#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aet s PHE 8 N 0.00 1.00 0.00 4.78 0.08 -1.26 -3.29 117.98 119.29 3aet s PHE 8 Ca 0.00 -1.97 0.00 0.00 0.12 0.00 0.00 56.93 55.08 3aet s PHE 8 Cb 0.00 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 3aet s PHE 8 CO 0.00 -0.82 0.00 0.41 -0.10 0.00 0.00 175.22 174.71 3aet n GLY 9 N 3.53 1.52 0.00 4.36 0.00 -0.39 -4.69 105.19 109.51 3aet n GLY 9 Ca 0.18 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3aet n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aet h THR 11 N 2.36 0.99 -0.62 0.00 1.35 -1.91 -1.96 112.91 113.12 3aet h THR 11 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3aet h THR 11 Cb 0.85 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3aet h THR 11 CO 0.00 0.04 0.00 0.47 -0.25 0.00 0.00 175.52 175.78 3aet n ASP 12 N -4.50 3.82 -4.76 5.36 8.00 -1.26 -4.96 116.55 118.25 3aet n ASP 12 Ca 0.02 -2.00 -0.41 0.00 0.71 0.00 0.00 54.79 53.11 3aet n ASP 12 Cb 0.17 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 3aet n ASP 12 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3aet s SER 13 N -1.17 6.64 -0.16 -2.24 0.01 -0.74 -4.96 113.70 111.09 3aet s SER 13 Ca 0.46 2.76 -0.29 0.00 1.31 0.00 0.00 55.95 60.18 3aet s SER 13 Cb 0.25 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 3aet s SER 13 CO 0.33 -0.66 1.06 -2.16 0.41 0.00 0.00 173.24 172.22 3aet s PRO 14 N -1.36 4.33 -0.16 12.44 0.04 -1.26 -5.00 135.00 144.03 3aet s PRO 14 Ca 0.53 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.72 3aet s PRO 14 Cb -0.42 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 3aet s PRO 14 CO 0.52 -0.49 0.96 0.54 0.04 0.00 0.00 177.00 178.56 3aet s VAL 15 N 2.64 4.79 -0.61 -0.36 0.11 -1.26 -4.52 120.40 121.19 3aet s VAL 15 Ca 0.48 1.90 -0.26 0.00 -2.93 0.00 0.00 61.98 61.17 3aet s VAL 15 Cb -0.18 -4.25 -0.07 0.00 -1.53 0.00 0.00 36.38 30.35 3aet s VAL 15 CO 0.13 -0.04 2.28 -0.60 -3.33 0.00 0.00 175.10 173.55 3aet s ARG 16 N 2.36 2.11 -0.49 1.54 3.52 0.31 -4.84 118.95 123.47 3aet s ARG 16 Ca 0.44 0.95 -0.28 0.00 -0.13 0.00 0.00 55.73 56.70 3aet s ARG 16 Cb -0.17 -4.63 0.01 0.00 -1.56 0.00 0.00 34.95 28.61 3aet s ARG 16 CO 0.13 -3.45 1.39 1.03 -0.81 0.00 0.00 175.30 173.59 3aet s ARG 17 N 8.10 3.45 -0.04 5.12 0.52 -1.26 -0.54 118.95 134.30 3aet s ARG 17 Ca 0.89 0.68 0.07 0.00 -0.52 0.00 0.00 55.73 56.84 3aet s ARG 17 Cb -0.15 -4.06 -0.01 0.00 0.52 0.00 0.00 34.95 31.25 3aet s ARG 17 CO 0.19 -1.74 -0.24 -2.00 0.02 0.00 0.00 175.30 171.54 3aet s GLU 18 N 5.18 2.19 0.48 3.54 2.12 0.48 -4.97 118.70 127.72 3aet s GLU 18 Ca 0.56 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 55.07 3aet s GLU 18 Cb -0.12 -1.97 -0.03 0.00 0.26 0.00 0.00 34.13 32.27 3aet s GLU 18 CO 0.29 0.43 0.01 0.50 -0.54 0.00 0.00 175.26 175.95 3aet s ARG 19 N -0.32 2.11 0.00 4.30 3.52 -1.26 -2.52 118.95 124.78 3aet s ARG 19 Ca 0.02 -2.31 0.00 0.00 -0.13 0.00 0.00 55.73 53.31 3aet s ARG 19 Cb -0.11 -1.50 0.00 0.00 -1.56 0.00 0.00 34.95 31.78 3aet s ARG 19 CO 0.01 -0.29 0.00 0.41 -0.81 0.00 0.00 175.30 174.63 3aet n GLY 20 N -1.16 0.72 3.74 8.12 0.00 -1.14 -3.60 105.19 111.87 3aet n GLY 20 Ca -0.15 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 3aet n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3aet s GLN 21 N -1.00 4.24 0.06 1.61 0.74 -1.26 -4.74 119.66 119.32 3aet s GLN 21 Ca 0.00 2.35 0.09 0.00 0.05 0.00 0.00 55.36 57.85 3aet s GLN 21 Cb 0.00 -3.10 -0.03 0.00 1.10 0.00 0.00 33.01 30.98 3aet s GLN 21 CO 0.00 -0.46 -0.24 0.15 -0.55 0.00 0.00 175.29 174.19 3aet s LYS 22 N -0.33 1.53 -0.65 1.67 1.02 -1.26 -0.36 119.74 121.35 3aet s LYS 22 Ca 0.60 -1.09 0.05 0.00 0.02 0.00 0.00 55.97 55.55 3aet s LYS 22 Cb -0.43 -1.74 0.19 0.00 -0.52 0.00 0.00 37.83 35.33 3aet s LYS 22 CO 0.44 0.44 0.54 0.00 -0.92 0.00 0.00 175.35 175.84 3aet n ALA 23 N 1.60 3.47 -2.34 5.17 0.00 -1.26 -5.01 120.51 122.14 3aet n ALA 23 Ca -0.17 -4.40 -0.17 0.00 0.00 0.00 0.00 53.44 48.69 3aet n ALA 23 Cb 0.53 