#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 2.82 -0.05 0.03 1.02 -1.26 -5.09 119.74 117.21 3aet s LYS 2 Ca 0.00 -0.99 -0.33 0.00 0.02 0.00 0.00 55.97 54.67 3aet s LYS 2 Cb 0.00 -3.03 -0.11 0.00 -0.52 0.00 0.00 37.83 34.17 3aet s LYS 2 CO 0.00 -0.42 1.91 -0.11 -0.92 0.00 0.00 175.35 175.81 3aet n LEU 3 N 4.68 3.66 -3.76 3.17 0.00 -1.26 -4.96 117.00 118.53 3aet n LEU 3 Ca -0.16 0.95 -0.25 0.00 0.00 0.00 0.00 56.01 56.55 3aet n LEU 3 Cb 0.47 -1.42 -0.17 0.00 0.00 0.00 0.00 43.42 42.30 3aet n LEU 3 CO 0.27 0.02 -0.38 -0.89 0.00 0.00 0.00 177.39 176.41 3aet s THR 4 N 4.18 0.47 0.00 1.96 2.01 -1.26 -5.04 115.64 117.96 3aet s THR 4 Ca 0.92 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.74 3aet s THR 4 Cb -0.62 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.13 3aet s THR 4 CO 0.49 0.08 0.00 -0.11 -0.69 0.00 0.00 174.62 174.39 3aet n LEU 5 N 5.10 0.62 -4.74 4.42 7.94 -1.26 -4.96 117.00 124.11 3aet n LEU 5 Ca -0.08 0.01 -0.41 0.00 -1.11 0.00 0.00 56.01 54.42 3aet n LEU 5 Cb 0.49 -0.05 -0.04 0.00 0.53 0.00 0.00 43.42 44.35 3aet n LEU 5 CO 0.12 -0.05 0.78 0.86 -1.11 0.00 0.00 177.39 177.99 3aet s TRP 6 N -0.10 3.63 -0.02 1.96 -0.11 -1.26 -5.07 118.94 117.96 3aet s TRP 6 Ca 0.00 1.66 0.07 0.00 1.22 0.00 0.00 56.10 59.05 3aet s TRP 6 Cb 0.00 -3.25 -0.02 0.00 -1.50 0.00 0.00 33.47 28.70 3aet s TRP 6 CO 0.00 -0.48 -0.24 -0.08 -4.62 0.00 0.00 176.95 171.53 3aet s THR 7 N -0.56 2.19 -0.18 5.86 -1.32 -1.26 -4.83 115.64 115.54 3aet s THR 7 Ca 0.47 -1.06 0.16 0.00 -1.21 0.00 0.00 61.69 60.05 3aet s THR 7 Cb -0.30 -1.77 0.05 0.00 -1.51 0.00 0.00 72.50 68.97 3aet s THR 7 CO 0.36 0.58 1.33 1.88 -2.21 0.00 0.00 174.62 176.56 3aet h TYR 8 N 5.46 0.00 -4.04 9.09 -1.99 -1.98 -3.46 116.97 120.04 3aet h TYR 8 Ca -0.44 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 59.85 3aet h TYR 8 Cb 1.12 0.00 -0.25 0.00 2.00 0.00 0.00 36.73 39.61 3aet h TYR 8 CO 0.41 0.46 -0.79 -1.21 -0.00 0.00 0.00 178.16 177.02 3aet s GLU 9 N -2.99 0.93 1.04 4.88 2.02 -1.26 -4.44 118.70 118.89 3aet s GLU 9 Ca 0.03 -0.75 -0.16 0.00 0.02 0.00 0.00 54.97 54.11 3aet s GLU 9 Cb 0.08 -0.94 0.22 0.00 0.10 0.00 0.00 34.13 33.58 3aet s GLU 9 CO 0.75 0.23 1.17 0.20 0.02 0.00 0.00 175.26 177.64 3aet s GLY 10 N -1.12 1.63 0.63 -1.39 0.00 -1.26 -4.78 107.32 101.03 3aet s GLY 10 Ca 0.02 -0.86 -0.14 0.00 0.00 0.00 0.00 44.72 43.73 3aet s GLY 10 CO 0.01 -0.11 1.06 2.56 0.00 0.00 0.00 173.10 176.62 3aet s PRO 11 N -5.47 3.18 0.54 2.90 0.04 -1.26 -0.43 135.00 134.50 3aet s PRO 11 Ca 0.69 1.15 0.33 0.00 0.04 0.00 0.00 61.00 63.21 3aet s PRO 11 Cb -0.10 -2.02 1.51 0.00 0.04 0.00 0.00 34.50 33.93 3aet s PRO 11 CO 0.55 -0.92 1.86 -1.35 0.04 0.00 0.00 177.00 177.18 3aet h PRO 12 N 0.10 0.00 0.00 0.56 0.11 -1.79 -0.93 132.00 130.05 3aet h PRO 12 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3aet h PRO 12 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3aet h PRO 12 CO 0.57 0.00 -0.11 1.12 -0.21 0.00 0.00 178.00 179.37 3aet h HIS 13 N 0.00 0.00 -0.39 0.65 2.07 -1.89 -0.92 115.15 114.67 3aet h HIS 13 Ca 0.47 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.94 3aet h HIS 13 Cb 1.89 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.86 3aet h HIS 13 CO 0.00 0.11 0.04 0.28 -3.07 0.00 0.00 177.93 175.29 3aet h VAL 14 N 0.00 1.25 -0.94 6.12 2.07 -1.52 0.17 116.25 123.39 3aet h VAL 14 Ca -0.00 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3aet h VAL 14 Cb 0.40 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3aet h VAL 14 CO 0.01 0.31 0.62 1.23 0.02 0.00 0.00 177.57 179.76 3aet h GLY 15 N 0.50 1.35 0.84 2.17 0.00 -1.37 0.74 103.07 107.29 3aet h GLY 15 Ca 0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3aet h GLY 15 CO 0.01 0.44 -0.45 0.00 0.00 0.00 0.00 176.54 176.55 3aet h ALA 16 N 1.37 -1.15 -1.04 3.60 0.00 -1.05 -1.99 119.26 119.01 3aet h ALA 16 Ca 0.36 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 55.30 3aet h ALA 16 Cb -0.07 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 3aet h ALA 16 CO -0.10 -1.16 0.66 0.52 0.00 0.00 0.00 179.25 179.17 3aet h MET 17 N -1.11 0.41 0.00 0.00 2.86 0.54 0.13 114.93 117.75 3aet h MET 17 Ca -0.10 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 3aet h MET 17 Cb 0.89 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 3aet h MET 17 CO 0.10 0.27 -0.53 -0.09 1.06 0.00 0.00 176.91 177.73 3aet h ARG 18 N 0.43 0.00 0.12 1.72 2.43 0.88 -1.24 114.38 118.72 3aet h ARG 18 Ca 0.61 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.50 3aet h ARG 18 Cb 1.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 3aet h ARG 18 CO -0.33 0.53 -1.37 0.28 -1.51 0.00 0.00 179.97 177.57 3aet h VAL 19 N 0.00 1.08 -0.81 0.20 2.07 -0.09 -2.56 116.25 116.13 3aet h VAL 19 Ca -0.01 -2.43 0.02 0.00 0.82 0.00 0.00 66.70 65.11 3aet h VAL 19 Cb 1.01 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 33.51 3aet h VAL 19 CO 0.07 0.72 0.54 0.00 0.02 0.00 0.00 177.57 178.91 3aet h ALA 20 N -0.02 1.47 -0.18 1.67 0.00 -1.00 -2.51 119.26 118.69 3aet h ALA 20 Ca -0.29 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 3aet h ALA 20 Cb 1.78 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3aet h ALA 20 CO 0.08 0.46 -0.56 1.15 0.00 0.00 0.00 179.25 180.38 3aet h THR 21 N 1.04 1.32 -0.29 0.00 2.02 -1.36 -2.93 112.91 112.72 3aet h THR 21 Ca 0.31 -1.82 0.07 0.00 0.77 0.00 0.00 66.41 65.75 3aet h THR 21 Cb -0.03 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3aet h THR 21 CO -0.08 0.56 0.21 0.00 0.37 0.00 0.00 175.52 176.58 3aet h ALA 22 N 0.96 2.20 -2.39 6.16 0.00 -1.42 -3.43 119.26 121.34 3aet h ALA 22 Ca 0.01 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3aet h ALA 22 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3aet h ALA 22 CO 0.11 -0.28 -0.05 -1.64 0.00 0.00 0.00 179.25 177.38 3aet s MET 23 N -5.09 3.69 0.16 0.00 -1.94 -1.11 -0.13 119.30 114.89 3aet s MET 23 Ca -0.05 0.17 0.06 0.00 -1.71 0.00 0.00 55.69 54.15 3aet s MET 23 Cb 0.18 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 3aet s MET 23 CO 0.70 0.13 0.09 -1.59 -0.01 0.00 0.00 175.02 174.35 3aet s LYS 24 N -3.63 2.72 -1.33 2.03 -2.85 -0.02 -4.67 119.74 112.00 3aet s LYS 24 Ca 0.46 -0.95 -0.03 0.00 -1.00 0.00 0.00 55.97 54.45 3aet s LYS 24 Cb -0.11 -2.55 0.02 0.00 -2.06 0.00 0.00 37.83 33.13 3aet s LYS 24 CO 0.30 0.48 0.86 -0.25 0.10 0.00 0.00 175.35 176.84 3aet n ASP 25 N -0.24 -2.48 -3.69 0.03 8.00 -1.26 -4.15 116.55 112.75 3aet n ASP 25 Ca -0.09 -0.74 -0.13 0.00 0.71 0.00 0.00 54.79 54.54 3aet n ASP 25 Cb 0.55 -4.37 -0.13 0.00 -0.02 0.00 0.00 41.12 37.15 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 -6.77 0.03 -0.13 0.64 0.20 -1.26 -3.05 118.68 108.33 3aet s LEU 26 Ca 0.17 0.57 -0.03 0.00 0.69 0.00 0.00 54.13 55.54 3aet s LEU 26 Cb -0.08 0.74 -0.03 0.00 -0.43 0.00 0.00 46.19 46.39 3aet s LEU 26 CO 0.79 -0.20 -0.03 -1.10 -0.29 0.00 0.00 176.35 175.51 3aet s GLN 27 N 1.85 3.47 -0.10 1.98 -1.52 -1.22 -4.78 119.66 119.34 3aet s GLN 27 Ca -0.04 -0.51 0.01 0.00 -1.95 0.00 0.00 55.36 52.87 3aet s GLN 27 Cb -0.11 -2.86 -0.02 0.00 -0.22 0.00 0.00 33.01 29.80 3aet s GLN 27 CO -0.09 0.36 -0.12 -1.17 -0.25 0.00 0.00 175.29 174.02 3aet s LEU 28 N 0.04 2.79 -0.21 2.90 2.96 -0.99 -1.00 118.68 125.16 3aet s LEU 28 Ca 0.00 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3aet s LEU 28 Cb -0.13 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3aet s LEU 28 CO 0.03 0.24 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.49 3aet s VAL 29 N -0.07 2.72 -0.25 1.68 1.01 0.01 -1.19 120.40 124.31 3aet s VAL 29 Ca -0.02 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 3aet s VAL 29 Cb -0.14 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3aet s VAL 29 CO 0.04 0.43 0.09 -0.76 0.00 0.00 0.00 175.10 174.89 3aet s LEU 30 N 1.37 3.56 -0.27 3.92 1.43 0.00 -1.36 118.68 127.33 3aet s LEU 30 Ca 0.04 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 3aet s LEU 30 Cb -0.14 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.13 3aet s LEU 30 CO -0.08 -0.01 1.11 -2.28 0.23 0.00 0.00 176.35 175.32 3aet s HIS 31 N 1.50 3.12 -0.03 0.29 5.65 -0.25 -2.59 115.29 122.98 3aet s HIS 31 Ca 0.06 1.22 -0.31 0.00 0.25 0.00 0.00 55.06 56.28 3aet s HIS 31 Cb -0.15 -3.57 0.12 0.00 -1.18 0.00 0.00 32.58 27.80 3aet s HIS 31 CO 0.05 -0.90 1.25 0.20 -0.65 0.00 0.00 174.74 174.69 3aet s GLY 32 N 1.69 -0.39 0.78 1.59 0.00 -1.26 0.26 107.32 110.00 3aet s GLY 32 Ca 0.47 0.81 -0.11 0.00 0.00 0.00 0.00 44.72 45.90 3aet s GLY 32 CO 0.13 0.18 1.09 2.56 0.00 0.00 0.00 173.10 177.06 3aet s PRO 33 N -2.48 2.20 0.13 2.90 0.04 -1.26 -2.73 135.00 133.81 3aet s PRO 33 Ca 0.13 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 3aet s PRO 33 Cb 0.04 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 3aet s PRO 33 CO -0.04 -1.65 1.19 -1.14 0.04 0.00 0.00 177.00 175.40 3aet s GLN 34 N -4.94 4.48 0.00 4.56 0.74 -0.54 -3.11 119.66 120.85 3aet s GLN 34 Ca 0.61 1.82 0.00 0.00 0.05 0.00 0.00 55.36 57.84 3aet s GLN 34 Cb -0.17 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.66 3aet s GLN 34 CO 0.56 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.57 3aet n GLY 35 N 2.61 0.28 1.86 2.59 0.00 -1.26 -4.94 105.19 106.32 3aet n GLY 35 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.91 1.19 -0.39 0.00 -2.24 -1.26 -4.69 114.28 105.98 3aet n THR 37 Ca 0.48 -1.07 0.39 0.00 -2.27 0.00 0.00 64.05 61.57 3aet n THR 37 Cb 1.43 0.41 0.75 0.00 -2.10 0.00 0.00 70.33 70.82 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 3.46 0.00 0.00 4.78 -0.00 -2.00 -2.92 116.97 120.29 3aet h TYR 38 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 3aet h TYR 38 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.74 3aet h TYR 38 CO 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 178.16 178.55 3aet h ALA 39 N 1.27 1.11 -0.10 0.10 0.00 -1.97 -2.44 119.26 117.23 3aet h ALA 39 Ca 0.63 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.49 3aet h ALA 39 Cb 2.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.38 3aet h ALA 39 CO -0.01 0.09 -0.06 -0.25 0.00 0.00 0.00 179.25 179.02 3aet n ASP 40 N -3.33 -0.10 -0.23 0.00 8.00 -1.10 -0.68 116.55 119.10 3aet n ASP 40 Ca -0.01 0.43 0.21 0.00 0.71 0.00 0.00 54.79 56.14 3aet n ASP 40 Cb 0.24 -0.15 0.39 0.00 -0.02 0.00 0.00 41.12 41.58 3aet n ASP 40 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3aet n LEU 41 N -2.93 0.21 -0.08 0.64 4.32 -0.92 0.01 117.00 118.25 3aet n LEU 41 Ca 0.00 1.17 -0.12 0.00 -0.02 0.00 0.00 56.01 57.03 3aet n LEU 41 Cb 0.03 -0.55 -0.05 0.00 -1.62 0.00 0.00 43.42 41.22 3aet n LEU 41 CO -0.02 -1.29 0.66 -0.07 -1.22 0.00 0.00 177.39 175.45 3aet h LEU 42 N 0.00 0.53 -0.51 2.23 4.07 -1.10 -1.16 115.31 119.37 3aet h LEU 42 Ca 0.58 -0.42 -0.16 0.00 0.08 0.00 0.00 57.88 57.97 3aet h LEU 42 Cb 1.51 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 43.08 3aet h LEU 42 CO -0.55 0.83 -0.74 -0.26 -1.08 0.00 0.00 178.44 176.63 3aet h PHE 43 N 0.23 0.04 0.00 1.13 0.04 -0.41 -1.73 116.94 116.24 3aet h PHE 43 Ca 0.05 -0.02 -0.31 0.00 2.80 0.00 0.00 57.97 60.49 3aet h PHE 43 Cb 0.63 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.72 3aet h PHE 43 CO 0.06 0.76 -1.95 0.25 -0.60 0.00 0.00 178.31 176.84 3aet n THR 44 N -3.67 1.50 -0.11 -1.55 -2.24 -0.70 -2.06 114.28 105.46 3aet n THR 44 Ca -0.01 -0.81 -0.16 0.00 -2.27 0.00 0.00 64.05 60.79 3aet n THR 44 Cb 0.72 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 3aet n THR 44 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3aet n MET 45 N -2.93 0.54 0.02 -0.78 2.81 -0.44 -3.07 117.12 113.27 3aet n MET 45 Ca -0.22 0.29 -0.13 0.00 -1.81 0.00 0.00 57.70 55.83 3aet n MET 45 Cb 1.08 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.99 3aet n MET 45 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3aet h ILE 46 N -1.00 1.22 -0.01 2.02 2.04 -1.38 -3.05 117.51 117.35 3aet h ILE 46 Ca -0.26 -0.96 -0.15 0.00 1.00 0.00 0.00 64.86 64.50 3aet h ILE 46 Cb 1.17 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 3aet h ILE 46 CO -0.16 0.24 -0.68 -0.33 0.00 0.00 0.00 178.15 177.23 3aet h GLU 47 N -0.50 0.06 0.00 2.37 4.39 -1.60 -3.43 114.58 115.88 3aet h GLU 47 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3aet h GLU 47 Cb 0.45 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3aet h GLU 47 CO 0.01 0.72 0.00 -2.13 -1.16 0.00 0.00 179.01 176.45 3aet n ARG 48 N -3.76 0.00 -1.66 2.33 3.00 -1.15 -5.00 116.66 110.42 3aet n ARG 48 Ca -0.02 0.13 -0.34 0.00 -0.00 0.00 0.00 57.85 57.62 3aet n ARG 48 Cb 0.66 -2.57 0.07 0.00 0.00 0.00 0.00 32.46 30.62 3aet n ARG 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3aet s ARG 49 N -2.47 2.51 -0.06 -0.14 0.52 -0.87 -4.92 118.95 113.51 3aet s ARG 49 Ca 0.00 1.70 0.21 0.00 -0.52 0.00 0.00 55.73 57.12 3aet s ARG 49 Cb 0.00 -1.88 -0.32 0.00 0.52 0.00 0.00 34.95 33.26 3aet s ARG 49 CO 0.00 -1.54 0.41 0.27 0.02 0.00 0.00 175.30 174.46 3aet n ASN 50 N -2.34 0.04 -4.75 0.23 6.94 -1.26 -4.74 115.26 109.37 3aet n ASN 50 Ca 0.13 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.46 3aet n ASN 50 Cb 0.50 1.83 -0.06 0.00 -2.36 0.00 0.00 39.78 39.69 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 -3.34 3.56 0.56 -2.53 0.00 -1.26 -5.12 121.76 113.62 3aet s ALA 51 Ca -0.08 -1.85 -0.19 0.00 0.00 0.00 0.00 51.96 49.84 3aet s ALA 51 Cb 0.13 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 3aet s ALA 51 CO 0.89 -0.00 1.12 0.50 0.00 0.00 0.00 175.76 178.27 3aet s ARG 52 N -3.87 3.30 0.42 0.00 3.52 -1.26 -4.93 118.95 116.12 3aet s ARG 52 Ca 0.39 1.58 -0.26 0.00 -0.13 0.00 0.00 55.73 57.30 3aet s ARG 52 Cb -0.02 -2.00 -0.09 0.00 -1.56 0.00 0.00 34.95 31.28 3aet s ARG 52 CO 0.23 -0.88 1.39 -1.25 -0.81 0.00 0.00 175.30 173.98 3aet s PRO 53 N -3.38 3.88 -0.45 5.12 0.04 -1.26 -4.79 135.00 134.15 3aet s PRO 53 Ca 0.72 2.35 -0.05 0.00 0.04 0.00 0.00 61.00 64.07 3aet s PRO 53 Cb -0.23 -2.76 -0.11 0.00 0.04 0.00 0.00 34.50 31.43 3aet s PRO 53 CO 0.28 -0.64 2.29 -0.35 0.04 0.00 0.00 177.00 178.63 3aet n PRO 54 N 0.07 1.67 -4.41 0.56 -0.04 -1.26 -4.79 135.00 126.81 3aet n PRO 54 Ca 0.04 -1.02 -0.21 0.00 -0.04 0.00 0.00 63.50 62.26 3aet n PRO 54 Cb 0.42 -2.11 -0.16 0.00 -0.04 0.00 0.00 33.50 31.61 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 2.49 0.84 0.20 0.52 1.01 -1.26 -2.36 120.40 121.84 3aet s VAL 55 Ca 0.41 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.13 3aet s VAL 55 Cb 0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3aet s VAL 55 CO -0.02 0.27 -0.17 -0.94 0.00 0.00 0.00 175.10 174.24 3aet s SER 56 N 0.46 2.86 0.10 3.32 1.04 -0.34 -4.99 113.70 116.15 3aet s SER 56 Ca -0.08 -0.96 0.05 0.00 0.48 0.00 0.00 55.95 55.45 3aet s SER 56 Cb -0.12 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 3aet s SER 56 CO 0.01 -0.06 -0.13 -0.36 0.98 0.00 0.00 173.24 173.68 3aet s PHE 57 N -2.48 1.26 -0.30 5.02 0.40 -1.26 -0.82 117.98 119.80 3aet s PHE 57 Ca 0.21 -0.54 0.21 0.00 -0.60 0.00 0.00 56.93 56.21 3aet s PHE 57 Cb -0.04 -0.68 0.14 0.00 0.51 0.00 0.00 43.02 42.95 3aet s PHE 57 CO 0.09 0.08 1.33 0.66 0.70 0.00 0.00 175.22 178.08 3aet h SER 58 N 3.80 0.00 -6.27 1.36 4.64 -1.71 -3.49 113.55 111.88 3aet h SER 58 Ca -0.40 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.47 3aet h SER 58 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3aet h SER 58 CO 0.47 0.12 -0.87 0.41 -0.87 0.00 0.00 176.83 176.10 3aet n THR 59 N -2.96 -4.13 -2.63 2.95 -1.04 -1.10 -4.92 114.28 100.44 3aet n THR 59 Ca 0.01 -0.58 -0.34 0.00 -2.04 0.00 0.00 64.05 61.11 3aet n THR 59 Cb 0.59 -3.41 -0.05 0.00 -1.82 0.00 0.00 70.33 65.64 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 -3.77 3.11 0.37 -1.42 -0.71 -1.19 -4.41 117.98 109.96 3aet s PHE 60 Ca 0.07 1.59 0.01 0.00 -1.04 0.00 0.00 56.93 57.56 3aet s PHE 60 Cb -0.02 -3.00 -0.00 0.00 -1.21 0.00 0.00 43.02 38.78 3aet s PHE 60 CO 0.85 -0.59 0.02 -0.85 -1.34 0.00 0.00 175.22 173.31 3aet n GLU 61 N -0.82 1.00 -0.17 1.99 0.28 -1.26 -1.46 120.64 120.19 3aet n GLU 61 Ca 0.08 -2.74 -0.02 0.00 -0.16 0.00 0.00 57.16 54.33 3aet n GLU 61 Cb 0.53 0.88 0.07 0.00 1.43 0.00 0.00 31.44 34.35 3aet n GLU 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3aet h ALA 62 N 1.26 0.60 -0.12 -1.84 0.00 -1.99 -2.76 119.26 114.40 3aet h ALA 62 Ca -0.30 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.47 3aet h ALA 62 Cb 0.95 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 3aet h ALA 62 CO 0.50 -0.28 -0.17 -1.13 0.00 0.00 0.00 179.25 178.16 3aet n SER 63 N -5.09 5.54 -0.08 0.00 3.41 -1.26 -3.35 113.62 112.79 3aet n SER 63 Ca 0.06 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 3aet n SER 63 Cb 0.25 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 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 2.02 0.00 -2.32 7.33 8.25 -1.04 -5.10 115.22 124.35 3aet n HIS 64 Ca 0.40 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.52 3aet n HIS 64 Cb 0.80 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.90 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 3.52 0.00 -0.41 -1.94 -1.21 -4.10 119.30 115.16 3aet s MET 65 Ca 0.00 1.41 0.00 0.00 -1.71 0.00 0.00 55.69 55.39 3aet s MET 65 Cb 0.00 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.79 3aet s MET 65 CO 0.00 -0.67 0.00 0.41 -0.01 0.00 0.00 175.02 174.75 3aet n GLY 66 N -0.27 2.26 0.00 -0.03 0.00 -1.26 -4.69 105.19 101.20 3aet n GLY 66 Ca 0.10 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 1.53 0.00 -0.43 2.61 -2.24 -1.26 -2.77 114.28 111.73 3aet n THR 67 Ca 0.00 0.00 0.38 0.00 -2.27 0.00 0.00 64.05 62.16 3aet n THR 67 Cb 0.00 -0.97 0.59 0.00 -2.10 0.00 0.00 70.33 67.84 3aet n THR 67 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3aet n ASP 68 N -0.88 0.00 0.12 3.42 10.43 -1.26 -2.15 116.55 126.23 3aet n ASP 68 Ca 0.00 0.84 -0.21 0.00 2.57 0.00 0.00 54.79 57.99 3aet n ASP 68 Cb 0.00 -0.35 -0.15 0.00 1.84 0.00 0.00 41.12 42.46 3aet n ASP 68 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3aet h THR 69 N 0.00 1.33 -0.48 -3.53 1.35 -1.67 -3.09 112.91 106.83 3aet h THR 69 Ca 0.67 -2.83 0.02 0.00 -0.55 0.00 0.00 66.41 63.72 3aet h THR 69 Cb 3.22 2.98 -0.03 0.00 -1.73 0.00 0.00 68.15 72.59 3aet h THR 69 CO -0.01 0.85 0.28 0.00 -0.25 0.00 0.00 175.52 176.39 3aet h ALA 70 N 0.33 0.61 -0.42 6.62 0.00 -1.74 -2.24 119.26 122.43 3aet h ALA 70 Ca -0.22 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3aet h ALA 70 Cb 2.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 3aet h ALA 70 CO 0.24 -0.03 0.28 0.82 0.00 0.00 0.00 179.25 180.55 3aet h ILE 71 N 0.56 1.06 -0.40 0.00 2.04 -1.66 -2.25 117.51 116.86 3aet h ILE 71 Ca 0.20 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.76 3aet h ILE 71 Cb 0.03 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3aet h ILE 71 CO -0.10 0.09 -0.23 -0.07 0.00 0.00 0.00 178.15 177.84 3aet h LEU 72 N 0.49 0.90 -0.81 1.44 3.38 -1.32 -2.33 115.31 117.06 3aet h LEU 72 Ca 0.16 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3aet h LEU 72 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3aet h LEU 72 CO -0.04 1.12 0.07 0.25 0.09 0.00 0.00 178.44 179.93 3aet h LEU 73 N 0.68 0.92 0.18 1.67 5.85 -1.26 -1.41 115.31 121.94 3aet h LEU 73 Ca 0.08 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3aet h LEU 73 Cb 0.80 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3aet h LEU 73 CO 0.07 0.94 -0.48 0.50 -0.34 0.00 0.00 178.44 179.13 3aet h LYS 74 N 0.90 -0.71 0.00 1.25 3.64 -1.29 -1.02 116.57 119.35 3aet h LYS 74 Ca 0.18 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3aet h LYS 74 Cb 0.44 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3aet h LYS 74 CO 0.01 -0.47 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.21 3aet h ASP 75 N -0.74 0.00 -0.07 4.20 3.32 -1.38 0.10 116.42 121.85 3aet h ASP 75 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3aet h ASP 75 Cb 0.72 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 3aet h ASP 75 CO -0.22 0.07 -0.02 0.00 -1.72 0.00 0.00 179.24 177.35 3aet h ALA 76 N 1.93 0.10 -0.70 3.45 0.00 -0.93 -0.59 119.26 122.52 3aet h ALA 76 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3aet h ALA 76 Cb 0.40 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3aet h ALA 76 CO 0.01 -0.18 0.32 -0.07 0.00 0.00 0.00 179.25 179.33 3aet h LEU 77 N -0.20 0.92 0.36 0.00 3.38 -0.48 -0.79 115.31 118.49 3aet h LEU 77 Ca 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3aet h LEU 77 Cb 0.42 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3aet h LEU 77 CO 0.01 0.80 -0.17 0.00 0.09 0.00 0.00 178.44 179.17 3aet h ALA 78 N 1.15 -0.48 -0.38 1.53 0.00 -1.02 -1.83 119.26 118.23 3aet h ALA 78 Ca 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3aet h ALA 78 Cb 0.14 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3aet h ALA 78 CO -0.03 -0.77 0.21 0.00 0.00 0.00 0.00 179.25 178.66 3aet h ALA 79 N 0.17 0.49 -0.86 0.00 0.00 -0.98 -1.39 119.26 116.68 3aet h ALA 79 Ca -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3aet h ALA 79 Cb 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3aet h ALA 79 CO 0.08 0.02 0.50 0.00 0.00 0.00 0.00 179.25 179.85 3aet h ALA 80 N 1.07 1.10 0.68 0.00 0.00 -1.10 -1.07 119.26 119.93 3aet h ALA 80 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3aet h ALA 80 Cb 0.06 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.51 3aet h ALA 80 CO -0.02 0.58 -0.33 1.25 0.00 0.00 0.00 179.25 180.73 3aet h HIS 81 N 1.19 -0.85 -0.73 0.00 6.17 -1.02 -2.48 115.15 117.42 3aet h HIS 81 Ca 0.31 -0.02 0.14 0.00 0.71 0.00 0.00 60.37 61.51 3aet h HIS 81 Cb -0.02 0.28 -0.14 0.00 2.52 0.00 0.00 27.41 30.06 3aet h HIS 81 CO 0.00 -0.52 -0.22 0.00 0.71 0.00 0.00 177.93 177.90 3aet h ALA 82 N -1.18 0.39 -0.22 5.26 0.00 -1.16 -1.56 119.26 120.80 3aet h ALA 82 Ca -0.09 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3aet h ALA 82 Cb 0.72 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3aet h ALA 82 CO 0.15 -0.46 -0.25 -0.09 0.00 0.00 0.00 179.25 178.60 3aet h ARG 83 N -0.03 0.55 0.00 0.00 2.43 -1.23 -3.38 114.38 112.72 3aet h ARG 83 Ca 0.34 -0.30 -0.32 0.00 -0.81 0.00 0.00 59.98 58.89 3aet h ARG 83 Cb 0.55 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 3aet h ARG 83 CO -0.77 0.90 -2.20 0.66 -1.51 0.00 0.00 179.97 177.05 3aet n TYR 84 N -4.37 0.00 -3.33 2.20 4.02 -0.94 -5.05 117.16 109.69 3aet n TYR 84 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.73 3aet n TYR 84 Cb 0.44 -0.86 0.01 0.00 -0.02 0.00 0.00 39.34 38.91 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 -2.65 -1.44 -3.41 -0.72 4.76 -0.60 -5.01 118.16 109.09 3aet n LYS 85 Ca -0.29 1.14 -0.35 0.00 -2.87 0.00 0.00 58.31 55.94 3aet n LYS 85 Cb 1.07 -4.74 -0.06 0.00 -1.84 0.00 0.00 35.03 29.46 3aet n LYS 85 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3aet s PRO 86 N -3.95 3.93 0.47 1.97 0.04 -1.26 -4.99 135.00 131.21 3aet s PRO 86 Ca 0.10 0.42 0.23 0.00 0.04 0.00 0.00 61.00 61.79 3aet s PRO 86 Cb -0.03 -2.94 1.25 0.00 0.04 0.00 0.00 34.50 32.83 3aet s PRO 86 CO 0.80 0.49 1.87 1.96 0.04 0.00 0.00 177.00 182.16 3aet h GLN 87 N 3.57 0.23 0.00 4.56 4.20 -1.92 -3.44 115.11 122.31 3aet h GLN 87 Ca -0.49 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.01 3aet h GLN 87 Cb 1.19 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.88 3aet h GLN 87 CO 0.66 0.15 -0.03 0.00 -0.67 0.00 0.00 178.83 178.94 3aet n ALA 88 N -2.59 -0.67 -2.94 3.87 0.00 -1.26 -4.33 120.51 112.59 3aet n ALA 88 Ca 0.19 -1.42 -0.11 0.00 0.00 0.00 0.00 53.44 52.10 3aet n ALA 88 Cb 0.82 1.14 -0.06 0.00 0.00 0.00 0.00 19.45 21.35 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 -2.57 1.61 -0.10 0.00 -1.94 0.09 -3.37 119.30 113.01 3aet s MET 89 Ca 0.24 -1.47 -0.17 0.00 -1.71 0.00 0.00 55.69 52.57 3aet s MET 89 Cb -0.02 0.43 0.04 0.00 2.01 0.00 0.00 34.83 37.29 3aet s MET 89 CO 0.17 -0.65 0.43 0.00 -0.01 0.00 0.00 175.02 174.96 3aet s ALA 90 N -3.73 -1.09 0.02 3.03 0.00 -0.17 -1.91 121.76 117.91 3aet s ALA 90 Ca 0.28 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.23 3aet s ALA 90 Cb 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3aet s ALA 90 CO 0.13 -0.25 -0.15 0.54 0.00 0.00 0.00 175.76 176.02 3aet s VAL 91 N -0.51 1.22 0.35 0.00 0.11 0.25 -0.81 120.40 121.02 3aet s VAL 91 Ca -0.06 -0.88 -0.15 0.00 -2.93 0.00 0.00 61.98 57.96 3aet s VAL 91 Cb -0.03 -1.06 0.04 0.00 -1.53 0.00 0.00 36.38 33.79 3aet s VAL 91 CO 0.03 0.17 0.71 0.00 -3.33 0.00 0.00 175.10 172.68 3aet s ALA 92 N -0.63 -0.59 -0.15 1.54 0.00 -0.46 -0.89 121.76 120.57 3aet s ALA 92 Ca 0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 3aet s ALA 92 Cb -0.07 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 3aet s ALA 92 CO 0.01 -0.96 -0.00 -0.51 0.00 0.00 0.00 175.76 174.29 3aet s LEU 93 N -3.06 3.47 0.77 0.00 1.43 -1.26 -1.09 118.68 118.94 3aet s LEU 93 Ca 0.17 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 3aet s LEU 93 Cb -0.04 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.39 3aet s LEU 93 CO 0.12 0.20 1.11 -0.89 0.23 0.00 0.00 176.35 177.11 3aet s THR 94 N 0.19 3.08 0.33 5.49 2.01 0.14 -4.79 115.64 122.08 3aet s THR 94 Ca 0.00 0.38 0.11 0.00 0.31 0.00 0.00 61.69 62.50 3aet s THR 94 Cb -0.13 -2.81 0.32 0.00 0.01 0.00 0.00 72.50 69.88 3aet s THR 94 CO 0.02 -0.42 1.71 0.00 -0.69 0.00 0.00 174.62 175.24 3aet h THR 96 N 0.52 1.26 0.00 0.00 2.02 -1.92 -2.86 112.91 111.93 3aet h THR 96 Ca 0.67 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3aet h THR 96 Cb 1.34 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3aet h THR 96 CO -0.50 0.37 -0.00 0.00 0.37 0.00 0.00 175.52 175.75 3aet h ALA 97 N 0.94 1.00 0.00 6.16 0.00 -1.05 -2.11 119.26 124.20 3aet h ALA 97 Ca 0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3aet h ALA 97 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3aet h ALA 97 CO 0.02 0.01 -0.26 1.49 0.00 0.00 0.00 179.25 180.51 3aet h GLU 98 N 0.00 0.00 -0.27 0.00 4.81 -0.89 -2.21 114.58 116.01 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 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3aet h GLU 98 CO 0.00 0.26 0.00 1.28 -0.73 0.00 0.00 179.01 179.82 3aet n LEU 99 N -3.75 1.93 -4.90 1.64 4.77 -0.79 -4.89 117.00 111.00 3aet n LEU 99 Ca -0.01 -0.88 -0.22 0.00 -0.03 0.00 0.00 56.01 54.87 3aet n LEU 99 Cb 0.36 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3aet n LEU 99 CO 0.35 0.44 0.05 -0.76 -1.33 0.00 0.00 177.39 176.14 3aet s LEU 100 N -1.32 3.21 -0.02 2.23 1.02 -0.83 -5.07 118.68 117.91 3aet s LEU 100 Ca 0.30 -0.86 -0.09 0.00 0.02 0.00 0.00 54.13 53.50 3aet s LEU 100 Cb 0.16 -1.83 -0.30 0.00 0.02 0.00 0.00 46.19 44.23 3aet s LEU 100 CO 0.23 -0.83 0.78 1.56 0.02 0.00 0.00 176.35 178.11 3aet h GLN 101 N 0.87 0.37 -6.48 1.70 7.50 -1.90 -3.47 115.11 113.69 3aet h GLN 101 Ca -0.39 -0.63 -0.61 0.00 0.50 0.00 0.00 58.65 57.52 3aet h GLN 101 Cb 1.28 0.23 0.07 0.00 0.05 0.00 0.00 27.48 29.11 3aet h GLN 101 CO 0.55 1.27 0.59 -0.25 -1.50 0.00 0.00 178.83 179.50 3aet n ASP 102 N -3.56 2.48 -4.44 1.46 10.43 -1.26 -4.95 116.55 116.71 3aet n ASP 102 Ca -0.21 1.12 -0.36 0.00 2.57 0.00 0.00 54.79 57.92 3aet n ASP 102 Cb 1.07 -1.36 -0.13 0.00 1.84 0.00 0.00 41.12 42.54 3aet n ASP 102 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3aet s ASP 103 N 0.46 4.95 0.55 -2.24 -1.08 -1.26 -5.00 116.67 113.05 3aet s ASP 103 Ca 0.74 -0.22 0.28 0.00 -0.52 0.00 0.00 52.55 52.84 3aet s ASP 103 Cb -0.73 -1.87 1.62 0.00 -1.46 0.00 0.00 42.92 40.48 3aet s ASP 103 CO 0.46 0.01 2.16 1.55 0.52 0.00 0.00 175.17 179.87 3aet h PRO 104 N 7.92 0.00 0.29 4.34 0.13 -1.95 -2.32 132.00 140.41 3aet h PRO 104 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 3aet h PRO 104 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3aet h PRO 104 CO 0.60 0.06 -0.14 -0.97 -0.23 0.00 0.00 178.00 177.32 3aet h ASN 105 N 0.00 -0.34 -0.57 1.44 -1.24 -1.95 -3.15 115.58 109.78 3aet h ASN 105 Ca -0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3aet h ASN 105 Cb 0.17 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 3aet h ASN 105 CO 0.01 0.12 0.37 1.23 -1.29 0.00 0.00 177.43 177.87 3aet h GLY 106 N -1.10 0.82 1.27 1.57 0.00 -1.95 0.80 103.07 104.49 3aet h GLY 106 Ca -0.04 -0.32 -0.28 0.00 0.00 0.00 0.00 47.33 46.69 3aet h GLY 106 CO 0.07 0.31 -1.16 -2.22 0.00 0.00 0.00 176.54 173.54 3aet h ILE 107 N 0.79 1.30 -0.24 2.60 1.08 -1.59 -2.22 117.51 119.22 3aet h ILE 107 Ca 0.21 -2.42 -0.01 0.00 -0.39 0.00 0.00 64.86 62.26 3aet h ILE 107 Cb -0.07 2.