 0.14 0.05 -0.32 0.00 -1.94 0.00 0.00 57.00 54.94 3aet n GLN 389 Cb 0.59 -1.16 0.10 0.00 0.11 0.00 0.00 30.24 29.89 3aet n GLN 389 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3aet s MET 390 N -2.17 2.00 2.55 -1.09 -1.94 -1.26 -3.66 119.30 113.74 3aet s MET 390 Ca -0.12 1.36 0.00 0.00 -1.71 0.00 0.00 55.69 55.23 3aet s MET 390 Cb 0.03 -1.85 0.00 0.00 2.01 0.00 0.00 34.83 35.02 3aet s MET 390 CO 0.20 -1.86 0.00 0.41 -0.01 0.00 0.00 175.02 173.75 3aet n GLY 391 N -0.57 0.07 0.29 -0.03 0.00 -0.80 -2.55 105.19 101.60 3aet n GLY 391 Ca 0.10 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 3aet n GLY 391 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3aet h PHE 392 N 0.00 -0.62 -0.53 1.61 0.04 -1.91 0.64 116.94 116.17 3aet h PHE 392 Ca 0.00 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.82 3aet h PHE 392 Cb 0.00 0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 3aet h PHE 392 CO 0.00 -0.36 0.36 1.49 -0.60 0.00 0.00 178.31 179.20 3aet h GLU 393 N -1.15 0.45 -0.81 1.51 4.57 -1.90 0.22 114.58 117.46 3aet h GLU 393 Ca -0.07 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3aet h GLU 393 Cb 0.54 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 3aet h GLU 393 CO 0.11 0.30 0.51 0.78 -1.18 0.00 0.00 179.01 179.53 3aet h GLY 394 N 0.46 1.19 1.38 1.92 0.00 -1.35 -0.81 103.07 105.86 3aet h GLY 394 Ca 0.23 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 3aet h GLY 394 CO -0.06 0.31 0.09 0.00 0.00 0.00 0.00 176.54 176.87 3aet h ALA 395 N 1.35 1.22 -0.41 3.60 0.00 0.18 -1.61 119.26 123.59 3aet h ALA 395 Ca 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3aet h ALA 395 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3aet h ALA 395 CO -0.13 0.53 0.09 -0.91 0.00 0.00 0.00 179.25 178.83 3aet h ASN 396 N 0.74 0.64 0.03 0.00 2.35 -0.48 -2.40 115.58 116.46 3aet h ASN 396 Ca 0.16 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3aet h ASN 396 Cb 0.33 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3aet h ASN 396 CO 0.00 0.71 -0.11 0.58 -1.65 0.00 0.00 177.43 176.96 3aet h VAL 397 N 0.53 0.72 -0.98 2.81 2.07 -0.76 -1.98 116.25 118.66 3aet h VAL 397 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3aet h VAL 397 Cb 0.33 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 3aet h VAL 397 CO 0.00 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 178.15 3aet h LEU 398 N -0.21 0.93 -0.05 2.57 3.38 -1.28 0.21 115.31 120.86 3aet h LEU 398 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3aet h LEU 398 Cb 0.24 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3aet h LEU 398 CO -0.09 0.53 -0.02 0.15 0.09 0.00 0.00 178.44 179.09 3aet h PHE 399 N 1.02 0.12 -0.63 1.13 3.57 -0.87 -2.26 116.94 119.02 3aet h PHE 399 Ca 0.47 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.97 3aet h PHE 399 Cb 0.40 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3aet h PHE 399 CO -0.00 0.49 0.37 -0.44 -2.23 0.00 0.00 178.31 176.50 3aet h ASP 400 N -0.29 0.59 -0.29 0.41 5.19 -0.87 -2.09 116.42 119.08 3aet h ASP 400 Ca 0.01 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.47 3aet h ASP 400 Cb 0.46 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 3aet h ASP 400 CO 0.01 0.41 0.08 0.74 -3.12 0.00 0.00 179.24 177.35 3aet h THR 401 N 0.72 0.90 0.12 0.35 2.02 -0.52 -2.64 112.91 113.86 3aet h THR 401 Ca 0.26 -0.07 -0.27 0.00 0.77 0.00 0.00 66.41 67.10 3aet h THR 401 Cb 0.07 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3aet h THR 401 CO -0.13 0.04 -1.22 -0.50 0.37 0.00 0.00 175.52 174.08 3aet h TRP 402 N 0.20 0.56 -0.08 3.16 4.06 -1.31 -3.30 115.95 119.24 3aet h TRP 402 Ca 0.13 -0.39 -0.23 0.00 2.06 0.00 0.00 58.89 60.46 3aet h TRP 402 Cb 0.12 -0.03 0.01 0.00 -1.00 0.00 0.00 29.16 28.26 3aet h TRP 402 CO -0.15 1.29 -0.87 0.28 -3.56 0.00 0.00 178.44 175.43 3aet h VAL 403 N 0.10 1.31 -0.29 1.49 2.07 -1.39 -3.36 116.25 116.18 3aet h VAL 403 Ca -0.14 -2.14 0.07 0.00 0.82 0.00 0.00 66.70 65.30 3aet h VAL 403 Cb 1.93 2.17 -0.08 0.00 -1.52 0.00 0.00 31.29 33.80 3aet h VAL 403 CO 0.21 0.66 -0.28 -0.74 0.02 0.00 0.00 177.57 177.43 3aet h HIS 404 N 0.41 -0.77 -0.44 1.57 6.17 -1.55 -0.23 115.15 120.32 3aet h HIS 404 Ca -0.07 0.05 0.12 0.00 0.71 0.00 0.00 60.37 61.17 3aet h HIS 404 Cb 1.50 0.38 -0.02 0.00 2.52 0.00 0.00 27.41 31.79 3aet h HIS 404 CO 0.08 -0.36 0.31 -1.00 0.71 0.00 0.00 177.93 177.67 