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 3aet n ALA 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3aet s VAL 24 N -1.53 0.98 0.08 0.00 -7.23 -1.26 -4.92 120.40 106.51 3aet s VAL 24 Ca 0.29 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.29 3aet s VAL 24 Cb 0.02 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 3aet s VAL 24 CO -0.14 -0.26 0.49 -0.36 -0.31 0.00 0.00 175.10 174.52 3aet s PHE 25 N -3.46 3.68 0.98 2.82 0.08 -1.26 -4.98 117.98 115.84 3aet s PHE 25 Ca 0.30 1.05 -0.12 0.00 0.12 0.00 0.00 56.93 58.28 3aet s PHE 25 Cb 0.06 -2.34 0.18 0.00 -0.57 0.00 0.00 43.02 40.35 3aet s PHE 25 CO 0.10 0.54 1.09 0.00 -0.10 0.00 0.00 175.22 176.85 3aet h GLY 27 N -1.85 0.00 0.47 0.00 0.00 -1.33 -2.83 103.07 97.54 3aet h GLY 27 Ca -0.53 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.86 3aet h GLY 27 CO 0.56 0.00 0.09 1.41 0.00 0.00 0.00 176.54 178.59 3aet h LEU 28 N 0.00 0.02 -0.94 3.11 4.07 -1.73 -1.81 115.31 118.03 3aet h LEU 28 Ca 0.00 0.07 0.30 0.00 0.08 0.00 0.00 57.88 58.33 3aet h LEU 28 Cb 0.03 0.10 -0.17 0.00 1.08 0.00 0.00 40.66 41.69 3aet h LEU 28 CO 0.00 0.04 0.17 0.41 -1.08 0.00 0.00 178.44 177.98 3aet n THR 29 N -5.10 -0.39 -0.28 0.22 -1.04 -1.08 -1.02 114.28 105.58 3aet n THR 29 Ca 0.03 2.02 0.21 0.00 -2.04 0.00 0.00 64.05 64.27 3aet n THR 29 Cb 0.20 -3.04 0.51 0.00 -1.82 0.00 0.00 70.33 66.17 3aet n THR 29 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3aet h SER 30 N 0.00 0.43 -0.75 8.00 4.64 -1.48 -0.48 113.55 123.92 3aet h SER 30 Ca 0.64 0.06 0.22 0.00 -0.47 0.00 0.00 61.79 62.23 3aet h SER 30 Cb 1.46 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.50 3aet h SER 30 CO -0.83 0.14 0.55 0.40 -0.87 0.00 0.00 176.83 176.21 3aet h ILE 31 N 0.41 0.61 0.00 0.95 2.04 -1.23 -1.83 117.51 118.46 3aet h ILE 31 Ca 0.53 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.37 3aet h ILE 31 Cb 1.32 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3aet h ILE 31 CO -0.23 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 178.43 3aet h VAL 32 N 0.00 0.23 0.00 1.67 2.07 -1.24 -0.35 116.25 118.64 3aet h VAL 32 Ca 0.36 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3aet h VAL 32 Cb 1.45 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3aet h VAL 32 CO -0.00 0.07 -1.07 -2.67 0.02 0.00 0.00 177.57 173.92 3aet n TRP 33 N -3.26 0.00 -0.06 1.57 2.14 -0.81 -4.49 117.44 112.53 3aet n TRP 33 Ca -0.00 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.43 3aet n TRP 33 Cb 0.29 -0.04 -0.07 0.00 -0.81 0.00 0.00 31.31 30.69 3aet n TRP 33 CO 0.00 0.00 0.00 -0.07 2.07 0.00 0.00 177.69 179.69 3aet h LEU 34 N 0.00 0.45 -1.25 5.67 3.38 -0.95 -3.24 115.31 119.37 3aet h LEU 34 Ca -0.00 -0.50 0.22 0.00 0.09 0.00 0.00 57.88 57.69 3aet h LEU 34 Cb 0.17 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 3aet h LEU 34 CO 0.00 0.86 0.63 1.12 0.09 0.00 0.00 178.44 181.13 3aet h HIS 35 N 0.05 0.80 -0.19 1.13 2.07 -1.30 0.31 115.15 118.03 3aet h HIS 35 Ca 0.02 0.03 0.02 0.00 -2.85 0.00 0.00 60.37 57.59 3aet h HIS 35 Cb 0.74 -0.24 -0.02 0.00 2.57 0.00 0.00 27.41 30.46 3aet h HIS 35 CO 0.09 0.15 0.04 0.00 -3.07 0.00 0.00 177.93 175.14 3aet h ARG 36 N 0.55 0.12 -0.25 5.12 3.08 -1.81 -3.08 114.38 118.10 3aet h ARG 36 Ca 0.56 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.56 3aet h ARG 36 Cb 1.18 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3aet h ARG 36 CO -0.31 0.08 -0.02 -0.22 -1.07 0.00 0.00 179.97 178.43 3aet h LYS 37 N 0.12 0.46 -5.62 0.04 1.63 -1.06 -3.34 116.57 108.79 3aet h LYS 37 Ca 0.08 -0.16 -0.65 0.00 -0.85 0.00 0.00 60.65 59.08 3aet h LYS 37 Cb 0.07 -0.04 -0.13 0.00 -0.60 0.00 0.00 32.23 31.54 3aet h LYS 37 CO -0.11 0.65 1.41 -1.64 -3.45 0.00 0.00 179.45 176.31 3aet s MET 38 N -4.90 3.71 0.54 1.90 -1.94 -1.09 -4.33 119.30 113.20 3aet s MET 38 Ca -0.14 -1.59 0.23 0.00 -1.71 0.00 0.00 55.69 52.48 3aet s MET 38 Cb 0.07 -5.23 1.43 0.00 2.01 0.00 0.00 34.83 33.11 3aet s MET 38 CO 0.75 -2.05 