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.25 3aet h ILE 107 CO -0.04 0.74 0.13 -1.28 -0.69 0.00 0.00 178.15 177.00 3aet h SER 108 N 0.30 0.31 0.44 1.72 0.87 -1.38 -2.62 113.55 113.20 3aet h SER 108 Ca -0.16 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 3aet h SER 108 Cb 1.82 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 3aet h SER 108 CO 0.22 0.32 -0.21 0.03 -0.53 0.00 0.00 176.83 176.66 3aet h ARG 109 N 0.28 -0.57 0.00 2.24 2.47 -0.93 -2.82 114.38 115.05 3aet h ARG 109 Ca 0.09 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3aet h ARG 109 Cb 0.09 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 3aet h ARG 109 CO -0.01 -0.36 -0.07 0.00 0.56 0.00 0.00 179.97 180.09 3aet h ALA 110 N -0.08 -0.56 -0.88 0.04 0.00 -1.39 -2.75 119.26 113.64 3aet h ALA 110 Ca -0.06 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.07 3aet h ALA 110 Cb 0.48 0.56 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 3aet h ALA 110 CO 0.10 -0.58 0.23 1.25 0.00 0.00 0.00 179.25 180.26 3aet h LEU 111 N -0.08 -0.01 -2.32 0.00 6.46 -1.59 -3.47 115.31 114.30 3aet h LEU 111 Ca 0.00 0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3aet h LEU 111 Cb 0.09 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 3aet h LEU 111 CO -0.04 -0.16 -0.63 -3.20 -0.62 0.00 0.00 178.44 173.79 3aet n ASN 112 N -5.23 -7.86 -4.91 1.25 5.15 -1.04 -5.03 115.26 97.58 3aet n ASN 112 Ca 0.21 0.67 -0.27 0.00 -0.60 0.00 0.00 54.58 54.59 3aet n ASN 112 Cb 0.69 -5.20 0.01 0.00 -0.53 0.00 0.00 39.78 34.75 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 -2.41 3.46 0.34 1.20 2.01 -1.26 -5.01 118.68 117.01 3aet s LEU 113 Ca 0.21 0.90 0.10 0.00 0.01 0.00 0.00 54.13 55.34 3aet s LEU 113 Cb -0.06 -3.82 0.84 0.00 0.01 0.00 0.00 46.19 43.16 3aet s LEU 113 CO 0.77 -0.76 1.80 -0.65 1.01 0.00 0.00 176.35 178.52 3aet h PRO 114 N 0.05 0.64 -6.19 1.29 0.11 -2.01 -3.45 132.00 122.44 3aet h PRO 114 Ca -0.46 -0.04 -0.50 0.00 0.11 0.00 0.00 66.00 65.11 3aet h PRO 114 Cb 1.22 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3aet h PRO 114 CO 0.61 0.43 -0.49 0.14 -0.21 0.00 0.00 178.00 178.47 3aet s VAL 115 N -5.72 3.93 0.32 3.15 -7.23 -1.26 -5.07 120.40 108.51 3aet s VAL 115 Ca -0.10 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 3aet s VAL 115 Cb 0.24 -3.26 -0.11 0.00 0.56 0.00 0.00 36.38 33.81 3aet s VAL 115 CO 0.80 -0.26 1.47 -2.84 -0.31 0.00 0.00 175.10 173.95 3aet s PRO 116 N -3.91 4.20 -0.20 4.82 0.02 -1.26 -4.84 135.00 133.83 3aet s PRO 116 Ca 0.37 2.44 0.01 0.00 0.02 0.00 0.00 61.00 63.84 3aet s PRO 116 Cb -0.07 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.46 3aet s PRO 116 CO 0.25 -0.46 -0.11 0.08 -0.33 0.00 0.00 177.00 176.44 3aet s VAL 117 N -0.61 1.65 -0.29 3.83 1.01 -1.26 -0.73 120.40 124.00 3aet s VAL 117 Ca 0.56 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 3aet s VAL 117 Cb -0.44 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3aet s VAL 117 CO 0.53 0.18 0.26 -0.69 0.00 0.00 0.00 175.10 175.38 3aet s VAL 118 N 1.39 5.26 0.03 2.92 1.01 -0.80 -4.89 120.40 125.32 3aet s VAL 118 Ca -0.01 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 3aet s VAL 118 Cb -0.16 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3aet s VAL 118 CO -0.08 0.17 0.75 -2.16 0.00 0.00 0.00 175.10 173.78 3aet s PRO 119 N 1.87 4.47 -0.04 2.72 0.04 -1.26 0.86 135.00 143.67 3aet s PRO 119 Ca 0.10 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.21 3aet s PRO 119 Cb -0.16 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 3aet s PRO 119 CO 0.11 0.28 -0.17 -0.51 0.04 0.00 0.00 177.00 176.75 3aet s LEU 120 N -0.02 2.57 -0.55 -3.56 1.43 -0.06 -4.93 118.68 113.55 3aet s LEU 120 Ca 0.38 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 3aet s LEU 120 Cb -0.20 -1.50 0.09 0.00 0.03 0.00 0.00 46.19 44.61 3aet s LEU 120 CO 0.22 0.34 0.63 -0.70 0.23 0.00 0.00 176.35 177.07 3aet s GLU 121 N -0.68 3.06 -0.56 1.70 2.56 -1.26 -4.59 118.70 118.92 3aet s GLU 121 Ca 0.11 -1.23 0.04 0.00 0.00 0.00 0.00 54.97 53.89 3aet s GLU 121 Cb -0.11 -4.21 0.14 0.00 2.00 0.00 0.00 34.13 31.96 3aet s GLU 121 CO 0.00 -1.37 0.31 -0.51 -0.56 0.00 0.00 175.26 173.14 3aet s LEU 122 N 2.45 4.43 -0.83 2.70 1.43 -1.26 -4.96 118.68 122.64 3aet s LEU 122 Ca 0.11 -3.21 -0.25 0.00 -1.03 0.00 0.00 54.13 49.75 3aet s LEU 122 Cb -0.23 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3aet s LEU 122 CO 0.08 -0.20 1.82 -2.16 0.23 0.00 0.00 176.35 176.12 3aet s PRO 123 N -0.57 2.74 0.00 1.29 0.04 -1.26 -4.79 135.00 132.46 3aet s PRO 123 Ca 0.19 -0.17 0.25 0.00 0.04 0.00 0.00 61.00 61.31 3aet s PRO 123 Cb -0.21 -4.88 1.38 0.00 0.04 0.00 0.00 34.50 30.83 3aet s PRO 123 CO -0.04 -2.99 1.86 0.45 0.04 0.00 0.00 177.00 176.32 3aet n SER 124 N 12.74 0.00 -0.25 6.66 2.88 -1.26 -0.28 113.62 134.12 3aet n SER 124 Ca 0.32 -0.36 0.06 0.00 -1.33 0.00 0.00 58.87 57.56 3aet n SER 124 Cb 0.49 -0.17 -0.01 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 -1.17 0.00 0.00 0.66 4.01 -1.26 -4.54 117.16 114.85 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 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 3aet n TYR 125 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3aet n SER 126 N -0.33 2.62 -2.66 7.72 3.41 -1.05 -5.10 113.62 118.21 3aet n SER 126 Ca 0.05 -0.09 -0.10 0.00 -0.26 0.00 0.00 58.87 58.47 3aet n SER 126 Cb 0.25 0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 3aet n SER 126 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3aet n ARG 127 N -0.96 1.31 -2.48 4.33 5.12 0.62 -5.10 116.66 119.51 3aet n ARG 127 Ca 0.00 -1.20 -0.05 0.00 -1.93 0.00 0.00 57.85 54.67 3aet n ARG 127 Cb 0.00 0.43 -0.01 0.00 -1.16 0.00 0.00 32.46 31.72 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 -0.38 0.22 -0.18 5.56 5.02 -1.26 -4.49 118.16 122.65 3aet n LYS 128 Ca -0.05 -1.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.12 3aet n LYS 128 Cb 0.21 0.93 -0.09 0.00 -0.02 0.00 0.00 35.03 36.05 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 -0.29 -0.91 1.97 4.81 -0.89 -0.49 114.58 118.78 3aet h GLU 129 Ca -0.09 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3aet h GLU 129 Cb 0.41 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 3aet h GLU 129 CO 0.12 -0.19 0.58 -0.91 -0.73 0.00 0.00 179.01 177.88 3aet h ASN 130 N -0.30 0.92 -0.17 1.04 2.35 -1.91 0.22 115.58 117.74 3aet h ASN 130 Ca 0.08 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3aet h ASN 130 Cb 0.52 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3aet h ASN 130 CO -0.61 0.60 0.01 0.22 -1.65 0.00 0.00 177.43 175.99 3aet h TYR 131 N 1.06 0.00 -0.66 1.19 3.20 -1.70 -2.11 116.97 117.95 3aet h TYR 131 Ca 0.39 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.40 3aet h TYR 131 Cb 0.13 0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.33 3aet h TYR 131 CO -0.02 -0.02 0.11 0.78 -1.64 0.00 0.00 178.16 177.37 3aet h GLY 132 N 0.06 0.83 1.01 1.82 0.00 0.97 0.22 103.07 107.98 3aet h GLY 132 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.42 3aet h GLY 132 CO -0.13 -0.17 0.62 0.00 0.00 0.00 0.00 176.54 176.86 3aet h ALA 133 N 1.55 1.19 0.14 3.60 0.00 -0.61 -1.70 119.26 123.43 3aet h ALA 133 Ca 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3aet h ALA 133 Cb 0.58 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3aet h ALA 133 CO -0.48 0.58 -0.07 0.22 0.00 0.00 0.00 179.25 179.50 3aet h ASP 134 N 1.27 -0.16 0.08 0.00 3.58 -0.01 -2.76 116.42 118.42 3aet h ASP 134 Ca 0.34 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3aet h ASP 134 Cb -0.14 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3aet h ASP 134 CO -0.08 0.42 -0.25 -0.08 -2.88 0.00 0.00 179.24 176.38 3aet h GLU 135 N -0.90 -0.36 -1.09 0.28 4.57 -0.95 0.91 114.58 117.04 3aet h GLU 135 Ca -0.02 0.02 0.42 0.00 -1.18 0.00 0.00 59.36 58.61 3aet h GLU 135 Cb 0.51 0.08 -0.17 0.00 -0.16 0.00 0.00 28.75 29.02 3aet h GLU 135 CO 0.03 -0.24 0.62 1.15 -1.18 0.00 0.00 179.01 179.40 3aet h THR 136 N -0.37 0.03 0.19 0.32 2.02 -1.43 0.46 112.91 114.14 3aet h THR 136 Ca -0.01 -0.01 -0.32 0.00 0.77 0.00 0.00 66.41 66.84 3aet h THR 136 Cb 0.37 -0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3aet h THR 136 CO -0.12 0.01 -1.52 0.15 0.37 0.00 0.00 175.52 174.40 3aet h PHE 137 N 0.03 0.73 0.03 3.16 3.57 -1.00 -2.51 116.94 120.96 3aet h PHE 137 Ca 0.84 -0.53 0.03 0.00 3.53 0.00 0.00 57.97 61.84 3aet h PHE 137 Cb 2.33 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 40.99 3aet h PHE 137 CO -0.01 1.51 -0.32 -0.09 -2.23 0.00 0.00 178.31 177.17 3aet h ARG 138 N 0.11 -0.47 -0.89 1.11 2.43 0.50 -1.14 114.38 116.02 3aet h ARG 138 Ca -0.26 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.01 3aet h ARG 138 Cb 2.09 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 31.69 3aet h ARG 138 CO 0.22 -0.31 0.58 0.00 -1.51 0.00 0.00 179.97 178.95 3aet h ALA 139 N 0.22 1.53 -0.24 2.80 0.00 -0.47 0.30 119.26 123.41 3aet h ALA 139 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3aet h ALA 139 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3aet h ALA 139 CO -0.24 0.33 -0.32 -0.07 0.00 0.00 0.00 179.25 178.95 3aet h LEU 140 N 1.00 0.70 -0.19 0.00 4.07 -1.19 -2.00 115.31 117.71 3aet h LEU 140 Ca 0.39 -0.50 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 3aet h LEU 140 Cb 0.22 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 3aet h LEU 140 CO -0.15 1.07 0.00 0.58 -1.08 0.00 0.00 178.44 178.86 3aet h VAL 141 N 0.35 1.25 -0.98 1.22 2.07 -0.78 -1.34 116.25 118.04 3aet h VAL 141 Ca 0.03 -0.85 0.17 0.00 0.82 0.00 0.00 66.70 66.87 3aet h VAL 141 Cb 0.90 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 32.02 3aet h VAL 141 CO 0.08 0.26 0.61 -0.09 0.02 0.00 0.00 177.57 178.45 3aet h ARG 142 N 0.09 0.75 0.00 1.57 9.65 -0.44 0.27 114.38 126.27 3aet h ARG 142 Ca 0.05 -0.05 -0.19 0.00 -1.10 0.00 0.00 59.98 58.70 3aet h ARG 142 Cb 0.38 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 3aet h ARG 142 CO 0.01 0.50 -1.08 0.00 2.80 0.00 0.00 179.97 182.19 3aet h ALA 143 N 1.61 0.56 0.00 2.80 0.00 -1.26 -3.40 119.26 119.56 3aet h ALA 143 Ca 0.53 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3aet h ALA 143 Cb 0.81 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3aet h ALA 143 CO -0.30 1.11 -1.51 1.28 0.00 0.00 0.00 179.25 179.83 3aet n LEU 144 N -3.19 0.00 -4.73 0.00 4.32 -0.51 -4.99 117.00 107.90 3aet n LEU 144 Ca -0.04 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.54 3aet n LEU 144 Cb 0.90 0.04 -0.05 0.00 -1.62 0.00 0.00 43.42 42.69 3aet n LEU 144 CO 0.44 0.04 0.49 0.00 -1.22 0.00 0.00 177.39 177.14 3aet s ALA 145 N -2.64 3.33 0.08 -1.18 0.00 0.90 -3.62 121.76 118.63 3aet s ALA 145 Ca -0.04 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.27 3aet s ALA 145 Cb 0.06 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 3aet s ALA 145 CO 0.43 -0.02 -0.15 0.14 0.00 0.00 0.00 175.76 176.16 3aet s VAL 146 N 0.29 1.22 0.44 0.00 -7.23 -1.26 -4.92 120.40 108.95 3aet s VAL 146 Ca 0.40 -1.38 -0.23 0.00 -1.81 0.00 0.00 61.98 58.96 3aet s VAL 146 Cb -0.20 -1.19 -0.10 0.00 0.56 0.00 0.00 36.38 35.45 3aet s VAL 146 CO 0.23 -0.21 0.97 -2.65 -0.31 0.00 0.00 175.10 173.12 3aet n PRO 147 N 1.19 1.24 -3.70 4.82 -0.02 -1.26 -3.88 135.00 133.38 3aet n PRO 147 Ca -0.20 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 3aet n PRO 147 Cb 0.54 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 3aet n PRO 147 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3aet s MET 148 N -2.08 1.07 0.32 -0.52 -1.94 -1.26 -4.94 119.30 109.95 3aet s MET 148 Ca 0.65 -0.80 -0.28 0.00 -1.71 0.00 0.00 55.69 53.55 3aet s MET 148 Cb -0.54 0.45 -0.09 0.00 2.01 0.00 0.00 34.83 36.65 3aet s MET 148 CO 0.56 -0.41 1.06 -2.00 -0.01 0.00 0.00 175.02 174.22 3aet s GLU 149 N -3.83 4.51 0.68 2.03 2.12 -1.26 -4.58 118.70 118.36 3aet s GLU 149 Ca 0.05 1.66 -0.16 0.00 0.36 0.00 0.00 54.97 56.88 3aet s GLU 149 Cb 0.02 -2.97 0.01 0.00 0.26 0.00 0.00 34.13 31.45 3aet s GLU 149 CO -0.10 0.13 1.18 1.03 -0.54 0.00 0.00 175.26 176.96 3aet s ARG 150 N -1.78 2.51 0.80 4.30 1.81 -1.26 -4.39 118.95 120.93 3aet s ARG 150 Ca 0.49 1.68 -0.13 0.00 -1.72 0.00 0.00 55.73 56.04 3aet s ARG 150 Cb -0.28 -1.89 0.08 0.00 -0.45 0.00 0.00 34.95 32.42 3aet s ARG 150 CO 0.35 -1.54 1.21 0.95 -0.68 0.00 0.00 175.30 175.59 3aet s THR 151 N -1.98 2.08 0.10 0.02 -4.23 0.22 -4.93 115.64 106.93 3aet s THR 151 Ca 0.73 0.04 -0.22 0.00 -1.18 0.00 0.00 61.69 61.06 3aet s THR 151 Cb -0.27 -2.47 -0.12 0.00 1.34 0.00 0.00 72.50 70.98 3aet s THR 151 CO 0.41 -0.02 1.74 -0.65 -0.54 0.00 0.00 174.62 175.56 3aet h PRO 152 N -0.83 0.11 -7.25 3.99 0.11 -1.94 -3.43 132.00 122.76 3aet h PRO 152 Ca -0.46 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.17 3aet h PRO 152 Cb 1.30 -0.02 0.07 0.00 0.11 0.00 0.00 31.00 32.45 3aet h PRO 152 CO 0.47 0.08 0.23 -2.00 -0.21 0.00 0.00 178.00 176.57 3aet s GLU 153 N -6.14 2.56 -0.09 1.05 2.56 -1.26 -5.04 118.70 112.33 3aet s GLU 153 Ca -0.13 -0.07 -0.29 0.00 0.00 0.00 0.00 54.97 54.48 3aet s GLU 153 Cb 0.07 -2.19 -0.02 0.00 2.00 0.00 0.00 34.13 33.99 3aet s GLU 153 CO 0.67 -1.00 0.96 0.08 -0.56 0.00 0.00 175.26 175.41 3aet s VAL 154 N -3.16 4.82 0.07 3.70 1.01 -1.26 -4.96 120.40 120.62 3aet s VAL 154 Ca 0.57 1.97 -0.01 0.00 0.00 0.00 0.00 61.98 64.51 3aet s VAL 154 Cb -0.11 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3aet s VAL 154 CO 0.46 0.05 -0.02 0.42 0.00 0.00 0.00 175.10 176.00 3aet s THR 155 N 1.79 0.28 0.16 3.92 -4.23 -1.26 -3.19 115.64 113.11 3aet s THR 155 Ca 0.47 -1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 59.06 3aet s THR 155 Cb -0.18 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 72.01 3aet s THR 155 CO 0.19 -0.89 0.24 0.00 -0.54 0.00 0.00 174.62 173.62 3aet s ASN 157 N -2.99 5.61 -0.38 0.00 -0.87 -1.01 0.97 114.94 116.28 3aet s ASN 157 Ca 0.19 -0.01 -0.11 0.00 -1.57 0.00 0.00 52.86 51.35 3aet s ASN 157 Cb 0.04 -1.52 0.03 0.00 -0.02 0.00 0.00 41.25 39.78 3aet s ASN 157 CO 0.01 0.14 0.22 -0.76 -2.57 0.00 0.00 177.10 174.14 3aet s LEU 158 N -2.59 4.79 -0.20 0.60 1.43 -1.07 -0.75 118.68 120.89 3aet s LEU 158 Ca 0.30 -1.00 -0.07 0.00 -1.03 0.00 0.00 54.13 52.33 3aet s LEU 158 Cb -0.12 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3aet s LEU 158 CO 0.23 -0.40 0.05 -0.76 0.23 0.00 0.00 176.35 175.70 3aet s LEU 159 N 1.56 3.64 0.00 1.79 1.02 -0.05 -1.22 118.68 125.42 3aet s LEU 159 Ca 0.02 -0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.14 3aet s LEU 159 Cb -0.19 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.08 3aet s LEU 159 CO 0.07 0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.16 3aet n GLY 160 N 3.96 1.02 3.77 -3.19 0.00 -0.95 -0.18 105.19 109.62 3aet n GLY 160 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.88 3.26 0.36 4.61 0.00 -1.26 -4.58 121.76 123.27 3aet s ALA 161 Ca 0.00 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 3aet s ALA 161 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3aet s ALA 161 CO 0.00 -0.76 0.49 0.95 0.00 0.00 0.00 175.76 176.44 3aet s THR 162 N -1.27 0.00 0.54 0.00 -4.23 -1.26 -1.89 115.64 107.53 3aet s THR 162 Ca 0.56 -1.60 -0.16 0.00 -1.18 0.00 0.00 61.69 59.31 3aet s THR 162 Cb -0.37 -2.70 -0.07 0.00 1.34 0.00 0.00 72.50 70.71 3aet s THR 162 CO 0.47 0.00 1.01 0.00 -0.54 0.00 0.00 174.62 175.56 3aet s ALA 163 N -2.87 2.96 -1.64 3.99 0.00 -0.97 -3.52 121.76 119.71 3aet s ALA 163 Ca 0.31 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3aet s ALA 163 Cb -0.01 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3aet s ALA 163 CO 0.22 -0.42 0.00 1.28 0.00 0.00 0.00 175.76 176.84 3aet n LEU 164 N -1.71 -1.29 -4.73 0.00 4.77 -1.26 -4.86 117.00 107.93 3aet n LEU 164 Ca 0.07 0.31 -0.39 0.00 -0.03 0.00 0.00 56.01 55.97 3aet n LEU 164 Cb 0.54 -2.41 -0.05 0.00 -2.33 0.00 0.00 43.42 39.17 3aet n LEU 164 CO 0.46 -0.65 0.35 -0.83 -1.33 0.00 0.00 177.39 175.39 3aet s GLY 165 N -2.28 2.60 -0.39 -0.72 0.00 -1.23 -4.99 107.32 100.31 3aet s GLY 165 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.51 3aet s GLY 165 CO 0.00 1.02 1.66 -0.12 0.00 0.00 0.00 173.10 175.66 3aet s PHE 166 N 0.48 2.00 -1.57 1.90 5.36 -1.26 -2.88 117.98 122.01 3aet s PHE 166 Ca 0.34 0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 56.94 3aet s PHE 166 Cb -0.18 -4.20 0.01 0.00 -0.34 0.00 0.00 43.02 38.31 3aet s PHE 166 CO 0.17 -2.54 0.19 0.54 -1.46 0.00 0.00 175.22 172.12 3aet n ARG 167 N 8.40 -2.73 0.18 10.12 5.12 -1.26 -4.92 116.66 131.57 3aet n ARG 167 Ca 0.20 0.88 -0.14 0.00 -1.93 0.00 0.00 57.85 56.86 3aet n ARG 167 Cb 0.48 -5.59 -0.08 0.00 -1.16 0.00 0.00 32.46 26.11 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 -0.42 -0.41 -0.42 -1.55 3.86 -1.88 -1.83 115.15 112.50 3aet h HIS 168 Ca -0.47 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 58.77 3aet h HIS 168 Cb 1.34 0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.89 3aet h HIS 168 CO 0.59 -0.11 -0.25 -2.13 0.86 0.00 0.00 177.93 176.88 3aet n ARG 169 N -5.18 -0.19 0.16 2.45 0.63 -1.26 -1.33 116.66 111.95 3aet n ARG 169 Ca -0.10 1.03 0.04 0.00 -0.92 0.00 0.00 57.85 57.90 3aet n ARG 169 Cb 0.26 -1.53 0.16 0.00 0.45 0.00 0.00 32.46 31.80 3aet n ARG 169 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3aet h ASP 170 N 0.00 0.00 -0.18 6.15 3.32 -1.91 -2.62 116.42 121.18 3aet h ASP 170 Ca 0.07 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3aet h ASP 170 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3aet h ASP 170 CO -0.40 0.44 0.01 0.44 -1.72 0.00 0.00 179.24 178.01 3aet h ASP 171 N 0.00 0.30 -0.18 6.45 3.32 -0.65 0.20 116.42 125.86 3aet h ASP 171 Ca -0.00 -0.29 0.05 0.00 0.02 0.00 0.00 57.03 56.80 3aet h ASP 171 Cb 1.18 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 3aet h ASP 171 CO 0.06 0.52 -0.43 0.58 -1.72 0.00 0.00 179.24 178.24 3aet h VAL 172 N 0.07 0.12 -0.43 -1.35 2.07 -1.03 0.29 116.25 116.00 3aet h VAL 172 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 3aet h VAL 172 Cb 0.36 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 3aet h VAL 172 CO 0.01 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.17 3aet h ALA 173 N 0.13 -0.59 -0.57 1.67 0.00 -1.35 0.11 119.26 118.66 3aet h ALA 173 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3aet h ALA 173 Cb 0.63 1.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3aet h ALA 173 CO -0.43 -0.82 0.30 1.49 0.00 0.00 0.00 179.25 179.79 3aet h GLU 174 N -0.21 0.79 -0.20 0.00 4.57 0.09 -2.35 114.58 117.26 3aet h GLU 174 Ca 0.07 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 3aet h GLU 174 Cb 0.41 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3aet h GLU 174 CO -0.52 0.59 -0.26 0.28 -1.18 0.00 0.00 179.01 177.92 3aet h VAL 175 N 0.80 1.33 -0.41 0.32 2.07 -0.12 -2.50 116.25 117.74 3aet h VAL 175 Ca 0.20 -1.45 0.08 0.00 0.82 0.00 0.00 66.70 66.36 3aet h VAL 175 Cb 0.04 1.79 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 3aet h VAL 175 CO -0.03 0.44 -0.29 0.74 0.02 0.00 0.00 177.57 178.45 3aet h THR 176 N 0.21 0.27 -0.10 2.57 2.02 -0.48 0.80 112.91 118.20 3aet h THR 176 Ca 0.03 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 3aet h THR 176 Cb 0.82 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3aet h THR 176 CO 0.06 0.00 -0.27 0.07 0.37 0.00 0.00 175.52 175.76 3aet h LYS 177 N -0.22 0.18 0.00 6.66 2.10 -1.44 0.19 116.57 124.04 3aet h LYS 177 Ca 0.18 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.75 3aet h LYS 177 Cb 0.51 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.83 3aet h LYS 177 CO -0.53 0.44 -0.14 1.37 -2.00 0.00 0.00 179.45 178.59 3aet h LEU 178 N 0.16 0.00 -0.05 7.07 8.10 -0.83 -2.53 115.31 127.24 3aet h LEU 178 Ca 0.03 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.97 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 0.04 0.14 -0.16 -0.07 -4.11 0.00 0.00 178.44 174.27 3aet h LEU 179 N 0.00 0.22 -2.03 0.17 3.38 -0.25 -3.23 115.31 113.57 3aet h LEU 179 Ca -0.00 -0.63 0.13 0.00 0.09 0.00 0.00 57.88 57.46 3aet h LEU 179 Cb 0.97 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3aet h LEU 179 CO 0.02 0.81 0.39 0.00 0.09 0.00 0.00 178.44 179.75 3aet h ALA 180 N 0.41 2.23 0.00 1.53 0.00 -0.88 0.28 119.26 122.83 3aet h ALA 180 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3aet h ALA 180 Cb 0.80 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3aet h ALA 180 CO 0.03 -0.61 0.00 1.15 0.00 0.00 0.00 179.25 179.82 3aet h THR 181 N 0.00 0.00 -0.64 0.00 2.02 -1.47 -2.74 112.91 110.08 3aet h THR 181 Ca 0.21 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3aet h THR 181 Cb 0.98 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3aet h THR 181 CO -0.00 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.12 3aet n MET 182 N -2.91 2.66 0.00 6.66 2.00 0.96 -4.62 117.12 121.88 3aet n MET 182 Ca 0.02 -2.57 0.00 0.00 0.00 0.00 0.00 57.70 55.15 3aet n MET 182 Cb 0.35 -1.56 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 1.64 1.81 3.57 3.03 0.00 -1.03 -4.90 105.19 109.29 3aet n GLY 183 Ca 0.23 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 -2.40 4.52 0.42 -0.61 1.01 -1.13 -4.85 121.20 118.15 3aet s ILE 184 Ca 0.00 0.76 -0.10 0.00 0.00 0.00 0.00 60.65 61.30 3aet s ILE 184 Cb 0.00 -4.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.01 3aet s ILE 184 CO 0.00 -0.76 0.79 -0.54 0.00 0.00 0.00 174.94 174.42 3aet s LYS 185 N 3.62 3.76 -0.08 2.79 3.01 -1.19 -3.00 119.74 128.65 3aet s LYS 185 Ca 0.36 0.47 -0.22 0.00 -1.01 0.00 0.00 55.97 55.57 3aet s LYS 185 Cb -0.11 -2.37 -0.04 0.00 -1.01 0.00 0.00 37.83 34.30 3aet s LYS 185 CO 0.24 -0.07 0.64 0.54 0.51 0.00 0.00 175.35 177.22 3aet s VAL 186 N -2.43 5.08 0.00 3.17 0.11 -1.26 -2.87 120.40 122.19 3aet s VAL 186 Ca 0.51 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.88 3aet s VAL 186 Cb -0.10 -3.98 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 3aet s VAL 186 CO 0.33 0.27 0.17 -3.20 -3.33 0.00 0.00 175.10 169.34 3aet n ASN 187 N 3.75 0.00 -3.85 3.54 4.05 0.27 -4.85 115.26 118.17 3aet n ASN 187 Ca -0.03 0.17 -0.20 0.00 0.45 0.00 0.00 54.58 54.97 3aet n ASN 187 Cb 0.51 0.00 -0.17 0.00 1.23 0.00 0.00 39.78 41.36 3aet n ASN 187 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 3aet s VAL 188 N -0.34 0.42 -0.14 3.44 -7.23 -1.26 -5.02 120.40 110.26 3aet s VAL 188 Ca 0.00 -0.02 -0.24 0.00 -1.81 0.00 0.00 61.98 59.91 3aet s VAL 188 Cb 0.00 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 3aet s VAL 188 CO 0.00 0.21 0.76 0.00 -0.31 0.00 0.00 175.10 175.76 3aet s ALA 190 N 1.69 -0.93 0.26 0.00 0.00 -0.36 -4.14 121.76 118.27 3aet s ALA 190 Ca 0.36 0.49 0.29 0.00 0.00 0.00 0.00 51.96 53.11 3aet s ALA 190 Cb -0.17 0.04 1.33 0.00 0.00 0.00 0.00 23.12 24.31 3aet s ALA 190 CO 0.14 -0.27 1.99 -1.35 0.00 0.00 0.00 175.76 176.27 3aet h PRO 191 N 3.82 0.00 -6.34 0.00 0.11 -1.79 -2.52 132.00 125.28 3aet h PRO 191 Ca -0.29 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.27 3aet h PRO 191 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3aet h PRO 191 CO 0.39 0.12 0.92 -1.17 -0.21 0.00 0.00 178.00 178.05 3aet s LEU 192 N -6.72 4.31 -1.05 2.35 2.96 -0.79 -2.97 118.68 116.77 3aet s LEU 192 Ca -0.01 2.16 -0.04 0.00 -0.22 0.00 0.00 54.13 56.02 3aet s LEU 192 Cb 0.11 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.25 3aet s LEU 192 CO 0.58 -0.80 0.90 0.61 -1.32 0.00 0.00 176.35 176.32 3aet n GLY 193 N 3.81 -0.25 3.01 7.98 0.00 0.82 -4.72 105.19 115.84 3aet n GLY 193 Ca 0.15 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.28 0.48 0.23 4.61 0.00 -1.16 -4.81 121.76 117.83 3aet s ALA 194 Ca 0.27 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.76 3aet s ALA 194 Cb -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3aet s ALA 194 CO 0.60 0.02 0.27 -1.54 0.00 0.00 0.00 175.76 175.11 3aet s SER 195 N -0.97 5.94 0.26 0.00 1.04 -1.26 -0.84 113.70 117.86 3aet s SER 195 Ca -0.05 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 3aet s SER 195 Cb -0.07 -1.65 0.53 0.00 0.10 0.00 0.00 66.02 64.93 3aet s SER 195 CO 0.00 -0.04 1.72 -0.65 0.98 0.00 0.00 173.24 175.26 3aet h PRO 196 N 1.48 0.44 -0.84 4.02 0.11 -1.79 -1.01 132.00 134.40 3aet h PRO 196 Ca -0.50 -0.03 0.21 0.00 0.11 0.00 0.00 66.00 65.79 3aet h PRO 196 Cb 1.23 -0.10 -0.15 0.00 0.11 0.00 0.00 31.00 32.09 3aet h PRO 196 CO 0.62 0.29 0.07 -0.44 -0.21 0.00 0.00 178.00 178.33 3aet h ASP 197 N 0.45 -0.28 0.42 -2.05 3.32 -1.93 0.19 116.42 116.54 3aet h ASP 197 Ca 0.45 0.22 -0.08 0.00 0.02 0.00 0.00 57.03 57.64 3aet h ASP 197 Cb 0.73 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3aet h ASP 197 CO -0.43 -0.21 -0.38 0.44 -1.72 0.00 0.00 179.24 176.94 3aet h ASP 198 N 0.11 0.00 1.06 6.45 3.45 -1.60 -3.05 116.42 122.85 3aet h ASP 198 Ca 0.49 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.95 3aet h ASP 198 Cb 0.94 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3aet h ASP 198 CO -0.72 0.38 -0.02 -0.07 -1.57 0.00 0.00 179.24 177.24 3aet h LEU 199 N 0.00 0.00 -0.20 1.55 4.07 0.04 -2.14 115.31 118.63 3aet h LEU 199 Ca -0.00 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.73 3aet h LEU 199 Cb 0.69 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.44 3aet h LEU 199 CO 0.05 0.02 -0.85 0.03 -1.08 0.00 0.00 178.44 176.61 3aet h ARG 200 N 0.00 0.59 -0.56 1.13 3.08 -1.40 -3.27 114.38 113.95 3aet h ARG 200 Ca -0.00 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.51 3aet h ARG 200 Cb 0.56 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3aet h ARG 200 CO 0.00 1.16 0.00 1.63 -1.07 0.00 0.00 179.97 181.69 3aet n LYS 201 N -3.85 0.69 -0.05 0.04 5.02 -0.80 -3.95 118.16 115.26 3aet n LYS 201 Ca -0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 3aet n LYS 201 Cb 0.78 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 34.43 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 0.25 0.34 -1.74 -0.35 3.38 -1.62 -3.34 115.31 112.22 3aet h LEU 202 Ca 0.00 -0.52 0.33 0.00 0.09 0.00 0.00 57.88 57.79 3aet h LEU 202 Cb 0.28 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3aet h LEU 202 CO 0.00 0.78 0.99 1.23 0.09 0.00 0.00 178.44 181.53 3aet h GLY 203 N -0.10 0.00 0.44 0.83 0.00 -1.69 -2.95 103.07 99.60 3aet h GLY 203 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3aet h GLY 203 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 3aet n GLN 204 N -3.78 1.16 -4.15 4.80 10.64 -1.25 -4.40 117.38 120.39 3aet n GLN 204 Ca 0.25 -0.24 -0.35 0.00 -1.83 0.00 0.00 57.00 54.84 3aet n GLN 204 Cb 1.35 -1.39 -0.10 0.00 -0.86 0.00 0.00 30.24 29.24 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 -1.97 3.36 0.18 2.61 0.00 -1.12 -0.61 121.76 124.21 3aet s ALA 205 Ca 0.36 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 3aet s ALA 205 Cb 0.17 -1.75 0.13 0.00 0.00 0.00 0.00 23.12 21.68 3aet s ALA 205 CO 0.29 0.34 1.65 0.45 0.00 0.00 0.00 175.76 178.50 3aet h HIS 206 N 6.09 -0.26 -4.38 0.00 3.86 -1.42 -3.45 115.15 115.59 3aet h HIS 206 Ca -0.42 0.04 -0.19 0.00 -1.16 0.00 0.00 60.37 58.65 3aet h HIS 206 Cb 1.18 0.19 -0.14 0.00 1.06 0.00 0.00 27.41 29.70 3aet h HIS 206 CO 0.60 -0.21 -0.58 -0.59 0.86 0.00 0.00 177.93 178.01 3aet s PHE 207 N -6.22 0.87 -0.17 2.45 -0.12 -1.23 -4.41 117.98 109.16 3aet s PHE 207 Ca -0.14 -1.20 -0.04 0.00 -0.05 0.00 0.00 56.93 55.50 3aet s PHE 207 Cb 0.16 -0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 3aet s PHE 207 CO 0.72 -0.59 -0.03 -0.80 -0.05 0.00 0.00 175.22 174.47 3aet s ASN 208 N -3.07 4.81 -0.49 1.98 0.01 -0.86 -2.40 114.94 114.92 3aet s ASN 208 Ca 0.27 -0.15 -0.22 0.00 -0.71 0.00 0.00 52.86 52.06 3aet s ASN 208 Cb 0.07 -1.80 0.04 0.00 0.41 0.00 0.00 41.25 39.97 3aet s ASN 208 CO 0.05 0.14 0.76 -0.69 -1.51 0.00 0.00 177.10 175.85 3aet s VAL 209 N 0.56 4.66 -0.69 1.60 1.01 0.07 -0.77 120.40 126.84 3aet s VAL 209 Ca -0.02 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 3aet s VAL 209 Cb -0.14 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 31.90 3aet s VAL 209 CO 0.02 -0.84 1.39 -0.22 0.00 0.00 0.00 175.10 175.46 3aet s LEU 210 N 3.22 3.22 -0.04 3.92 1.98 -1.25 -0.87 118.68 128.86 3aet s LEU 210 Ca 0.25 -0.21 -0.23 0.00 -2.89 0.00 0.00 54.13 51.05 3aet s LEU 210 Cb -0.15 -2.63 -0.17 0.00 0.66 0.00 0.00 46.19 43.90 3aet s LEU 210 CO 0.18 -1.91 0.99 0.24 -1.89 0.00 0.00 176.35 173.97 3aet h MET 211 N 10.99 -0.17 -3.90 1.98 2.86 -0.91 -3.43 114.93 122.34 3aet h MET 211 Ca -0.27 0.01 -0.58 0.00 -2.06 0.00 0.00 59.70 56.79 3aet h MET 211 Cb 1.07 0.04 -0.39 0.00 0.06 0.00 0.00 31.60 32.38 3aet h MET 211 CO 1.25 0.29 -0.76 0.71 1.06 0.00 0.00 176.91 179.46 3aet s TYR 212 N -3.67 1.97 0.25 -0.22 1.51 -1.22 -4.93 117.35 111.05 3aet s TYR 212 Ca -0.14 -1.69 -0.04 0.00 -1.01 0.00 0.00 57.07 54.20 3aet s TYR 212 Cb 0.01 -1.65 0.50 0.00 -0.11 0.00 0.00 41.96 40.71 3aet s TYR 212 CO 0.54 -0.80 1.67 -1.35 -1.11 0.00 0.00 175.55 174.50 3aet h PRO 213 N 8.03 0.23 -0.01 -1.71 0.11 -1.91 -1.79 132.00 134.95 3aet h PRO 213 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3aet h PRO 213 Cb 1.05 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3aet h PRO 213 CO 0.43 0.15 0.01 1.05 -0.21 0.00 0.00 178.00 179.44 3aet h GLU 214 N 0.24 0.00 0.00 1.05 9.09 -1.96 -2.94 114.58 120.06 3aet h GLU 214 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3aet h GLU 214 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 3aet h GLU 214 CO -0.56 0.00 -0.93 0.25 0.05 0.00 0.00 179.01 177.82 3aet n THR 215 N -3.79 0.00 -2.71 -1.06 -2.24 -0.71 -4.51 114.28 99.26 3aet n THR 215 Ca -0.03 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 3aet n THR 215 Cb 0.10 0.64 0.11 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.60 1.97 0.11 3.38 0.00 -0.97 -3.87 105.19 107.40 3aet n GLY 216 Ca -0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 3aet n GLY 216 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3aet n GLU 217 N -1.28 0.68 -0.03 1.61 2.13 -1.12 -2.22 120.64 120.41 3aet n GLU 217 Ca -0.11 0.26 -0.10 0.00 0.66 0.00 0.00 57.16 57.87 3aet n GLU 217 Cb 0.86 -1.74 -0.03 0.00 0.27 0.00 0.00 31.44 30.80 3aet n GLU 217 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3aet h SER 218 N 0.03 0.10 -0.98 4.31 0.02 -1.89 0.25 113.55 115.39 3aet h SER 218 Ca -0.36 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.62 3aet h SER 218 Cb 2.03 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.52 3aet h SER 218 CO 0.07 0.08 0.64 0.00 -1.14 0.00 0.00 176.83 176.49 3aet h ALA 219 N 1.10 1.33 -0.42 3.77 0.00 -1.84 0.14 119.26 123.33 3aet h ALA 219 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3aet h ALA 219 Cb 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3aet h ALA 219 CO -0.06 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.04 3aet h ALA 220 N 1.41 0.54 0.08 0.00 0.00 -0.96 -2.02 119.26 118.31 3aet h ALA 220 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3aet h ALA 220 Cb -0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3aet h ALA 220 CO -0.10 0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.13 3aet h ARG 221 N 0.56 -0.15 -0.89 0.00 3.08 0.33 -2.03 114.38 115.29 3aet h ARG 221 Ca 0.15 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.30 3aet h ARG 221 Cb 0.01 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 3aet h ARG 221 CO -0.03 -0.10 0.58 1.25 -1.07 0.00 0.00 179.97 180.60 3aet h HIS 222 N -0.15 0.98 0.00 3.04 2.76 -0.65 -0.70 115.15 120.42 3aet h HIS 222 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3aet h HIS 222 Cb 0.14 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.78 3aet h HIS 222 CO -0.09 0.48 0.00 -0.07 -1.30 0.00 0.00 177.93 176.94 3aet h LEU 223 N 0.93 0.00 -0.95 0.26 3.38 -1.06 -1.79 115.31 116.08 3aet h LEU 223 Ca 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 3aet h LEU 223 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3aet h LEU 223 CO -0.16 0.00 0.15 -0.08 0.09 0.00 0.00 178.44 178.44 3aet h GLU 224 N 0.00 0.92 0.00 1.13 4.81 -0.39 -2.20 114.58 118.85 3aet h GLU 224 Ca 0.00 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 3aet h GLU 224 Cb 0.63 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3aet h GLU 224 CO 0.00 0.82 -0.33 0.07 -0.73 0.00 0.00 179.01 178.84 3aet h ARG 225 N 0.88 0.00 -1.00 1.92 0.11 -1.51 -3.20 114.38 111.58 3aet h ARG 225 Ca 0.19 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.37 3aet h ARG 225 Cb 0.31 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.26 3aet h ARG 225 CO -0.00 0.16 -0.57 0.00 0.10 0.00 0.00 179.97 179.66 3aet n ALA 226 N -3.19 -0.59 -2.03 0.08 0.00 -0.69 -2.44 120.51 111.65 3aet n ALA 226 Ca -0.07 0.86 -0.03 0.00 0.00 0.00 0.00 53.44 54.21 3aet n ALA 226 Cb 0.21 -0.17 0.10 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.64 -0.96 -3.84 0.00 4.76 -1.02 -4.92 118.16 111.53 3aet n LYS 228 Ca 0.22 0.12 -0.36 0.00 -2.87 0.00 0.00 58.31 55.42 3aet n LYS 228 Cb 0.86 -3.39 -0.11 0.00 -1.84 0.00 0.00 35.03 30.55 3aet n LYS 228 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3aet s GLN 229 N -7.31 3.82 -0.11 1.97 -0.21 -0.84 -4.99 119.66 111.98 3aet s GLN 229 Ca 0.14 -0.40 -0.25 0.00 0.02 0.00 0.00 55.36 54.87 3aet s GLN 229 Cb -0.07 -3.33 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 3aet s GLN 229 CO 0.98 -0.01 0.77 -1.25 -2.12 0.00 0.00 175.29 173.67 3aet s PRO 230 N 1.15 4.37 0.05 2.91 0.04 -1.26 -3.64 135.00 138.62 3aet s PRO 230 Ca 0.05 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 61.92 3aet s PRO 230 Cb -0.14 -3.51 -0.06 0.00 0.04 0.00 0.00 34.50 30.83 3aet s PRO 230 CO 0.04 -0.13 0.44 -0.59 0.04 0.00 0.00 177.00 176.79 3aet s PHE 231 N 1.47 3.67 0.19 0.56 -0.12 -1.26 -2.04 117.98 120.46 3aet s PHE 231 Ca 0.38 0.96 -0.32 0.00 -0.05 0.00 0.00 56.93 57.91 3aet s PHE 231 Cb -0.17 -2.27 -0.11 0.00 -0.63 0.00 0.00 43.02 39.83 3aet s PHE 231 CO 0.16 0.57 1.63 0.95 -0.05 0.00 0.00 175.22 178.48 3aet s THR 232 N -1.23 2.35 -0.12 -4.49 -4.23 0.05 -4.91 115.64 103.06 3aet s THR 232 Ca 0.29 0.26 0.17 0.00 -1.18 0.00 0.00 61.69 61.23 3aet s THR 232 Cb -0.16 -3.17 -0.20 0.00 1.34 0.00 0.00 72.50 70.31 3aet s THR 232 CO 0.16 0.02 0.56 0.29 -0.54 0.00 0.00 174.62 175.12 3aet n LYS 233 N 3.81 0.64 -3.06 3.99 4.01 -1.26 -3.96 118.16 122.34 3aet n LYS 233 Ca 0.14 0.13 -0.42 0.00 -0.51 0.00 0.00 58.31 57.65 3aet n LYS 233 Cb 0.37 -1.70 -0.06 0.00 -0.51 0.00 0.00 35.03 33.13 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 -2.82 4.83 -0.17 -0.18 1.01 -1.26 -5.05 121.20 117.56 3aet s ILE 234 Ca -0.06 0.61 -0.28 0.00 0.00 0.00 0.00 60.65 60.93 3aet s ILE 234 Cb 0.08 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.41 3aet s ILE 234 CO 0.83 -0.39 0.97 -0.69 0.00 0.00 0.00 174.94 175.66 3aet s VAL 235 N 2.85 4.77 -1.31 2.92 1.01 -1.26 -4.71 120.40 124.67 3aet s VAL 235 Ca 0.26 1.93 -0.17 0.00 0.00 0.00 0.00 61.98 63.99 3aet s VAL 235 Cb -0.14 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.02 3aet s VAL 235 CO 0.16 -0.06 1.89 -0.81 0.00 0.00 0.00 175.10 176.28 3aet n PRO 236 N 5.55 2.93 -4.00 2.72 -0.04 -1.26 -4.76 135.00 136.14 3aet n PRO 236 Ca 0.09 -2.99 -0.30 0.00 -0.04 0.00 0.00 63.50 60.26 3aet n PRO 236 Cb 0.48 -3.44 -0.16 0.00 -0.04 0.00 0.00 33.50 30.33 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 4.53 1.53 0.00 0.52 1.01 -1.26 -2.02 121.20 125.51 3aet s ILE 237 Ca 0.53 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3aet s ILE 237 Cb 0.07 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 41.03 3aet s ILE 237 CO 0.04 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3aet n GLY 238 N 4.77 1.18 0.12 6.18 0.00 -1.26 -4.47 105.19 111.70 3aet n GLY 238 Ca -0.16 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 0.62 -0.49 1.61 2.07 -1.95 -1.59 116.25 116.52 3aet h VAL 239 Ca 0.00 -1.20 0.10 0.00 0.82 0.00 0.00 66.70 66.41 3aet h VAL 239 Cb 0.00 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 3aet h VAL 239 CO 0.00 0.18 -0.08 1.23 0.02 0.00 0.00 177.57 178.92 3aet h GLY 240 N -0.97 0.40 0.63 2.17 0.00 -1.99 0.27 103.07 103.59 3aet h GLY 240 Ca -0.02 0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.51 3aet h GLY 240 CO 0.03 -0.17 0.35 0.00 0.00 0.00 0.00 176.54 176.75 3aet h ALA 241 N 1.47 0.88 -0.09 3.60 0.00 -1.78 -0.84 119.26 122.50 3aet h ALA 241 Ca 0.24 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3aet h ALA 241 Cb 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3aet h ALA 241 CO -0.47 0.01 0.04 1.15 0.00 0.00 0.00 179.25 179.97 3aet h THR 242 N 0.64 1.14 -0.42 0.00 2.02 -0.13 0.33 112.91 116.48 3aet h THR 242 Ca 0.30 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 67.15 3aet h THR 242 Cb 0.22 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.82 3aet h THR 242 CO -0.20 0.12 0.07 0.03 0.37 0.00 0.00 175.52 175.91 3aet h ARG 243 N -0.01 0.19 0.00 6.66 3.08 -0.14 0.72 114.38 124.89 3aet h ARG 243 Ca 0.03 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3aet h ARG 243 Cb 0.15 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3aet h ARG 243 CO -0.00 0.13 -0.34 -0.44 -1.07 0.00 0.00 179.97 178.25 3aet h ASP 244 N 0.20 0.00 -0.33 7.04 3.32 -1.01 0.25 116.42 125.89 3aet h ASP 244 Ca 0.21 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 3aet h ASP 244 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3aet h ASP 244 CO -0.28 0.34 -0.30 0.15 -1.72 0.00 0.00 179.24 177.43 3aet h PHE 245 N 0.00 0.94 -0.56 4.55 3.57 0.06 -1.20 116.94 124.30 3aet h PHE 245 Ca -0.00 -0.28 -0.10 0.00 3.53 0.00 0.00 57.97 61.12 3aet h PHE 245 Cb 0.64 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3aet h PHE 245 CO 0.00 1.05 -0.04 -0.07 -2.23 0.00 0.00 178.31 177.02 3aet h LEU 246 N 0.56 0.99 -0.55 0.59 3.38 -0.20 -1.43 115.31 118.65 3aet h LEU 246 Ca 0.06 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3aet h LEU 246 Cb 0.88 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3aet h LEU 246 CO 0.08 1.06 0.02 0.00 0.09 0.00 0.00 178.44 179.69 3aet h ALA 247 N 1.03 0.74 -0.97 1.53 0.00 -0.93 -0.18 119.26 120.49 3aet h ALA 247 Ca 0.16 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3aet h ALA 247 Cb 0.58 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3aet h ALA 247 CO 0.03 0.55 0.64 1.49 0.00 0.00 0.00 179.25 181.96 3aet h GLU 248 N 0.85 1.20 -0.40 0.00 4.81 -1.04 -0.63 114.58 119.36 3aet h GLU 248 Ca 0.16 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.17 3aet h GLU 248 Cb 0.51 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3aet h GLU 248 CO 0.02 0.79 -0.32 0.28 -0.73 0.00 0.00 179.01 179.05 3aet h VAL 249 N 1.23 1.27 -0.91 0.32 2.07 -0.84 -1.65 116.25 117.75 3aet h VAL 249 Ca 0.38 -1.49 0.10 0.00 0.82 0.00 0.00 66.70 66.51 3aet h VAL 249 Cb -0.01 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 3aet h VAL 249 CO -0.11 0.50 0.59 -1.28 0.02 0.00 0.00 177.57 177.28 3aet h SER 250 N 0.75 0.83 -0.45 0.57 0.87 -0.54 0.91 113.55 116.50 3aet h SER 250 Ca 0.07 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 3aet h SER 250 Cb 0.91 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3aet h SER 250 CO 0.08 0.49 -0.14 0.50 -0.53 0.00 0.00 176.83 177.23 3aet h LYS 251 N 0.92 0.93 -0.01 2.24 1.63 -0.82 0.19 116.57 121.64 3aet h LYS 251 Ca 0.42 -0.34 -0.22 0.00 -0.85 0.00 0.00 60.65 59.66 3aet h LYS 251 Cb 0.40 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3aet h LYS 251 CO -0.18 1.00 -0.90 0.82 -3.45 0.00 0.00 179.45 176.73 3aet h ILE 252 N 0.82 1.41 0.00 2.00 2.04 -0.34 -3.36 117.51 120.09 3aet h ILE 252 Ca 0.13 -2.44 -0.00 0.00 1.00 0.00 0.00 64.86 63.54 3aet h ILE 252 Cb 0.68 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3aet h ILE 252 CO 0.05 0.73 -1.85 0.35 0.00 0.00 0.00 178.15 177.42 3aet n THR 253 N -3.74 0.01 0.00 -0.27 -2.24 0.22 -4.98 114.28 103.29 3aet n THR 253 Ca -0.06 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3aet n THR 253 Cb 0.81 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.46 3.12 3.77 3.38 0.00 0.66 -5.03 105.19 112.55 3aet n GLY 254 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 4.30 0.32 0.99 1.43 -1.22 -4.94 118.68 119.57 3aet s LEU 255 Ca 0.00 2.61 -0.29 0.00 -1.03 0.00 0.00 54.13 55.42 3aet s LEU 255 Cb 0.00 -3.81 -0.10 0.00 0.03 0.00 0.00 46.19 42.30 3aet s LEU 255 CO 0.00 -0.68 1.26 -2.16 0.23 0.00 0.00 176.35 175.00 3aet s PRO 256 N -2.05 4.41 -0.46 1.29 0.04 -1.26 -4.38 135.00 132.59 3aet s PRO 256 Ca 0.53 2.13 -0.28 0.00 0.04 0.00 0.00 61.00 63.42 3aet s PRO 256 Cb -0.37 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.08 3aet s PRO 256 CO 0.49 -0.11 1.48 0.54 0.04 0.00 0.00 177.00 179.44 3aet s VAL 257 N -1.15 3.79 -0.13 -0.36 0.11 -1.26 -4.92 120.40 116.48 3aet s VAL 257 Ca 0.48 0.76 -0.03 0.00 -2.93 0.00 0.00 61.98 60.26 3aet s VAL 257 Cb -0.38 -4.20 -0.03 0.00 -1.53 0.00 0.00 36.38 30.24 3aet s VAL 257 CO 0.50 -0.85 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.70 3aet s VAL 258 N 5.98 3.95 -0.02 2.04 1.01 -1.26 -5.12 120.40 126.98 3aet s VAL 258 Ca 0.61 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3aet s VAL 258 Cb -0.14 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3aet s VAL 258 CO 0.30 0.53 -0.14 0.42 0.00 0.00 0.00 175.10 176.20 3aet s THR 259 N 0.00 1.12 -0.89 3.92 -4.23 -1.26 -4.40 115.64 109.90 3aet s THR 259 Ca 0.01 -0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 59.84 3aet s THR 259 Cb -0.13 -0.95 0.23 0.00 1.34 0.00 0.00 72.50 72.99 3aet s THR 259 CO 0.03 0.32 0.82 -0.62 -0.54 0.00 0.00 174.62 174.63 3aet s ASP 260 N -0.19 6.61 -0.17 3.99 2.15 -1.26 -4.93 116.67 122.88 3aet s ASP 260 Ca 0.03 -3.09 0.10 0.00 0.43 0.00 0.00 52.55 50.01 3aet s ASP 260 Cb -0.07 -2.12 0.58 0.00 -0.30 0.00 0.00 42.92 41.01 3aet s ASP 260 CO 0.00 -0.42 1.39 -0.62 -0.17 0.00 0.00 175.17 175.35 3aet n GLU 261 N 3.35 3.76 0.07 4.34 1.02 -1.26 -4.45 120.64 127.47 3aet n GLU 261 Ca 0.17 -2.23 0.12 0.00 -0.02 0.00 0.00 57.16 55.19 3aet n GLU 261 Cb 0.42 -2.04 0.46 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.45 0.43 0.00 1.62 3.41 -1.26 -2.91 113.62 115.36 3aet n SER 262 Ca 0.20 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 3aet n SER 262 Cb 0.92 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3aet n SER 262 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3aet n THR 263 N -1.93 0.00 -2.00 6.66 5.66 -1.26 -4.97 114.28 116.44 3aet n THR 263 Ca 0.05 -0.49 -0.35 0.00 -3.05 