3aet h PRO 405 N -0.27 0.05 -0.02 5.26 0.13 -1.72 -0.64 132.00 134.79 3aet h PRO 405 Ca 0.15 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.18 3aet h PRO 405 Cb 0.51 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.63 3aet h PRO 405 CO -0.44 0.03 -0.36 -0.07 -0.23 0.00 0.00 178.00 176.93 3aet h LEU 406 N 0.05 0.35 -0.84 1.56 3.38 -1.29 -1.12 115.31 117.40 3aet h LEU 406 Ca 0.21 -0.74 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 3aet h LEU 406 Cb 0.76 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3aet h LEU 406 CO -0.01 1.04 0.14 1.62 0.09 0.00 0.00 178.44 181.32 3aet h VAL 407 N -0.30 1.25 -0.43 1.22 3.04 -0.62 -0.70 116.25 119.70 3aet h VAL 407 Ca -0.04 -0.93 -0.05 0.00 -1.01 0.00 0.00 66.70 64.67 3aet h VAL 407 Cb 1.07 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 30.94 3aet h VAL 407 CO 0.07 0.35 0.07 0.24 -1.01 0.00 0.00 177.57 177.29 3aet h MET 408 N 0.96 0.66 -0.33 4.17 2.86 -1.18 -1.11 114.93 120.95 3aet h MET 408 Ca 0.20 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3aet h MET 408 Cb 0.36 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3aet h MET 408 CO 0.00 0.63 0.21 0.78 1.06 0.00 0.00 176.91 179.59 3aet h GLY 409 N 0.88 0.48 0.85 8.32 0.00 -0.31 0.47 103.07 113.77 3aet h GLY 409 Ca 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3aet h GLY 409 CO 0.00 0.19 -0.03 -2.00 0.00 0.00 0.00 176.54 174.69 3aet h LEU 410 N 0.44 -0.08 -1.37 3.11 5.85 -0.94 -0.83 115.31 121.49 3aet h LEU 410 Ca 0.12 -0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.89 3aet h LEU 410 Cb -0.02 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 3aet h LEU 410 CO -0.02 0.08 0.59 -0.08 -0.34 0.00 0.00 178.44 178.67 3aet h GLU 411 N -0.25 0.53 0.05 1.25 4.81 -1.04 0.19 114.58 120.12 3aet h GLU 411 Ca -0.01 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 58.95 3aet h GLU 411 Cb 0.21 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.49 3aet h GLU 411 CO 0.02 0.35 -0.97 0.93 -0.73 0.00 0.00 179.01 178.61 3aet h GLU 412 N 0.54 0.57 0.61 1.92 5.08 -0.62 -2.25 114.58 120.44 3aet h GLU 412 Ca 0.48 -0.68 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3aet h GLU 412 Cb 1.00 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3aet h GLU 412 CO -0.22 1.28 -0.38 1.25 -1.00 0.00 0.00 179.01 179.94 3aet h HIS 413 N 0.16 -1.00 -0.24 4.33 2.76 -0.38 -2.91 115.15 117.87 3aet h HIS 413 Ca -0.13 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.09 3aet h HIS 413 Cb 1.66 0.36 -0.07 0.00 1.55 0.00 0.00 27.41 30.90 3aet h HIS 413 CO 0.13 -0.57 -0.24 -0.07 -1.30 0.00 0.00 177.93 175.87 3aet h LEU 414 N -0.94 -0.78 -1.44 0.26 3.38 -0.76 0.67 115.31 115.70 3aet h LEU 414 Ca -0.08 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3aet h LEU 414 Cb 0.76 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 3aet h LEU 414 CO 0.08 -0.28 0.36 -0.07 0.09 0.00 0.00 178.44 178.61 3aet h LEU 415 N -0.25 0.64 0.16 1.67 3.38 -1.39 0.18 115.31 119.70 3aet h LEU 415 Ca 0.14 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.77 3aet h LEU 415 Cb 0.46 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.06 3aet h LEU 415 CO -0.39 0.47 -1.55 0.71 0.09 0.00 0.00 178.44 177.78 3aet h THR 416 N 0.75 1.16 -0.60 0.22 1.35 -1.29 -2.67 112.91 111.84 3aet h THR 416 Ca 0.20 -2.74 0.11 0.00 -0.55 0.00 0.00 66.41 63.43 3aet h THR 416 Cb -0.07 2.83 -0.08 0.00 -1.73 0.00 0.00 68.15 69.10 3aet h THR 416 CO -0.04 0.84 0.14 -0.03 -0.25 0.00 0.00 175.52 176.18 3aet h MET 417 N 0.09 0.27 0.00 4.72 1.85 -0.39 -1.94 114.93 119.54 3aet h MET 417 Ca -0.26 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.81 3aet h MET 417 Cb 2.06 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 34.03 3aet h MET 417 CO 0.19 0.18 0.00 0.74 -0.40 0.00 0.00 176.91 177.62 3aet h PHE 418 N 0.28 0.00 0.06 1.39 0.04 -0.66 -3.37 116.94 114.68 3aet h PHE 418 Ca 0.31 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.83 3aet h PHE 418 Cb 0.45 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3aet h PHE 418 CO -0.23 0.00 -1.25 0.00 -0.60 0.00 0.00 178.31 176.23 3aet h ARG 419 N 0.00 0.12 0.00 1.51 3.08 -0.98 -3.50 114.38 114.61 3aet h ARG 419 Ca 0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3aet h ARG 419 Cb 0.40 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3aet h ARG 419 CO 0.00 1.03 0.00 -0.85 -1.07 0.00 0.00 179.97 179.08