2.09 1.96 -0.01 0.00 0.00 175.02 177.76 3aet h GLN 39 N 8.90 0.00 -0.01 2.03 4.20 -1.40 -2.90 115.11 125.94 3aet h GLN 39 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3aet h GLN 39 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 3aet h GLN 39 CO 1.32 0.00 -0.25 -3.47 -0.67 0.00 0.00 178.83 175.76 3aet n ASP 40 N -4.29 0.86 -4.62 1.46 -0.08 -1.26 -4.96 116.55 103.66 3aet n ASP 40 Ca 0.03 -0.75 -0.29 0.00 -1.51 0.00 0.00 54.79 52.27 3aet n ASP 40 Cb 0.33 0.10 -0.09 0.00 2.34 0.00 0.00 41.12 43.80 3aet n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3aet s ALA 41 N -2.56 3.08 -0.09 -1.67 0.00 -1.10 0.22 121.76 119.64 3aet s ALA 41 Ca 0.23 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3aet s ALA 41 Cb 0.19 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.37 3aet s ALA 41 CO 0.53 0.59 -0.18 0.12 0.00 0.00 0.00 175.76 176.82 3aet s PHE 42 N -1.44 2.08 -0.46 0.00 2.19 -0.52 -4.85 117.98 114.99 3aet s PHE 42 Ca 0.24 -0.87 -0.14 0.00 0.33 0.00 0.00 56.93 56.48 3aet s PHE 42 Cb -0.10 -1.45 0.07 0.00 -1.31 0.00 0.00 43.02 40.23 3aet s PHE 42 CO 0.16 -0.40 0.37 -0.06 1.83 0.00 0.00 175.22 177.13 3aet s PHE 43 N 0.61 3.26 -0.60 10.12 0.40 -1.07 -0.64 117.98 130.06 3aet s PHE 43 Ca -0.14 -1.02 -0.13 0.00 -0.60 0.00 0.00 56.93 55.04 3aet s PHE 43 Cb -0.16 -3.13 0.15 0.00 0.51 0.00 0.00 43.02 40.39 3aet s PHE 43 CO 0.04 -0.80 0.53 -1.17 0.70 0.00 0.00 175.22 174.52 3aet s LEU 44 N 1.61 6.16 0.19 -0.37 2.96 -0.07 -1.85 118.68 127.32 3aet s LEU 44 Ca 0.04 -2.09 -0.30 0.00 -0.22 0.00 0.00 54.13 51.55 3aet s LEU 44 Cb -0.24 -2.14 -0.08 0.00 0.50 0.00 0.00 46.19 44.22 3aet s LEU 44 CO 0.06 -0.73 1.28 -0.69 -1.32 0.00 0.00 176.35 174.95 3aet s VAL 45 N 1.11 3.34 -0.49 1.68 1.01 0.68 -2.07 120.40 125.66 3aet s VAL 45 Ca 0.08 1.10 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 3aet s VAL 45 Cb -0.24 -3.70 0.11 0.00 0.00 0.00 0.00 36.38 32.55 3aet s VAL 45 CO -0.01 0.16 0.39 -0.69 0.00 0.00 0.00 175.10 174.95 3aet s VAL 46 N 0.11 4.59 0.00 2.92 1.01 -0.04 -0.10 120.40 128.88 3aet s VAL 46 Ca 0.56 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.93 3aet s VAL 46 Cb -0.35 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3aet s VAL 46 CO 0.37 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 175.32 3aet n GLY 47 N 5.03 3.59 4.00 4.51 0.00 -1.18 -3.37 105.19 117.77 3aet n GLY 47 Ca -0.10 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 3aet n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3aet s SER 48 N 1.84 5.05 0.60 1.61 1.04 -1.26 0.78 113.70 123.37 3aet s SER 48 Ca 0.00 -0.89 0.35 0.00 0.48 0.00 0.00 55.95 55.89 3aet s SER 48 Cb 0.00 0.21 1.95 0.00 0.10 0.00 0.00 66.02 68.28 3aet s SER 48 CO 0.00 -1.22 2.25 -0.09 0.98 0.00 0.00 173.24 175.17 3aet h ARG 49 N 0.37 0.00 -0.07 4.02 2.43 -1.92 -1.31 114.38 117.89 3aet h ARG 49 Ca -0.32 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3aet h ARG 49 Cb 1.29 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3aet h ARG 49 CO 0.45 0.02 0.04 1.15 -1.51 0.00 0.00 179.97 180.12 3aet h THR 50 N 0.00 1.08 -0.29 0.20 2.02 -1.99 -1.24 112.91 112.70 3aet h THR 50 Ca -0.00 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.01 3aet h THR 50 Cb 0.08 1.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 3aet h THR 50 CO 0.00 0.07 -0.18 0.00 0.37 0.00 0.00 175.52 175.78 3aet h ALA 52 N 1.02 0.43 -0.38 0.00 0.00 -1.37 -2.03 119.26 116.92 3aet h ALA 52 Ca 0.15 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3aet h ALA 52 Cb 0.39 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3aet h ALA 52 CO -0.38 -0.33 -0.12 1.25 0.00 0.00 0.00 179.25 179.67 3aet h HIS 53 N 0.20 0.74 0.79 0.00 2.76 -0.72 -1.05 115.15 117.88 3aet h HIS 53 Ca 0.19 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3aet h HIS 53 Cb 0.23 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.00 3aet h HIS 53 CO -0.20 0.76 -0.43 1.25 -1.30 0.00 0.00 177.93 178.01 3aet h LEU 54 N 0.62 -1.05 -0.70 0.26 6.46 -0.57 -1.04 115.31 119.28 3aet h LEU 54 Ca 0.11 0.05 0.15 0.00 -0.12 0.00 0.00 57.88 58.07 3aet h LEU 54 Cb 0.56 0.29 -0.11 0.00 -0.73 0.00 0.00 40.66 40.68 3aet h LEU 54 CO 0.04 -0.69 0.15 -0.07 -0.62 0.00 0.00 178.44 177.24 3aet h LEU 55 N -1.13 -0.01 0.16 2.25 3.38 -1.20 0.21 115.31 118.97 3aet h LEU 55 Ca -0.10 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3aet h LEU 55 Cb 0.89 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3aet h LEU 55 CO 0.14 -0.04 -0.29 -0.61 0.09 0.00 0.00 178.44 177.74 3aet h GLN 56 N 0.26 -0.47 -0.74 1.13 4.15 -1.04 0.14 115.11 118.54 3aet h GLN 56 Ca 0.39 0.03 0.16 0.00 0.77 0.00 0.00 58.65 60.01 3aet h GLN 56 Cb 0.65 0.11 -0.13 0.00 0.21 0.00 0.00 27.48 28.32 3aet h GLN 56 CO -0.49 -0.31 -0.01 0.00 -1.93 0.00 0.00 178.83 176.09 3aet h ALA 57 N -1.12 0.74 0.00 3.38 0.00 -0.41 -1.21 119.26 120.65 3aet h ALA 57 Ca -0.02 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3aet h ALA 57 Cb 0.45 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3aet h ALA 57 CO -0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 179.25 178.66 3aet h ALA 58 N 1.69 0.99 -0.02 0.00 0.00 -0.18 -3.06 119.26 118.69 3aet h ALA 58 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3aet h ALA 58 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3aet h ALA 58 CO -0.65 0.07 -0.17 0.00 0.00 0.00 0.00 179.25 178.50 3aet n ALA 59 N -2.12 2.89 0.00 0.00 0.00 0.45 -5.00 120.51 116.72 3aet n ALA 59 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3aet n ALA 59 Cb 0.39 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3aet n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3aet n GLY 60 N 1.33 1.86 0.22 0.00 0.00 -0.96 0.29 105.19 107.93 3aet n GLY 60 Ca 0.13 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.50 3aet n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3aet h VAL 61 N 0.00 1.01 -0.41 1.61 2.07 -1.93 -3.14 116.25 115.45 3aet h VAL 61 Ca 0.00 -0.78 0.12 0.00 0.82 0.00 0.00 66.70 66.86 3aet h VAL 61 Cb 0.00 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3aet h VAL 61 CO 0.00 0.21 0.34 -0.03 0.02 0.00 0.00 177.57 178.11 3aet h MET 62 N 0.00 0.00 -0.85 1.57 1.85 -0.56 -1.56 114.93 115.38 3aet h MET 62 Ca -0.00 0.00 0.25 0.00 -0.61 0.00 0.00 59.70 59.33 3aet h MET 62 Cb 0.42 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.42 3aet h MET 62 CO 0.03 0.00 0.73 0.97 -0.40 0.00 0.00 176.91 178.24 3aet h ILE 63 N 0.00 0.35 -0.01 1.77 6.09 -1.62 0.14 117.51 124.24 3aet h ILE 63 Ca 0.20 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.69 3aet h ILE 63 Cb 0.87 0.45 0.00 0.00 0.47 0.00 0.00 36.82 38.61 3aet h ILE 63 CO -0.00 0.00 -0.20 0.49 -3.07 0.00 0.00 178.15 175.37 3aet n PHE 64 N -3.88 0.00 -1.27 2.19 3.72 -0.59 -4.17 117.46 113.46 3aet n PHE 64 Ca 0.18 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.30 3aet n PHE 64 Cb 1.03 -0.13 0.15 0.00 -0.94 0.00 0.00 39.48 39.58 3aet n PHE 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3aet n ALA 65 N -0.67 5.86 -4.15 4.37 0.00 0.49 -4.90 120.51 121.51 3aet n ALA 65 Ca 0.13 -3.10 -0.34 0.00 0.00 0.00 0.00 53.44 50.13 3aet n ALA 65 Cb 0.33 -1.56 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 3aet n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3aet n GLU 66 N -1.07 -1.29 -0.68 0.00 -0.58 -1.26 -4.88 120.64 110.88 3aet n GLU 66 Ca 0.61 0.17 -0.31 0.00 -0.42 0.00 0.00 57.16 57.21 3aet n GLU 66 Cb 1.32 -3.57 0.17 0.00 -0.57 0.00 0.00 31.44 28.80 3aet n GLU 66 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3aet s PRO 67 N -7.14 0.89 -0.98 3.49 0.04 -1.26 -4.90 135.00 125.13 3aet s PRO 67 Ca 0.14 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 3aet s PRO 67 Cb -0.07 -1.71 0.29 0.00 0.04 0.00 0.00 34.50 33.04 3aet s PRO 67 CO 0.96 -2.71 1.28 2.89 0.04 0.00 0.00 177.00 179.46 3aet n ARG 68 N -4.29 3.94 -3.95 4.56 1.85 -1.26 -4.90 116.66 112.61 3aet n ARG 68 Ca 0.11 -4.57 -0.09 0.00 -1.00 0.00 0.00 57.85 