0.00 0.00 64.05 60.20 3aet n THR 263 Cb 0.31 1.01 -0.04 0.00 -1.55 0.00 0.00 70.33 70.06 3aet n THR 263 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3aet s LEU 264 N -0.93 3.26 -0.00 1.09 0.20 -1.15 -4.84 118.68 116.30 3aet s LEU 264 Ca 0.00 0.16 0.20 0.00 0.69 0.00 0.00 54.13 55.18 3aet s LEU 264 Cb 0.00 -2.53 -0.24 0.00 -0.43 0.00 0.00 46.19 42.99 3aet s LEU 264 CO 0.00 -2.53 0.80 0.54 -0.29 0.00 0.00 176.35 174.86 3aet n ARG 265 N 9.10 0.34 -0.04 1.98 1.74 -1.26 -4.63 116.66 123.89 3aet n ARG 265 Ca 0.27 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 57.21 3aet n ARG 265 Cb 0.51 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.25 -0.59 5.56 -0.00 -1.88 -1.87 115.11 116.57 3aet h GLN 266 Ca 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.68 3aet h GLN 266 Cb 0.56 -0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.94 3aet h GLN 266 CO 0.00 0.16 0.33 -1.35 0.00 0.00 0.00 178.83 177.97 3aet h PRO 267 N 0.25 0.61 -0.17 -2.39 0.11 -1.95 -0.54 132.00 127.93 3aet h PRO 267 Ca 0.07 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3aet h PRO 267 Cb -0.02 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3aet h PRO 267 CO -0.02 0.40 -0.02 2.35 -0.21 0.00 0.00 178.00 180.50 3aet h TRP 268 N 0.63 0.35 -0.57 0.65 2.91 -1.85 0.59 115.95 118.65 3aet h TRP 268 Ca 0.26 -0.07 0.09 0.00 1.13 0.00 0.00 58.89 60.30 3aet h TRP 268 Cb 0.13 -0.09 -0.11 0.00 -0.51 0.00 0.00 29.16 28.58 3aet h TRP 268 CO -0.08 0.55 -0.42 -1.49 -1.03 0.00 0.00 178.44 175.97 3aet h TRP 269 N 0.04 -1.24 0.00 2.65 6.55 -1.05 0.35 115.95 123.26 3aet h TRP 269 Ca 0.05 0.08 -0.03 0.00 0.95 0.00 0.00 58.89 59.93 3aet h TRP 269 Cb 0.43 0.62 -0.00 0.00 -0.86 0.00 0.00 29.16 29.34 3aet h TRP 269 CO 0.04 -0.42 -0.15 1.03 -1.05 0.00 0.00 178.44 177.90 3aet h SER 270 N -0.23 0.00 1.69 -3.49 0.87 -1.00 -2.00 113.55 109.39 3aet h SER 270 Ca 0.18 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 3aet h SER 270 Cb 0.56 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3aet h SER 270 CO -0.68 0.15 -0.30 0.00 -0.53 0.00 0.00 176.83 175.47 3aet h ALA 271 N 1.85 0.80 -2.25 6.23 0.00 0.64 -3.45 119.26 123.09 3aet h ALA 271 Ca -0.00 -0.28 -0.52 0.00 0.00 0.00 0.00 54.91 54.11 3aet h ALA 271 Cb 0.64 -0.05 0.20 0.00 0.00 0.00 0.00 17.79 18.59 3aet h ALA 271 CO 0.02 0.38 0.08 0.45 0.00 0.00 0.00 179.25 180.18 3aet n SER 272 N -3.18 -0.12 0.19 0.00 2.88 0.11 -4.92 113.62 108.58 3aet n SER 272 Ca 0.03 0.39 0.06 0.00 -1.33 0.00 0.00 58.87 58.01 3aet n SER 272 Cb 0.65 -1.43 0.35 0.00 -0.75 0.00 0.00 64.21 63.03 3aet n SER 272 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3aet h VAL 273 N -1.87 0.88 0.00 2.46 2.07 -1.90 -2.01 116.25 115.87 3aet h VAL 273 Ca -0.44 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 65.60 3aet h VAL 273 Cb 1.27 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3aet h VAL 273 CO 0.40 0.36 0.00 -0.67 0.02 0.00 0.00 177.57 177.68 3aet n ASP 274 N -3.55 0.21 -0.16 0.57 4.64 -1.26 -2.54 116.55 114.46 3aet n ASP 274 Ca -0.00 0.53 0.13 0.00 -1.38 0.00 0.00 54.79 54.07 3aet n ASP 274 Cb 0.50 -0.58 0.42 0.00 -1.04 0.00 0.00 41.12 40.41 3aet n ASP 274 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 3aet n SER 275 N -1.71 0.75 0.18 1.67 7.64 -0.76 -4.38 113.62 117.01 3aet n SER 275 Ca 0.05 -0.63 0.03 0.00 1.01 0.00 0.00 58.87 59.33 3aet n SER 275 Cb 0.28 0.08 0.35 0.00 -1.01 0.00 0.00 64.21 63.92 3aet n SER 275 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3aet h THR 276 N 0.77 1.20 -0.00 0.44 1.35 -1.60 -1.65 112.91 113.42 3aet h THR 276 Ca 0.00 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3aet h THR 276 Cb 0.47 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3aet h THR 276 CO 0.00 0.38 0.00 0.00 -0.25 0.00 0.00 175.52 175.65 3aet n TYR 277 N -3.95 0.00 0.19 4.73 0.18 -1.26 -2.59 117.16 114.46 3aet n TYR 277 Ca -0.02 -0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.82 3aet n TYR 277 Cb 0.44 0.00 0.38 0.00 -0.38 0.00 0.00 39.34 39.77 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 0.24 0.00 -8.81 -3.48 3.38 -1.59 -3.44 115.31 101.61 3aet h LEU 278 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3aet h LEU 278 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3aet h LEU 278 CO 0.00 0.36 1.15 0.41 0.09 0.00 0.00 178.44 180.45 3aet n THR 279 N -3.65 0.25 -3.75 0.22 -1.04 -1.07 -1.31 114.28 103.93 3aet n THR 279 Ca -0.01 -0.13 -0.25 0.00 -2.04 0.00 0.00 64.05 61.63 3aet n THR 279 Cb 0.47 -1.35 0.04 0.00 -1.82 0.00 0.00 70.33 67.67 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 5.44 -0.41 3.73 3.41 0.00 0.41 -4.96 105.19 112.81 3aet n GLY 280 Ca 0.35 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 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 -6.23 4.60 -0.24 1.61 1.02 -0.42 -4.54 119.74 115.55 3aet s LYS 281 Ca 0.34 1.30 -0.29 0.00 0.02 0.00 0.00 55.97 57.34 3aet s LYS 281 Cb -0.17 -3.39 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 3aet s LYS 281 CO 0.80 0.18 1.11 -0.98 -0.92 0.00 0.00 175.35 175.54 3aet s ARG 282 N 0.20 4.20 -0.08 1.68 1.70 -1.26 -2.08 118.95 123.31 3aet s ARG 282 Ca 0.45 1.37 0.02 0.00 -0.47 0.00 0.00 55.73 57.10 3aet s ARG 282 Cb -0.22 -3.70 -0.02 0.00 -0.57 0.00 0.00 34.95 30.44 3aet s ARG 282 CO 0.27 -0.72 -0.12 0.54 -1.08 0.00 0.00 175.30 174.18 3aet s VAL 283 N 3.42 3.21 -0.18 4.99 0.11 -0.32 0.13 120.40 131.76 3aet s VAL 283 Ca 0.47 -0.65 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 3aet s VAL 283 Cb -0.16 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 3aet s VAL 283 CO 0.11 0.57 0.09 0.12 -3.33 0.00 0.00 175.10 172.66 3aet s PHE 284 N -0.44 3.35 -0.16 1.54 5.36 0.30 0.11 117.98 128.03 3aet s PHE 284 Ca 0.06 0.23 0.01 0.00 -0.96 0.00 0.00 56.93 56.27 3aet s PHE 284 Cb -0.12 -2.08 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 3aet s PHE 284 CO 0.02 0.30 -0.19 0.42 -1.46 0.00 0.00 175.22 174.31 3aet s ILE 285 N 0.12 2.32 0.06 3.12 1.01 -0.31 -1.60 121.20 125.92 3aet s ILE 285 Ca 0.07 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.85 3aet s ILE 285 Cb -0.12 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3aet s ILE 285 CO -0.00 0.53 -0.06 0.12 0.00 0.00 0.00 174.94 175.52 3aet s PHE 286 N 0.96 0.68 -5.00 3.97 2.19 0.12 -1.89 117.98 119.02 3aet s PHE 286 Ca -0.03 -0.69 0.00 0.00 0.33 0.00 0.00 56.93 56.54 3aet s PHE 286 Cb -0.15 -0.41 0.00 0.00 -1.31 0.00 0.00 43.02 41.15 3aet s PHE 286 CO -0.04 -0.14 0.00 0.41 1.83 0.00 0.00 175.22 177.28 3aet n GLY 287 N 0.88 -0.05 3.77 13.12 0.00 -1.19 -3.70 105.19 118.01 3aet n GLY 287 Ca -0.19 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 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 6.85 0.25 1.61 3.84 -1.26 -3.08 116.67 120.88 3aet s ASP 288 Ca 0.00 2.38 -0.03 0.00 -0.00 0.00 0.00 52.55 54.90 3aet s ASP 288 Cb 0.00 -2.62 0.49 0.00 -1.38 0.00 0.00 42.92 39.41 3aet s ASP 288 CO 0.00 -0.45 1.31 0.61 -0.00 0.00 0.00 175.17 176.64 3aet n GLY 289 N 0.85 -1.29 0.25 2.12 0.00 -1.26 -1.79 105.19 104.06 3aet n GLY 289 Ca 0.01 0.86 -0.11 0.00 0.00 0.00 0.00 46.02 46.79 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 1.28 0.00 2.61 2.02 -1.95 -3.03 112.91 113.84 3aet h THR 290 Ca 0.45 -1.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 3aet h THR 290 Cb 0.80 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3aet h THR 290 CO -0.83 0.51 -0.02 0.45 0.37 0.00 0.00 175.52 176.00 3aet h HIS 291 N 0.66 0.00 0.22 3.16 3.86 -1.68 -2.68 115.15 118.69 3aet h HIS 291 Ca 0.06 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.95 3aet h HIS 291 Cb 0.95 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.45 3aet h HIS 291 CO 0.05 0.02 -1.42 0.28 0.86 0.00 0.00 177.93 177.72 3aet h VAL 292 N 0.00 1.25 -0.09 2.45 2.07 -1.44 -1.02 116.25 119.47 3aet h VAL 292 Ca -0.00 -2.63 -0.05 0.00 0.82 0.00 0.00 66.70 64.84 3aet h VAL 292 Cb 0.86 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 3aet h VAL 292 CO 0.00 0.80 -0.17 0.40 0.02 0.00 0.00 177.57 178.63 3aet h ILE 293 N 0.04 1.17 0.01 4.57 2.04 -1.50 -1.74 117.51 122.10 3aet h ILE 293 Ca -0.26 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 3aet h ILE 293 Cb 2.07 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3aet h ILE 293 CO 0.23 0.23 -0.00 0.00 0.00 0.00 0.00 178.15 178.61 3aet h ALA 294 N 1.71 -0.01 -0.85 1.87 0.00 -1.46 -3.26 119.26 117.26 3aet h ALA 294 Ca 0.03 -0.42 0.17 0.00 0.00 0.00 0.00 54.91 54.68 3aet h ALA 294 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 3aet h ALA 294 CO 0.02 -0.04 0.40 0.00 0.00 0.00 0.00 179.25 179.63 3aet h ALA 295 N -0.03 1.29 -0.29 0.00 0.00 -1.10 -2.64 119.26 116.48 3aet h ALA 295 Ca -0.00 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3aet h ALA 295 Cb 0.84 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3aet h ALA 295 CO 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 179.25 178.77 3aet h ALA 296 N 1.60 0.94 -0.47 0.00 0.00 -1.39 0.36 119.26 120.31 3aet h ALA 296 Ca 0.48 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3aet h ALA 296 Cb 0.77 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3aet h ALA 296 CO -0.42 0.61 -0.03 -0.09 0.00 0.00 0.00 179.25 179.32 3aet h ARG 297 N 0.51 0.85 0.64 0.00 2.43 -1.52 -1.80 114.38 115.50 3aet h ARG 297 Ca 0.06 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 3aet h ARG 297 Cb 0.77 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3aet h ARG 297 CO 0.06 0.92 -0.31 0.82 -1.51 0.00 0.00 179.97 179.95 3aet h ILE 298 N 0.70 0.32 -0.80 1.20 2.04 -1.09 0.04 117.51 119.91 3aet h ILE 298 Ca 0.13 -0.15 0.16 0.00 1.00 0.00 0.00 64.86 66.00 3aet h ILE 298 Cb 0.55 0.37 -0.15 0.00 -0.74 0.00 0.00 36.82 36.85 3aet h ILE 298 CO 0.03 0.02 -0.21 0.00 0.00 0.00 0.00 178.15 177.99 3aet h ALA 299 N -0.68 0.50 0.14 1.87 0.00 -0.27 0.17 119.26 120.99 3aet h ALA 299 Ca -0.09 0.31 -0.36 0.00 0.00 0.00 0.00 54.91 54.77 3aet h ALA 299 Cb 0.69 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3aet h ALA 299 CO 0.15 -0.42 -1.89 0.00 0.00 0.00 0.00 179.25 177.08 3aet h ALA 300 N 1.77 0.35 0.00 0.00 0.00 -1.34 0.92 119.26 120.97 3aet h ALA 300 Ca 0.38 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3aet h ALA 300 Cb 0.59 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3aet h ALA 300 CO -0.83 1.23 -1.52 1.63 0.00 0.00 0.00 179.25 179.76 3aet n LYS 301 N -3.50 0.78 -0.03 0.00 5.02 -0.00 -3.73 118.16 116.70 3aet n LYS 301 Ca -0.28 -0.12 -0.01 0.00 -2.02 0.00 0.00 58.31 55.88 3aet n LYS 301 Cb 1.06 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 34.65 3aet n LYS 301 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3aet n GLU 302 N -1.91 1.99 -0.04 1.97 1.02 0.40 -4.76 120.64 119.30 3aet n GLU 302 Ca -0.02 -0.03 -0.03 0.00 -0.02 0.00 0.00 57.16 57.07 3aet n GLU 302 Cb 0.38 -1.19 -0.09 0.00 -0.02 0.00 0.00 31.44 30.53 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 -2.11 0.58 -1.47 2.62 0.31 -0.01 -4.89 118.33 113.36 3aet n VAL 303 Ca -0.09 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 3aet n VAL 303 Cb 0.57 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 2.20 0.81 3.89 2.92 0.00 -0.75 -4.68 105.19 109.59 3aet n GLY 304 Ca -0.14 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.02 3.44 -0.36 1.61 0.08 0.31 0.16 117.98 121.20 3aet s PHE 305 Ca 0.00 0.97 -0.15 0.00 0.12 0.00 0.00 56.93 57.86 3aet s PHE 305 Cb 0.00 -2.73 -0.00 0.00 -0.57 0.00 0.00 43.02 39.72 3aet s PHE 305 CO 0.00 -0.76 0.36 -2.00 -0.10 0.00 0.00 175.22 172.71 3aet s GLU 306 N -5.09 3.42 -0.25 0.44 2.12 -0.88 -4.02 118.70 114.44 3aet s GLU 306 Ca 0.54 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 3aet s GLU 306 Cb -0.11 -3.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.42 3aet s GLU 306 CO 0.49 -0.60 1.43 0.08 -0.54 0.00 0.00 175.26 176.12 3aet s VAL 307 N 1.97 3.97 -0.95 3.70 1.01 -1.26 -1.17 120.40 127.67 3aet s VAL 307 Ca 0.10 1.11 0.14 0.00 0.00 0.00 0.00 61.98 63.33 3aet s VAL 307 Cb -0.17 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 3aet s VAL 307 CO 0.12 -0.36 0.67 0.55 0.00 0.00 0.00 175.10 176.08 3aet n VAL 308 N 6.17 0.00 -3.53 2.92 3.14 0.12 -4.90 118.33 122.24 3aet n VAL 308 Ca 0.16 -0.27 -0.15 0.00 -2.96 0.00 0.00 64.34 61.13 3aet n VAL 308 Cb 0.46 1.08 -0.05 0.00 -1.06 0.00 0.00 33.84 34.27 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 -1.99 -0.48 -0.27 7.55 0.00 -1.22 -4.84 107.32 106.08 3aet s GLY 309 Ca 0.08 1.46 -0.14 0.00 0.00 0.00 0.00 44.72 46.12 3aet s GLY 309 CO 0.45 0.88 0.64 -0.29 0.00 0.00 0.00 173.10 174.78 3aet s MET 310 N -1.48 0.64 0.12 2.90 1.75 -1.25 -1.16 119.30 120.81 3aet s MET 310 Ca -0.06 1.21 -0.26 0.00 -1.25 0.00 0.00 55.69 55.33 3aet s MET 310 Cb -0.00 0.25 0.08 0.00 2.84 0.00 0.00 34.83 38.00 3aet s MET 310 CO 0.04 -0.16 1.04 0.20 -0.65 0.00 0.00 175.02 175.49 3aet s GLY 311 N 1.86 -0.24 0.17 2.11 0.00 -0.79 -1.10 107.32 109.33 3aet s GLY 311 Ca -0.09 0.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.69 3aet s GLY 311 CO -0.19 0.29 0.39 0.00 0.00 0.00 0.00 173.10 173.59 3aet n TYR 313 N -0.26 0.16 -3.26 0.00 4.11 -1.18 -1.92 117.16 114.81 3aet n TYR 313 Ca -0.10 0.05 -0.42 0.00 -0.00 0.00 0.00 57.90 57.43 3aet n TYR 313 Cb 0.63 -0.45 -0.08 0.00 -0.00 0.00 0.00 39.34 39.43 3aet n TYR 313 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3aet s ASN 314 N -4.24 6.27 0.28 9.48 4.22 -1.26 -4.39 114.94 125.31 3aet s ASN 314 Ca -0.02 -0.23 0.03 0.00 -2.14 0.00 0.00 52.86 50.50 3aet s ASN 314 Cb 0.14 -2.26 0.67 0.00 1.28 0.00 0.00 41.25 41.08 3aet s ASN 314 CO 0.87 -0.52 1.72 0.03 -2.04 0.00 0.00 177.10 177.16 3aet h ARG 315 N 8.57 0.49 -0.96 3.55 2.47 -1.96 -2.58 114.38 123.96 3aet h ARG 315 Ca -0.27 -0.03 0.28 0.00 -1.26 0.00 0.00 59.98 58.69 3aet h ARG 315 Cb 1.12 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.29 3aet h ARG 315 CO 0.78 0.32 0.75 0.93 0.56 0.00 0.00 179.97 183.32 3aet h GLU 316 N 0.50 0.00 -0.47 0.04 3.07 -2.00 0.54 114.58 116.26 3aet h GLU 316 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 3aet h GLU 316 Cb 0.