52.30 3aet n ARG 68 Cb 0.52 -2.46 -0.04 0.00 -1.05 0.00 0.00 32.46 29.44 3aet n ARG 68 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3aet s PHE 69 N -2.58 0.25 0.00 2.89 -0.71 -1.26 -2.58 117.98 114.00 3aet s PHE 69 Ca 0.33 -0.66 0.00 0.00 -1.04 0.00 0.00 56.93 55.56 3aet s PHE 69 Cb 0.05 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.23 3aet s PHE 69 CO 0.06 -1.13 0.00 0.41 -1.34 0.00 0.00 175.22 173.22 3aet n GLY 70 N -0.43 0.19 2.92 1.99 0.00 -0.77 -4.93 105.19 104.15 3aet n GLY 70 Ca -0.03 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 3aet n GLY 70 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3aet s THR 71 N -2.00 0.93 -0.92 2.61 -1.32 -1.26 -0.23 115.64 113.46 3aet s THR 71 Ca 0.00 -0.27 -0.24 0.00 -1.21 0.00 0.00 61.69 59.96 3aet s THR 71 Cb 0.00 -0.94 0.01 0.00 -1.51 0.00 0.00 72.50 70.06 3aet s THR 71 CO 0.00 0.34 1.62 0.00 -2.21 0.00 0.00 174.62 174.37 3aet s ALA 72 N 1.40 2.34 -0.33 11.08 0.00 0.86 -4.95 121.76 132.16 3aet s ALA 72 Ca -0.01 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 3aet s ALA 72 Cb -0.13 -4.49 0.01 0.00 0.00 0.00 0.00 23.12 18.50 3aet s ALA 72 CO -0.04 -3.98 1.28 0.14 0.00 0.00 0.00 175.76 173.15 3aet s VAL 73 N 7.03 4.15 -0.29 0.00 -7.23 -1.26 -3.12 120.40 119.69 3aet s VAL 73 Ca 0.54 1.28 -0.39 0.00 -1.81 0.00 0.00 61.98 61.60 3aet s VAL 73 Cb -0.04 -4.23 -0.15 0.00 0.56 0.00 0.00 36.38 32.52 3aet s VAL 73 CO -0.02 -0.56 1.82 0.18 -0.31 0.00 0.00 175.10 176.22 3aet n LEU 74 N 7.73 2.38 -4.98 1.32 4.32 0.23 -4.95 117.00 123.05 3aet n LEU 74 Ca 0.14 0.98 -0.20 0.00 -0.02 0.00 0.00 56.01 56.92 3aet n LEU 74 Cb 0.47 -1.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 3aet n LEU 74 CO 0.64 -0.44 0.15 -1.61 -1.22 0.00 0.00 177.39 174.91 3aet s GLU 75 N 4.00 3.02 0.44 3.23 2.02 -1.26 -4.74 118.70 125.42 3aet s GLU 75 Ca 1.00 -0.90 0.20 0.00 0.02 0.00 0.00 54.97 55.30 3aet s GLU 75 Cb -1.04 -2.72 1.17 0.00 0.10 0.00 0.00 34.13 31.64 3aet s GLU 75 CO 0.63 -0.12 1.87 1.49 0.02 0.00 0.00 175.26 179.15 3aet h GLU 76 N 0.67 0.31 -0.38 1.61 4.81 -2.02 0.18 114.58 119.76 3aet h GLU 76 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3aet h GLU 76 Cb 1.26 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3aet h GLU 76 CO 0.53 0.20 0.00 0.00 -0.73 0.00 0.00 179.01 179.01 3aet n GLN 77 N -4.46 1.80 -0.00 1.92 10.64 -1.26 -3.31 117.38 122.70 3aet n GLN 77 Ca 0.19 -1.04 0.10 0.00 -1.83 0.00 0.00 57.00 54.42 3aet n GLN 77 Cb 0.74 -1.32 -0.14 0.00 -0.86 0.00 0.00 30.24 28.65 3aet n GLN 77 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3aet n ASP 78 N 0.31 0.54 0.36 2.61 10.43 0.05 -4.58 116.55 126.27 3aet n ASP 78 Ca 0.10 -0.50 -0.15 0.00 2.57 0.00 0.00 54.79 56.81 3aet n ASP 78 Cb 0.30 1.49 -0.07 0.00 1.84 0.00 0.00 41.12 44.68 3aet n ASP 78 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3aet h LEU 79 N 0.00 -0.80 -9.98 0.64 3.38 -1.67 -3.43 115.31 103.45 3aet h LEU 79 Ca 0.00 0.03 -0.56 0.00 0.09 0.00 0.00 57.88 57.43 3aet h LEU 79 Cb 0.73 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 3aet h LEU 79 CO 0.00 -0.42 -0.29 0.00 0.09 0.00 0.00 178.44 177.82 3aet s ALA 80 N -4.93 3.77 -0.18 1.53 0.00 -1.26 -4.66 121.76 116.03 3aet s ALA 80 Ca -0.14 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 3aet s ALA 80 Cb 0.01 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 21.00 3aet s ALA 80 CO 0.41 0.58 0.01 0.41 0.00 0.00 0.00 175.76 177.18 3aet n GLY 81 N -0.15 -3.82 1.42 0.00 0.00 -1.26 -4.92 105.19 96.47 3aet n GLY 81 Ca -0.02 0.26 0.09 0.00 0.00 0.00 0.00 46.02 46.34 3aet n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3aet n LEU 82 N 0.49 4.51 0.01 0.99 4.32 -1.26 -3.78 117.00 122.28 3aet n LEU 82 Ca -0.02 -2.48 0.11 0.00 -0.02 0.00 0.00 56.01 53.59 3aet n LEU 82 Cb 0.03 -0.54 -0.13 0.00 -1.62 0.00 0.00 43.42 41.16 3aet n LEU 82 CO 0.27 0.78 -0.60 0.00 -1.22 0.00 0.00 177.39 176.63 3aet n ALA 83 N 0.86 2.73 -0.06 -1.18 0.00 -1.26 -3.90 120.51 