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 3aet h GLU 316 CO -0.46 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 175.82 3aet n MET 317 N -4.04 2.86 0.21 2.33 2.81 -0.97 -4.72 117.12 115.60 3aet n MET 317 Ca 0.20 -2.28 0.08 0.00 -1.81 0.00 0.00 57.70 53.89 3aet n MET 317 Cb 1.08 -1.39 0.61 0.00 -0.71 0.00 0.00 33.22 32.81 3aet n MET 317 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3aet h ALA 318 N 2.77 1.97 0.11 3.04 0.00 -0.99 -2.56 119.26 123.60 3aet h ALA 318 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3aet h ALA 318 Cb 0.85 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.62 3aet h ALA 318 CO 0.01 0.02 -0.75 0.07 0.00 0.00 0.00 179.25 178.61 3aet h ARG 319 N 0.09 0.23 -1.00 0.00 0.11 -1.84 -0.26 114.38 111.71 3aet h ARG 319 Ca 0.03 -0.40 0.20 0.00 0.10 0.00 0.00 59.98 59.91 3aet h ARG 319 Cb 0.02 0.15 -0.10 0.00 1.11 0.00 0.00 29.97 31.15 3aet h ARG 319 CO -0.01 1.19 0.61 -1.35 0.10 0.00 0.00 179.97 180.52 3aet h PRO 320 N -0.49 0.69 0.34 0.08 0.11 -1.90 -1.65 132.00 129.19 3aet h PRO 320 Ca -0.14 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 3aet h PRO 320 Cb 1.53 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3aet h PRO 320 CO 0.11 0.46 -0.17 1.25 -0.21 0.00 0.00 178.00 179.44 3aet h LEU 321 N 0.71 -0.39 -0.92 2.35 5.85 -1.46 -1.96 115.31 119.49 3aet h LEU 321 Ca 0.57 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 59.30 3aet h LEU 321 Cb 0.96 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 3aet h LEU 321 CO -0.36 -0.02 0.51 0.03 -0.34 0.00 0.00 178.44 178.26 3aet h ARG 322 N -0.81 0.67 0.18 1.25 3.08 -0.81 0.36 114.38 118.30 3aet h ARG 322 Ca -0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3aet h ARG 322 Cb 0.52 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3aet h ARG 322 CO 0.08 0.44 -0.12 1.15 -1.07 0.00 0.00 179.97 180.45 3aet h THR 323 N 0.69 0.00 -0.39 2.04 2.02 -1.33 -2.59 112.91 113.35 3aet h THR 323 Ca 0.52 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.78 3aet h THR 323 Cb 0.76 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 3aet h THR 323 CO -0.37 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.36 3aet h ALA 324 N -1.70 0.17 -0.67 6.16 0.00 -0.52 -2.36 119.26 120.33 3aet h ALA 324 Ca -0.02 0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.18 3aet h ALA 324 Cb 0.23 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 3aet h ALA 324 CO 0.02 -0.51 0.09 0.00 0.00 0.00 0.00 179.25 178.84 3aet h ALA 325 N 1.26 0.77 -0.53 0.00 0.00 -0.35 0.51 119.26 120.91 3aet h ALA 325 Ca 0.19 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.39 3aet h ALA 325 Cb 0.37 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 3aet h ALA 325 CO -0.44 -0.36 -0.07 0.00 0.00 0.00 0.00 179.25 178.37 3aet h ALA 326 N 1.58 0.43 0.00 0.00 0.00 -1.00 0.12 119.26 120.39 3aet h ALA 326 Ca 0.37 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3aet h ALA 326 Cb 0.61 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3aet h ALA 326 CO -0.52 -0.42 0.57 0.93 0.00 0.00 0.00 179.25 179.81 3aet h GLU 327 N 0.05 0.00 -0.45 0.00 5.08 -0.83 1.03 114.58 119.46 3aet h GLU 327 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3aet h GLU 327 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3aet h GLU 327 CO -0.50 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.17 3aet n TYR 328 N -2.73 0.96 -2.56 4.33 4.02 0.37 -4.94 117.16 116.62 3aet n TYR 328 Ca -0.01 -0.63 -0.12 0.00 -0.01 0.00 0.00 57.90 57.13 3aet n TYR 328 Cb 0.60 -0.17 0.01 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.55 -0.01 3.08 2.72 0.00 0.35 -5.01 105.19 106.87 3aet n GLY 329 Ca 0.20 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.75 2.18 -0.38 0.99 1.02 -0.88 -5.00 118.68 112.86 3aet s LEU 330 Ca 0.12 -0.44 -0.15 0.00 0.02 0.00 0.00 54.13 53.68 3aet s LEU 330 Cb -0.05 -0.35 0.00 0.00 0.02 0.00 0.00 46.19 45.81 3aet s LEU 330 CO 0.15 -0.07 0.34 -0.70 0.02 0.00 0.00 176.35 176.10 3aet s GLU 331 N -1.18 3.27 0.85 1.70 2.12 -1.26 -2.38 118.70 121.82 3aet s GLU 331 Ca -0.03 -0.71 -0.14 0.00 0.36 0.00 0.00 54.97 54.44 3aet s GLU 331 Cb -0.08 -3.89 -0.00 0.00 0.26 0.00 0.00 34.13 30.42 3aet s GLU 331 CO 0.01 -0.65 0.45 0.00 -0.54 0.00 0.00 175.26 174.53 3aet n ALA 332 N 5.32 -2.12 -3.96 6.30 0.00 -1.26 -4.76 120.51 120.03 3aet n ALA 332 Ca -0.10 -0.44 -0.31 0.00 0.00 0.00 0.00 53.44 52.60 3aet n ALA 332 Cb 0.48 -1.82 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.56 4.29 -0.41 0.00 1.98 -0.26 -4.96 118.68 118.75 3aet s LEU 333 Ca 0.61 -2.24 -0.16 0.00 -2.89 0.00 0.00 54.13 49.44 3aet s LEU 333 Cb -0.27 -1.51 0.02 0.00 0.66 0.00 0.00 46.19 45.09 3aet s LEU 333 CO 0.63 -0.36 0.36 -0.63 -1.89 0.00 0.00 176.35 174.47 3aet s ILE 334 N 0.79 5.18 -0.15 6.68 -1.09 -1.26 -2.11 121.20 129.23 3aet s ILE 334 Ca 0.12 -0.49 -0.26 0.00 -2.23 0.00 0.00 60.65 57.79 3aet s ILE 334 Cb -0.20 -3.98 0.06 0.00 -1.58 0.00 0.00 42.46 36.77 3aet s ILE 334 CO -0.09 -0.35 0.65 0.28 -1.23 0.00 0.00 174.94 174.20 3aet s THR 335 N 1.90 0.00 -0.71 2.92 -1.32 -0.81 -5.00 115.64 112.62 3aet s THR 335 Ca 0.08 -0.03 0.14 0.00 -1.21 0.00 0.00 61.69 60.68 3aet s THR 335 Cb -0.18 -0.94 -0.15 0.00 -1.51 0.00 0.00 72.50 69.72 3aet s THR 335 CO 0.12 -0.02 0.62 -0.90 -2.21 0.00 0.00 174.62 172.23 3aet n ASP 336 N 1.86 0.72 -4.66 8.08 5.68 -1.26 -3.58 116.55 123.39 3aet n ASP 336 Ca -0.17 -0.86 -0.43 0.00 -0.50 0.00 0.00 54.79 52.84 3aet n ASP 336 Cb 0.56 0.98 -0.02 0.00 -1.14 0.00 0.00 41.12 41.49 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 -2.34 6.83 0.39 -1.12 -1.08 -1.26 -4.60 116.67 113.49 3aet s ASP 337 Ca 0.06 1.83 0.18 0.00 -0.52 0.00 0.00 52.55 54.10 3aet s ASP 337 Cb 0.11 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.84 3aet s ASP 337 CO 0.58 -0.84 1.81 0.10 0.52 0.00 0.00 175.17 177.34 3aet h TYR 338 N 8.75 0.00 0.00 -5.34 -0.00 -1.92 -2.94 116.97 115.52 3aet h TYR 338 Ca -0.30 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.39 3aet h TYR 338 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.85 3aet h TYR 338 CO 0.83 0.34 -0.15 -0.07 -0.00 0.00 0.00 178.16 179.11 3aet h LEU 339 N 0.00 0.00 -0.05 0.10 3.38 -1.99 0.63 115.31 117.38 3aet h LEU 339 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3aet h LEU 339 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3aet h LEU 339 CO 0.04 0.15 -0.02 -0.08 0.09 0.00 0.00 178.44 178.63 3aet h GLU 340 N 0.00 0.10 -0.74 1.13 4.57 -1.93 -2.53 114.58 115.18 3aet h GLU 340 Ca -0.00 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.23 3aet h GLU 340 Cb 0.29 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.80 3aet h GLU 340 CO 0.02 0.46 0.39 0.28 -1.18 0.00 0.00 179.01 178.99 3aet h VAL 341 N -0.26 0.88 -0.67 0.32 2.07 -1.16 0.17 116.25 117.60 3aet h VAL 341 Ca 0.01 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3aet h VAL 341 Cb 0.43 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3aet h VAL 341 CO 0.01 0.12 0.42 -0.08 0.02 0.00 0.00 177.57 178.06 3aet h GLU 342 N 0.67 0.82 -0.29 1.57 4.81 -0.96 -0.54 114.58 120.66 3aet h GLU 342 Ca 0.36 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 3aet h GLU 342 Cb 0.34 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3aet h GLU 342 CO -0.25 0.54 0.12 0.87 -0.73 0.00 0.00 179.01 179.56 3aet h LYS 343 N 0.84 0.44 -0.21 1.92 1.57 -0.57 -2.04 116.57 118.52 3aet h LYS 343 Ca 0.27 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3aet h LYS 343 Cb -0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3aet h LYS 343 CO -0.09 0.45 0.09 0.00 -0.57 0.00 0.00 179.45 179.33 3aet h ALA 344 N 0.96 0.24 -0.80 3.86 0.00 -0.51 -1.00 119.26 122.02 3aet h ALA 344 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3aet h ALA 344 Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3aet h ALA 344 CO -0.01 -0.32 0.43 0.82 0.00 0.00 0.00 179.25 180.17 3aet h ILE 345 N 0.21 1.24 -0.62 0.00 2.04 -1.05 0.19 117.51 119.52 3aet h ILE 345 Ca 0.09 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3aet h ILE 345 Cb 0.03 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 3aet h ILE 345 CO -0.07 0.27 0.33 -0.33 0.00 0.00 0.00 178.15 178.36 3aet h GLU 346 N 1.12 0.87 0.89 2.37 5.08 -1.17 0.45 114.58 124.18 3aet h GLU 346 Ca 0.28 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3aet h GLU 346 Cb 0.05 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.14 3aet h GLU 346 CO -0.04 0.66 -0.43 0.00 -1.00 0.00 0.00 179.01 178.20 3aet h ALA 347 N 1.16 -1.19 -0.33 3.43 0.00 -0.69 -3.03 119.26 118.61 3aet h ALA 347 Ca 0.22 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3aet h ALA 347 Cb 0.05 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3aet h ALA 347 CO -0.03 -1.17 0.23 0.00 0.00 0.00 0.00 179.25 178.28 3aet h ALA 348 N -1.07 2.19 -5.99 0.00 0.00 -0.63 -3.47 119.26 110.29 3aet h ALA 348 Ca -0.12 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.39 3aet h ALA 348 Cb 0.91 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.79 3aet h ALA 348 CO 0.20 -0.28 -0.85 0.00 0.00 0.00 0.00 179.25 178.32 3aet n ALA 349 N -2.58 -2.20 -1.73 0.00 0.00 0.15 -4.96 120.51 109.19 3aet n ALA 349 Ca 0.04 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 3aet n ALA 349 Cb 0.34 -3.00 0.11 0.00 0.00 0.00 0.00 19.45 16.90 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 -5.70 1.66 -0.00 0.00 0.04 -1.26 -4.98 135.00 124.77 3aet s PRO 350 Ca 0.17 0.22 0.21 0.00 0.04 0.00 0.00 61.00 61.64 3aet s PRO 350 Cb -0.04 -1.91 -0.24 0.00 0.04 0.00 0.00 34.50 32.35 3aet s PRO 350 CO 0.81 -1.83 0.86 0.39 0.04 0.00 0.00 177.00 177.27 3aet n GLU 351 N -3.50 0.07 -3.71 4.56 1.02 0.36 -4.94 120.64 114.50 3aet n GLU 351 Ca 0.07 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.08 3aet n GLU 351 Cb 0.60 -1.50 -0.11 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 -3.15 0.09 -0.05 -4.62 2.96 -0.84 -4.20 118.68 108.87 3aet s LEU 352 Ca 0.06 0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 54.84 3aet s LEU 352 Cb 0.16 1.38 -0.03 0.00 0.50 0.00 0.00 46.19 48.19 3aet s LEU 352 CO 0.87 -0.18 -0.01 -0.63 -1.32 0.00 0.00 176.35 175.09 3aet s ILE 353 N 0.97 4.18 -0.14 6.68 1.01 -1.08 -0.54 121.20 132.28 3aet s ILE 353 Ca -0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3aet s ILE 353 Cb -0.06 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.65 3aet s ILE 353 CO -0.08 0.52 -0.04 -0.76 0.00 0.00 0.00 174.94 174.58 3aet s LEU 354 N -1.14 1.29 0.00 2.97 1.43 -0.63 -1.41 118.68 121.19 3aet s LEU 354 Ca 0.16 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3aet s LEU 354 Cb -0.11 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.32 3aet s LEU 354 CO 0.05 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3aet n GLY 355 N 4.95 3.07 2.41 -3.19 0.00 -0.70 -0.70 105.19 111.02 3aet n GLY 355 Ca -0.11 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 3aet n GLY 355 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3aet n THR 356 N 0.00 0.00 -0.20 2.61 -2.24 -1.26 -0.46 114.28 112.72 3aet n THR 356 Ca 0.00 -1.51 0.21 0.00 -2.27 0.00 0.00 64.05 60.48 3aet n THR 356 Cb 0.00 0.13 0.58 0.00 -2.10 0.00 0.00 70.33 68.93 3aet n THR 356 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3aet h GLN 357 N 0.00 0.27 -0.14 -0.78 5.75 -1.75 0.84 115.11 119.30 3aet h GLN 357 Ca -0.26 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.20 3aet h GLN 357 Cb 0.83 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.31 3aet h GLN 357 CO 0.42 0.18 -0.03 1.98 -2.65 0.00 0.00 178.83 178.73 3aet h MET 358 N 0.28 0.27 -0.76 1.69 4.05 -1.95 -2.05 114.93 116.47 3aet h MET 358 Ca 0.44 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.70 3aet h MET 358 Cb 1.27 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.02 3aet h MET 358 CO -0.12 0.55 0.27 0.93 0.23 0.00 0.00 176.91 178.77 3aet h GLU 359 N -0.02 1.15 -0.95 0.39 3.07 -1.29 0.10 114.58 117.04 3aet h GLU 359 Ca 0.04 -0.23 0.15 0.00 -0.50 0.00 0.00 59.36 58.82 3aet h GLU 359 Cb 0.45 -0.18 -0.09 0.00 -0.84 0.00 0.00 28.75 28.08 3aet h GLU 359 CO 0.01 0.96 0.56 0.00 -1.40 0.00 0.00 179.01 179.14 3aet h ARG 360 N 1.11 0.77 -0.13 2.33 2.47 -0.96 0.32 114.38 120.29 3aet h ARG 360 Ca 0.25 -0.05 -0.15 0.00 -1.26 0.00 0.00 59.98 58.77 3aet h ARG 360 Cb 0.26 -0.17 0.01 0.00 -1.65 0.00 0.00 29.97 28.41 3aet h ARG 360 CO -0.01 0.51 -0.49 -0.97 0.56 0.00 0.00 179.97 179.56 3aet h ASN 361 N 0.80 0.67 -0.90 7.04 -0.73 -0.36 -1.37 115.58 120.72 3aet h ASN 361 Ca 0.51 -0.61 0.05 0.00 1.87 0.00 0.00 56.30 58.12 3aet h ASN 361 Cb 0.67 -0.20 -0.06 0.00 0.27 0.00 0.00 38.32 39.00 3aet h ASN 361 CO -0.33 1.17 0.57 0.40 -0.37 0.00 0.00 177.43 178.87 3aet h ILE 362 N 0.21 1.08 -0.66 2.57 2.04 -0.43 -1.31 117.51 121.01 3aet h ILE 362 Ca -0.02 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3aet h ILE 362 Cb 1.12 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3aet h ILE 362 CO 0.10 0.19 0.25 0.00 0.00 0.00 0.00 178.15 178.70 3aet h ALA 363 N 1.41 0.87 0.10 1.87 0.00 -0.28 -0.70 119.26 122.52 3aet h ALA 363 Ca 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3aet h ALA 363 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3aet h ALA 363 CO -0.16 0.50 -0.10 0.87 0.00 0.00 0.00 179.25 180.36 3aet h LYS 364 N 0.95 -0.21 -0.90 0.00 1.57 -0.77 -0.43 116.57 116.78 3aet h LYS 364 Ca 0.22 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.19 3aet h LYS 364 Cb 0.23 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3aet h LYS 364 CO -0.02 -0.14 0.58 0.87 -0.57 0.00 0.00 179.45 180.18 3aet h LYS 365 N -0.22 0.54 -0.20 3.15 1.57 -0.56 -1.60 116.57 119.25 3aet h LYS 365 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3aet h LYS 365 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3aet h LYS 365 CO -0.03 0.36 0.00 1.28 -0.57 0.00 0.00 179.45 180.49 3aet n LEU 366 N -4.56 2.94 -3.34 2.94 4.77 -0.33 -4.96 117.00 114.46 3aet n LEU 366 Ca 0.19 -1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 54.85 3aet n LEU 366 Cb 0.58 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.64 3aet n LEU 366 CO 0.29 0.57 0.15 0.61 -1.33 0.00 0.00 177.39 177.68 3aet n GLY 367 N 1.38 -0.37 3.29 -0.72 0.00 -0.29 -5.03 105.19 103.46 3aet n GLY 367 Ca 0.17 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.42 2.09 0.77 0.99 1.43 -0.52 -5.05 118.68 111.98 3aet s LEU 368 Ca 0.21 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 3aet s LEU 368 Cb -0.09 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 3aet s LEU 368 CO 0.69 0.27 0.62 -2.65 0.23 0.00 0.00 176.35 175.51 3aet n PRO 369 N 2.24 0.20 -3.59 1.29 -0.02 -1.26 -4.49 135.00 129.38 3aet n PRO 369 Ca -0.16 0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.30 3aet n PRO 369 Cb 0.52 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.47 1.48 -0.22 0.00 0.00 -0.50 -4.77 121.76 117.29 3aet s ALA 371 Ca -0.03 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.43 3aet s ALA 371 Cb -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3aet s ALA 371 CO 0.02 0.05 0.43 0.08 0.00 0.00 0.00 175.76 176.35 3aet s VAL 372 N -2.43 5.16 0.00 0.00 1.01 -1.26 -1.73 120.40 121.16 3aet s VAL 372 Ca 0.11 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3aet s VAL 372 Cb -0.03 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3aet s VAL 372 CO 0.03 0.20 0.68 2.30 0.00 0.00 0.00 175.10 178.31 3aet n ILE 373 N 4.58 0.41 -3.56 2.22 -5.35 0.39 -4.90 119.36 113.15 3aet n ILE 373 Ca -0.07 -0.65 -0.13 0.00 -0.27 0.00 0.00 62.75 61.62 3aet n ILE 373 Cb 0.51 0.85 -0.05 0.00 -1.74 0.00 0.00 39.64 39.20 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 -0.41 -0.48 0.71 7.28 0.15 -1.18 -4.85 113.70 114.91 3aet s SER 374 Ca 0.00 0.53 -0.16 0.00 0.70 0.00 0.00 55.95 57.01 3aet s SER 374 Cb 0.00 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 3aet s SER 374 CO 0.00 -0.44 1.00 0.00 1.20 0.00 0.00 173.24 175.00 3aet n ALA 375 N 0.81 -0.10 -1.79 5.45 0.00 -1.26 -4.39 120.51 119.23 3aet n ALA 375 Ca -0.13 -0.17 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 3aet n ALA 375 Cb 0.58 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.85 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 -3.33 3.94 -0.02 0.00 0.04 -1.26 -4.36 135.00 130.01 3aet s PRO 376 Ca 0.74 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 3aet s PRO 376 Cb -0.35 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 31.94 3aet s PRO 376 CO 0.49 -0.32 0.27 0.54 0.04 0.00 0.00 177.00 178.02 3aet s VAL 377 N -1.85 0.06 0.80 -0.36 0.11 -1.26 -2.68 120.40 115.22 3aet s VAL 377 Ca 0.64 -0.48 -0.05 0.00 -2.93 0.00 0.00 61.98 59.16 3aet s VAL 377 Cb -0.19 -0.56 0.17 0.00 -1.53 0.00 0.00 36.38 34.27 3aet s VAL 377 CO 0.23 -0.26 1.10 0.00 -3.33 0.00 0.00 175.10 172.84 3aet n HIS 378 N 1.46 -3.25 -0.35 1.54 1.44 -1.26 -4.93 115.22 109.86 3aet n HIS 378 Ca -0.21 -1.60 0.25 0.00 -2.01 0.00 0.00 57.72 54.15 3aet n HIS 378 Cb 0.56 -0.82 0.50 0.00 0.12 0.00 0.00 29.99 30.35 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 -0.95 0.35 -1.00 0.61 3.04 -1.91 -0.71 116.25 115.68 3aet h VAL 379 Ca -0.36 -0.11 0.40 0.00 -1.01 0.00 0.00 66.70 65.62 3aet h VAL 379 Cb 1.21 -0.01 -0.16 0.00 -2.01 0.00 0.00 31.29 30.32 3aet h VAL 379 CO 0.34 0.06 0.57 1.67 -1.01 0.00 0.00 177.57 179.20 3aet n GLN 380 N -4.87 -0.05 -0.55 4.17 -0.06 -1.26 -1.27 117.38 113.49 3aet n GLN 380 Ca 0.31 1.26 0.09 0.00 -2.00 0.00 0.00 57.00 56.66 3aet n GLN 380 Cb 1.01 -2.31 0.32 0.00 -4.06 0.00 0.00 30.24 25.20 3aet n GLN 380 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3aet n ASP 381 N -5.00 4.47 -3.80 1.69 9.92 -0.27 -4.17 116.55 119.38 3aet n ASP 381 Ca 0.36 -2.47 -0.31 0.00 -0.53 0.00 0.00 54.79 51.84 3aet n ASP 381 Cb 1.25 -0.53 -0.08 0.00 -0.64 0.00 0.00 41.12 41.12 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 0.86 3.56 -1.64 1.24 3.01 -0.39 -4.58 117.46 119.51 3aet n PHE 382 Ca 0.24 -4.05 -0.31 0.00 1.01 0.00 0.00 57.45 54.34 3aet n PHE 382 Cb 0.84 -0.80 0.05 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.93 2.86 0.13 -1.08 0.04 -1.26 -4.98 135.00 128.78 3aet s PRO 383 Ca 0.31 0.81 0.01 0.00 0.04 0.00 0.00 61.00 62.18 3aet s PRO 383 Cb 0.03 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 3aet s PRO 383 CO -0.08 -1.12 1.29 0.00 0.04 0.00 0.00 177.00 177.14 3aet h ALA 384 N -0.73 0.36 -2.34 8.56 0.00 -1.95 -3.47 119.26 119.71 3aet h ALA 384 Ca -0.45 -0.81 -0.51 0.00 0.00 0.00 0.00 54.91 53.15 3aet h ALA 384 Cb 1.22 -0.07 0.11 0.00 0.00 0.00 0.00 17.79 19.05 3aet h ALA 384 CO 0.59 1.00 0.35 -0.98 0.00 0.00 0.00 179.25 180.21 3aet s ARG 385 N -2.95 2.62 -0.01 0.00 1.70 -1.26 -4.96 118.95 114.08 3aet s ARG 385 Ca -0.02 0.96 -0.30 0.00 -0.47 0.00 0.00 55.73 55.90 3aet s ARG 385 Cb 0.09 -1.95 -0.05 0.00 -0.57 0.00 0.00 34.95 32.47 3aet s ARG 385 CO 0.84 -1.33 1.29 -0.47 -1.08 0.00 0.00 175.30 174.55 3aet s TYR 386 N -3.02 3.09 -0.44 5.89 6.14 -1.26 -4.96 117.35 122.78 3aet s TYR 386 Ca 0.59 1.06 0.07 0.00 0.64 0.00 0.00 57.07 59.43 3aet s TYR 386 Cb -0.15 -3.53 0.28 0.00 0.42 0.00 0.00 41.96 38.98 3aet s TYR 386 CO 0.55 -1.80 0.84 0.00 0.64 0.00 0.00 175.55 175.78 3aet n ALA 387 N 5.07 0.07 -1.48 3.97 0.00 -1.26 -5.12 120.51 121.76 3aet n ALA 387 Ca 0.12 -2.14 -0.30 0.00 0.00 0.00 0.00 53.44 51.12 3aet n ALA 387 Cb 0.45 -1.12 0.20 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.26 -0.01 -0.11 0.00 0.04 -1.26 -4.88 135.00 128.53 3aet s PRO 388 Ca 0.31 -0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.28 3aet s PRO 388 Cb 0.25 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.97 3aet s PRO 388 CO -0.15 -2.90 -0.07 1.04 0.04 0.00 0.00 177.00 174.96 3aet n GLN 389 N -4.18 0.74 -1.62 4.56 1.13 -1.26 -4.51 117.38 112.24 3aet n GLN 389 Ca 0.12 0.05 -0.30 0.00 -1.94 0.00 0.00 57.00 54.93 3aet n GLN 389 Cb 0.59 -1.22 0.06 0.00 0.11 0.00 0.00 30.24 29.79 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 -2.22 2.59 2.39 -1.09 -1.94 -1.26 -3.80 119.30 113.97 3aet s MET 390 Ca -0.13 0.74 0.00 0.00 -1.71 0.00 0.00 55.69 54.59 3aet s MET 390 Cb 0.04 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.91 3aet s MET 390 CO 0.27 -1.29 0.00 0.41 -0.01 0.00 0.00 175.02 174.41 3aet n GLY 391 N -2.22 -0.31 0.16 -0.03 0.00 -0.85 -2.55 105.19 99.39 3aet n GLY 391 Ca 0.07 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.28 -0.38 1.61 0.04 -1.91 -1.16 116.94 114.86 3aet h PHE 392 Ca 0.00 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3aet h PHE 392 Cb 0.00 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 3aet h PHE 392 CO 0.00 0.07 0.25 1.49 -0.60 0.00 0.00 178.31 179.52 3aet h GLU 393 N -0.94 0.45 -0.80 1.51 4.57 -1.91 0.26 114.58 117.70 3aet h GLU 393 Ca -0.03 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3aet h GLU 393 Cb 0.48 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 3aet h GLU 393 CO 0.05 0.30 0.53 0.78 -1.18 0.00 0.00 179.01 179.49 3aet h GLY 394 N 0.46 1.13 1.52 1.92 0.00 -1.48 -0.28 103.07 106.34 3aet h GLY 394 Ca 0.15 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 3aet h GLY 394 CO -0.03 0.39 -0.33 0.00 0.00 0.00 0.00 176.54 176.57 3aet h ALA 395 N 1.51 0.95 0.04 3.60 0.00 0.78 -1.30 119.26 124.85 3aet h ALA 395 Ca 0.30 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3aet h ALA 395 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3aet h ALA 395 CO -0.07 0.61 -0.02 -0.91 0.00 0.00 0.00 179.25 178.86 3aet h ASN 396 N 0.46 -0.05 0.09 0.00 2.35 -0.47 -2.49 115.58 115.47 3aet h ASN 396 Ca 0.05 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3aet h ASN 396 Cb 0.79 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 3aet h ASN 396 CO 0.06 -0.00 -0.22 0.58 -1.65 0.00 0.00 177.43 176.20 3aet h VAL 397 N -0.09 0.51 -0.94 2.81 2.07 -0.74 -1.89 116.25 117.98 3aet h VAL 397 Ca -0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.67 3aet h VAL 397 Cb 0.07 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 3aet h VAL 397 CO 0.01 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.08 3aet h LEU 398 N -0.40 0.72 -0.16 2.57 3.38 -1.28 0.15 115.31 120.30 3aet h LEU 398 Ca 0.03 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3aet h LEU 398 Cb 0.43 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3aet h LEU 398 CO -0.14 0.31 -0.05 0.15 0.09 0.00 0.00 178.44 178.80 3aet h PHE 399 N 0.76 0.36 -0.18 1.13 3.57 -0.88 -2.34 116.94 119.36 3aet h PHE 399 Ca 0.51 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.95 3aet h PHE 399 Cb 0.70 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3aet h PHE 399 CO -0.04 0.61 0.03 -0.44 -2.23 0.00 0.00 178.31 176.24 3aet h ASP 400 N 0.00 0.01 -0.53 0.41 3.32 -0.84 -1.96 116.42 116.83 3aet h ASP 400 Ca 0.04 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.19 3aet h ASP 400 Cb 0.50 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 3aet h ASP 400 CO 0.02 0.03 0.18 0.74 -1.72 0.00 0.00 179.24 178.49 3aet h THR 401 N 0.11 0.79 0.17 0.35 2.02 -0.68 -2.51 112.91 113.16 3aet h THR 401 Ca 0.08 -0.12 -0.30 0.00 0.77 0.00 0.00 66.41 66.84 3aet h THR 401 Cb 0.07 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3aet h THR 401 CO -0.11 0.06 -1.36 -0.50 0.37 0.00 0.00 175.52 173.98 3aet h TRP 402 N 0.35 0.65 -0.28 3.16 4.06 -1.36 -3.34 115.95 119.20 3aet h TRP 402 Ca 0.26 -0.47 -0.19 0.00 2.06 0.00 0.00 58.89 60.55 3aet h TRP 402 Cb 0.31 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 3aet h TRP 402 CO -0.18 1.39 -0.57 0.28 -3.56 0.00 0.00 178.44 175.81 3aet h VAL 403 N 0.10 1.27 -0.47 1.49 2.07 -1.37 -3.35 116.25 115.99 3aet h VAL 403 Ca -0.19 -1.75 0.08 0.00 0.82 0.00 0.00 66.70 65.66 3aet h VAL 403 Cb 2.04 1.66 -0.10 0.00 -1.52 0.00 0.00 31.29 33.38 3aet h VAL 403 CO 0.22 0.57 -0.40 -0.74 0.02 0.00 0.00 177.57 177.24 3aet h HIS 404 N 0.66 -1.17 -0.31 1.57 6.17 -1.57 -0.98 115.15 119.53 3aet h HIS 404 Ca 0.01 0.07 0.07 0.00 0.71 0.00 0.00 60.37 61.23 3aet h HIS 404 Cb 1.18 0.58 -0.01 0.00 2.52 0.00 0.00 27.41 31.68 3aet h HIS 404 CO 0.08 -0.42 0.22 -1.35 0.71 0.00 0.00 177.93 177.16 3aet h PRO 405 N -0.27 0.11 -0.03 5.26 0.11 -1.73 -0.27 132.00 135.17 3aet h PRO 405 Ca 0.16 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 3aet h PRO 405 Cb 0.57 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3aet h PRO 405 CO -0.61 0.07 -0.20 -0.07 -0.21 0.00 0.00 178.00 176.98 3aet h LEU 406 N 0.11 0.24 -0.36 2.35 3.38 -1.52 -1.66 115.31 117.84 3aet h LEU 406 Ca 0.14 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.48 3aet h LEU 406 Cb 0.43 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3aet h LEU 406 CO -0.02 0.87 0.14 0.58 0.09 0.00 0.00 178.44 180.10 3aet h VAL 407 N -0.38 0.91 -0.91 1.22 2.07 -0.48 -0.81 116.25 117.85 3aet h VAL 407 Ca -0.02 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.46 3aet h VAL 407 Cb 0.87 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3aet h VAL 407 CO 0.04 0.05 0.58 0.24 0.02 0.00 0.00 177.57 178.50 3aet h MET 408 N 0.29 1.04 -0.34 1.57 2.86 -1.13 -0.40 114.93 118.83 3aet h MET 408 Ca 0.16 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3aet h MET 408 Cb 0.13 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 3aet h MET 408 CO -0.16 0.69 0.17 0.78 1.06 0.00 0.00 176.91 179.45 3aet h GLY 409 N 1.07 0.46 0.95 8.32 0.00 -0.57 0.23 103.07 113.53 3aet h GLY 409 Ca 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 3aet h GLY 409 CO -0.16 0.09 0.05 -2.00 0.00 0.00 0.00 176.54 174.53 3aet h LEU 410 N 0.35 0.11 -1.77 3.11 5.85 -0.60 -0.28 115.31 122.09 3aet h LEU 410 Ca 0.14 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3aet h LEU 410 Cb 0.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3aet h LEU 410 CO -0.10 0.13 0.07 -0.33 -0.34 0.00 0.00 178.44 177.88 3aet h GLU 411 N 0.08 0.22 -0.19 1.25 5.08 -0.73 0.62 114.58 120.91 3aet h GLU 411 Ca 0.03 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3aet h GLU 411 Cb 0.04 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3aet h GLU 411 CO -0.01 0.18 -0.18 0.93 -1.00 0.00 0.00 179.01 178.94 3aet h GLU 412 N 0.22 0.46 0.82 2.33 4.39 -0.11 -2.12 114.58 120.58 3aet h GLU 412 Ca 0.06 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 3aet h GLU 412 Cb 0.04 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3aet h GLU 412 CO -0.01 0.80 -0.39 1.25 -1.16 0.00 0.00 179.01 179.50 3aet h HIS 413 N 0.13 -1.02 -0.05 4.33 2.76 -0.38 -2.93 115.15 117.99 3aet h HIS 413 Ca 0.03 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.22 3aet h HIS 413 Cb 0.71 0.34 -0.06 0.00 1.55 0.00 0.00 27.41 29.95 3aet h HIS 413 CO 0.08 -0.63 -0.33 -0.07 -1.30 0.00 0.00 177.93 175.68 3aet h LEU 414 N -1.13 -0.99 -1.34 0.26 3.38 -1.00 0.58 115.31 115.06 3aet h LEU 414 Ca -0.11 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3aet h LEU 414 Cb 0.85 0.41 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 3aet h LEU 414 CO 0.18 -0.38 0.51 -0.07 0.09 0.00 0.00 178.44 178.78 3aet h LEU 415 N -0.45 0.68 0.14 1.67 3.38 -1.40 0.17 115.31 119.49 3aet h LEU 415 Ca 0.07 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.82 3aet h LEU 415 Cb 0.56 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.21 3aet h LEU 415 CO -0.30 0.41 -0.99 0.71 0.09 0.00 0.00 178.44 178.36 3aet h THR 416 N 0.76 1.41 -0.51 0.22 1.35 -1.31 -2.04 112.91 112.79 3aet h THR 416 Ca 0.36 -2.48 0.10 0.00 -0.55 0.00 0.00 66.41 63.84 3aet h THR 416 Cb 0.39 2.98 -0.10 0.00 -1.73 0.00 0.00 68.15 69.69 3aet h THR 416 CO -0.13 0.72 -0.20 -0.03 -0.25 0.00 0.00 175.52 175.63 3aet h MET 417 N -0.11 -0.08 -0.05 4.72 1.85 -0.15 -1.20 114.93 119.92 3aet h MET 417 Ca -0.16 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 3aet h MET 417 Cb 1.75 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.79 3aet h MET 417 CO 0.19 -0.05 0.00 1.97 -0.40 0.00 0.00 176.91 178.62 3aet n PHE 418 N -5.41 0.06 -0.05 1.39 1.16 0.53 -3.69 117.46 111.46 3aet n PHE 418 Ca 0.04 -0.03 -0.13 0.00 -1.87 0.00 0.00 57.45 55.46 3aet n PHE 418 Cb 0.31 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.11 3aet n PHE 418 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3aet h ARG 419 N 0.97 0.33 0.00 3.97 2.47 -0.45 -3.50 114.38 118.17 3aet h ARG 419 Ca 0.00 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 3aet h ARG 419 Cb 0.21 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 3aet h ARG 419 CO 0.00 0.75 0.00 -0.85 0.56 0.00 0.00 179.97 180.43