117.70 3aet n ALA 83 Ca 0.24 -0.47 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 3aet n ALA 83 Cb 0.85 -0.82 0.06 0.00 0.00 0.00 0.00 19.45 19.55 3aet n ALA 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3aet h ASP 84 N 0.00 0.76 -0.85 0.00 3.32 -1.94 -3.29 116.42 114.42 3aet h ASP 84 Ca -0.01 -0.33 0.19 0.00 0.02 0.00 0.00 57.03 56.90 3aet h ASP 84 Cb 1.02 -0.21 -0.16 0.00 0.22 0.00 0.00 39.33 40.20 3aet h ASP 84 CO 0.00 1.04 -0.12 0.00 -1.72 0.00 0.00 179.24 178.44 3aet h ALA 85 N 1.00 0.71 -0.08 3.45 0.00 -1.73 1.07 119.26 123.68 3aet h ALA 85 Ca 0.06 0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 3aet h ALA 85 Cb 0.88 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3aet h ALA 85 CO 0.08 -0.43 -0.12 0.45 0.00 0.00 0.00 179.25 179.22 3aet h HIS 86 N 0.03 0.29 -0.49 0.00 3.86 -1.77 -1.76 115.15 115.30 3aet h HIS 86 Ca 0.44 -0.10 0.03 0.00 -1.16 0.00 0.00 60.37 59.59 3aet h HIS 86 Cb 0.74 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.12 3aet h HIS 86 CO -0.58 0.71 0.27 0.87 0.86 0.00 0.00 177.93 180.06 3aet h LYS 87 N -0.22 0.51 0.51 2.45 1.57 -1.32 0.10 116.57 120.17 3aet h LYS 87 Ca 0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3aet h LYS 87 Cb 0.68 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3aet h LYS 87 CO 0.03 0.34 -0.40 0.93 -0.57 0.00 0.00 179.45 179.78 3aet h GLU 88 N 0.53 -0.85 0.05 3.15 4.39 0.11 -2.82 114.58 119.14 3aet h GLU 88 Ca 0.21 0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.98 3aet h GLU 88 Cb 0.08 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3aet h GLU 88 CO -0.12 -0.57 -0.12 1.25 -1.16 0.00 0.00 179.01 178.29 3aet h LEU 89 N -0.89 -0.34 -0.88 1.33 5.85 -1.26 -1.16 115.31 117.96 3aet h LEU 89 Ca -0.05 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.90 3aet h LEU 89 Cb 0.76 0.13 -0.17 0.00 0.37 0.00 0.00 40.66 41.75 3aet h LEU 89 CO 0.00 -0.18 -0.17 0.44 -0.34 0.00 0.00 178.44 178.19 3aet h ASP 90 N -0.23 -0.73 1.08 1.25 3.45 -0.74 0.51 116.42 121.00 3aet h ASP 90 Ca 0.03 0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.75 3aet h ASP 90 Cb 0.26 0.52 0.00 0.00 -0.56 0.00 0.00 39.33 39.55 3aet h ASP 90 CO -0.08 -0.29 -0.75 0.03 -1.57 0.00 0.00 179.24 176.58 3aet h ARG 91 N 0.01 0.00 -0.03 3.56 3.08 -1.28 -2.02 114.38 117.70 3aet h ARG 91 Ca 0.44 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.31 3aet h ARG 91 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3aet h ARG 91 CO -0.88 0.00 -0.79 1.49 -1.07 0.00 0.00 179.97 178.72 3aet h GLU 92 N 0.00 0.26 0.09 0.04 4.57 0.36 -2.87 114.58 117.03 3aet h GLU 92 Ca 0.00 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3aet h GLU 92 Cb 0.91 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3aet h GLU 92 CO 0.00 0.92 -0.04 0.28 -1.18 0.00 0.00 179.01 178.99 3aet h VAL 93 N 0.16 1.13 -0.62 0.32 2.07 0.05 -2.57 116.25 116.80 3aet h VAL 93 Ca -0.03 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.67 3aet h VAL 93 Cb 1.37 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.78 3aet h VAL 93 CO 0.12 0.21 0.33 0.00 0.02 0.00 0.00 177.57 178.26 3aet h ALA 94 N 0.34 0.83 -0.90 1.67 0.00 -1.47 0.28 119.26 120.00 3aet h ALA 94 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3aet h ALA 94 Cb 0.44 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3aet h ALA 94 CO 0.02 -0.00 0.59 -0.22 0.00 0.00 0.00 179.25 179.63 3aet h LYS 95 N 0.62 0.99 -0.11 0.00 3.64 -1.54 0.19 116.57 120.35 3aet h LYS 95 Ca 0.28 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.42 3aet h LYS 95 Cb 0.19 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3aet h LYS 95 CO -0.18 0.65 -0.69 1.25 -2.27 0.00 0.00 179.45 178.20 3aet h LEU 96 N 1.02 0.57 0.00 5.20 5.85 -0.82 -2.68 115.31 124.45 3aet h LEU 96 Ca 0.39 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3aet h LEU 96 Cb 0.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3aet h LEU 96 CO -0.15 1.10 -0.05 0.18 -0.34 0.00 0.00 178.44 179.18 3aet n LEU 97 N -3.88 0.23 0.04 2.25 4.77 0.87 -1.20 117.00 120.08 3aet n LEU 97 Ca -0.04 0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 56.19 3aet n LEU 97 Cb 0.69 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 3aet n LEU 97 CO 0.48 -0.03 -0.62 -0.08 -1.33 0.00 0.00 177.39 175.81 3aet h GLU 98 N 0.00 0.33 0.00 3.23 4.81 -0.78 -3.33 114.58 118.84 3aet h GLU 98 Ca 0.00 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3aet h GLU 98 Cb 0.56 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3aet h GLU 98 CO 0.00 1.27 0.00 0.00 -0.73 0.00 0.00 179.01 179.55 3aet h ARG 99 N 0.02 0.00 -2.21 1.92 3.08 -1.08 -3.33 114.38 112.78 3aet h ARG 99 Ca -0.37 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.20 3aet h ARG 99 Cb 2.02 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 31.72 3aet h ARG 99 CO 0.12 0.00 -0.80 0.50 -1.07 0.00 0.00 179.97 178.72 3aet s ARG 100 N -3.28 0.69 0.47 0.04 3.52 -0.34 -5.02 118.95 115.03 3aet s ARG 100 Ca 0.06 -1.33 0.32 0.00 -0.13 0.00 0.00 55.73 54.65 3aet s ARG 100 Cb 0.10 -1.05 1.44 0.00 -1.56 0.00 0.00 34.95 33.88 3aet s ARG 100 CO 0.53 -1.26 1.95 -1.00 -0.81 0.00 0.00 175.30 174.72 3aet h PRO 101 N 6.58 0.00 0.00 5.12 0.13 -1.69 -3.19 132.00 138.96 3aet h PRO 101 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.15 3aet h PRO 101 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3aet h PRO 101 CO 0.25 0.00 -0.40 -0.44 -0.23 0.00 0.00 178.00 177.18 3aet h ASP 102 N 0.00 0.00 -2.04 1.44 5.19 -1.95 -3.44 116.42 115.62 3aet h ASP 102 Ca 0.00 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.79 3aet h ASP 102 Cb 0.33 0.00 0.05 0.00 0.18 0.00 0.00 39.33 39.90 3aet h ASP 102 CO 0.00 0.40 0.69 -0.38 -3.12 0.00 0.00 179.24 176.82 3aet n ILE 103 N -3.64 0.03 0.00 0.35 -0.00 -1.21 -4.91 119.36 109.99 3aet n ILE 103 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 3aet n ILE 103 Cb 0.50 -1.28 0.00 0.00 -0.00 0.00 0.00 39.64 38.85 3aet n ILE 103 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3aet n ARG 104 N 3.25 2.28 -3.90 0.38 1.74 0.13 -4.78 116.66 115.76 3aet n ARG 104 Ca 0.18 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.90 3aet n ARG 104 Cb 0.25 -0.99 -0.12 0.00 -1.02 0.00 0.00 32.46 30.58 3aet n ARG 104 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3aet s GLN 105 N -1.98 3.70 -0.19 5.56 -0.21 -1.20 -0.61 119.66 124.73 3aet s GLN 105 Ca 0.00 -0.47 -0.07 0.00 0.02 0.00 0.00 55.36 54.85 3aet s GLN 105 Cb 0.00 -3.23 -0.03 0.00 1.00 0.00 0.00 33.01 30.75 3aet s GLN 105 CO 0.00 -0.04 0.04 -1.17 -2.12 0.00 0.00 175.29 172.00 3aet s LEU 106 N 1.20 3.60 -0.26 2.90 2.96 -1.01 -1.43 118.68 126.65 3aet s LEU 106 Ca 0.04 -0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 3aet s LEU 106 Cb -0.14 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3aet s LEU 106 CO 0.03 0.12 0.05 -0.36 -1.32 0.00 0.00 176.35 174.87 3aet s PHE 107 N 0.68 3.08 -0.78 5.38 0.08 0.18 -1.13 117.98 125.47 3aet s PHE 107 Ca 0.02 -0.71 -0.25 0.00 0.12 0.00 0.00 56.93 56.11 3aet s PHE 107 Cb -0.13 -2.22 0.05 0.00 -0.57 0.00 0.00 43.02 40.15 3aet s PHE 107 CO 0.02 -0.47 1.22 -0.51 -0.10 0.00 0.00 175.22 175.38 3aet s LEU 108 N 1.55 3.64 -0.10 -0.37 1.43 -1.05 -0.89 118.68 122.89 3aet s LEU 108 Ca 0.05 -0.87 -0.24 0.00 -1.03 0.00 0.00 54.13 52.04 3aet s LEU 108 Cb -0.16 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 3aet s LEU 108 CO 0.02 -1.63 0.73 -0.69 0.23 0.00 0.00 176.35 175.01 3aet s VAL 109 N 4.99 5.00 0.14 -1.59 1.01 -0.88 -3.01 120.40 126.06 3aet s VAL 109 Ca 0.34 1.48 -0.09 0.00 0.00 0.00 0.00 61.98 63.71 3aet s VAL 109 Cb -0.08 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 3aet s VAL 109 CO 0.08 0.18 0.44 -0.83 0.00 0.00 0.00 175.10 174.96 3aet s GLY 110 N 0.94 2.31 0.49 4.51 0.00 -0.71 -0.86 107.32 113.99 3aet s GLY 110 Ca 0.37 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.75 3aet s GLY 110 CO 0.16 -0.22 0.17 -1.35 0.00 0.00 0.00 173.10 171.87 3aet s SER 111 N -2.09 4.35 0.09 1.64 1.04 -1.22 -1.18 113.70 116.32 3aet s SER 111 Ca 0.39 -1.36 -0.30 0.00 0.48 0.00 0.00 55.95 55.16 3aet s SER 111 Cb -0.13 0.17 -0.15 0.00 0.10 0.00 0.00 66.02 66.01 3aet s SER 111 CO 0.21 -0.82 1.64 0.00 0.98 0.00 0.00 173.24 175.24 3aet h PRO 113 N -0.67 -0.17 -0.40 0.00 0.11 -1.97 0.34 132.00 129.25 3aet h PRO 113 Ca -0.04 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.19 3aet h PRO 113 Cb 0.57 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 3aet h PRO 113 CO 0.03 -0.11 0.33 1.03 -0.21 0.00 0.00 178.00 179.06 3aet h SER 114 N -0.17 0.00 0.30 -2.05 0.87 -1.71 -2.05 113.55 108.74 3aet h SER 114 Ca 0.20 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.43 3aet h SER 114 Cb 0.49 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 3aet h SER 114 CO -0.54 0.00 -1.84 -0.33 -0.53 0.00 0.00 176.83 173.59 3aet h GLU 115 N 0.00 0.17 -0.83 2.24 5.08 -0.61 -1.09 114.58 119.54 3aet h GLU 115 Ca 0.19 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3aet h GLU 115 Cb 0.84 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 3aet h GLU 115 CO -0.00 0.94 0.49 0.28 -1.00 0.00 0.00 179.01 179.72 3aet h VAL 116 N 0.05 0.97 0.00 3.13 2.07 -0.31 0.49 116.25 122.65 3aet h VAL 116 Ca -0.35 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3aet h VAL 116 Cb 2.03 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3aet h VAL 116 CO 0.09 0.16 0.00 0.18 0.02 0.00 0.00 177.57 178.02 3aet n LEU 117 N -4.69 0.00 -3.46 2.57 4.77 -0.90 -4.83 117.00 110.46 3aet n LEU 117 Ca 0.13 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 3aet n LEU 117 Cb 0.23 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3aet n LEU 117 CO 0.29 0.00 -0.16 2.29 -1.33 0.00 0.00 177.39 178.48 3aet n LYS 118 N -0.54 -0.87 -2.11 3.23 0.00 0.17 -4.78 118.16 113.26 3aet n LYS 118 Ca 0.01 0.08 -0.42 0.00 -0.00 0.00 0.00 58.31 57.99 3aet n LYS 118 Cb 0.01 -2.69 -0.03 0.00 -0.00 0.00 0.00 35.03 32.32 3aet n LYS 118 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3aet s LEU 119 N -5.13 3.45 -0.82 -5.58 0.20 -0.41 -4.93 118.68 105.46 3aet s LEU 119 Ca 0.35 0.85 -0.25 0.00 0.69 0.00 0.00 54.13 55.77 3aet s LEU 119 Cb -0.21 -3.19 0.01 0.00 -0.43 0.00 0.00 46.19 42.37 3aet s LEU 119 CO 0.63 -1.85 1.57 -0.62 -0.29 0.00 0.00 176.35 175.78 3aet s ASP 120 N 6.14 5.88 0.25 3.68 -1.08 -1.26 -4.75 116.67 125.53 3aet s ASP 120 Ca 0.70 -0.60 0.22 0.00 -0.52 0.00 0.00 52.55 52.36 3aet s ASP 120 Cb -0.17 -2.56 0.98 0.00 -1.46 0.00 0.00 42.92 39.71 3aet s ASP 120 CO 0.29 -2.02 1.67 0.18 0.52 0.00 0.00 175.17 175.80 3aet n LEU 121 N 10.77 0.59 0.07 -1.34 7.99 -1.26 -3.58 117.00 130.24 3aet n LEU 121 Ca 0.21 0.67 -0.18 0.00 -0.01 0.00 0.00 56.01 56.71 3aet n LEU 121 Cb 0.50 -0.63 -0.09 0.00 -0.11 0.00 0.00 43.42 43.09 3aet n LEU 121 CO 0.68 -0.63 0.06 0.44 -1.51 0.00 0.00 177.39 176.42 3aet h ASP 122 N 0.00 0.72 -0.23 -1.43 3.32 -1.95 0.88 116.42 117.73 3aet h ASP 122 Ca 0.00 -0.62 -0.13 0.00 0.02 0.00 0.00 57.03 56.30 3aet h ASP 122 Cb 0.27 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3aet h ASP 122 CO 0.00 1.43 -0.35 -0.09 -1.72 0.00 0.00 179.24 178.51 3aet h ARG 123 N 0.27 0.64 -0.50 3.56 2.43 -1.99 -2.53 114.38 116.25 3aet h ARG 123 Ca -0.13 -0.39 0.09 0.00 -0.81 0.00 0.00 59.98 58.75 3aet h ARG 123 Cb 1.75 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 31.26 3aet h ARG 123 CO 0.20 1.00 0.06 0.00 -1.51 0.00 0.00 179.97 179.72 3aet h ALA 124 N 0.64 0.53 -0.75 2.80 0.00 -1.63 0.46 119.26 121.30 3aet h ALA 124 Ca 0.02 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3aet h ALA 124 Cb 0.94 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3aet h ALA 124 CO 0.08 -0.35 0.45 0.00 0.00 0.00 0.00 179.25 179.44 3aet h ALA 125 N 1.42 1.02 -0.11 0.00 0.00 -0.74 -1.71 119.26 119.13 3aet h ALA 125 Ca 0.25 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3aet h ALA 125 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3aet h ALA 125 CO -0.37 0.18 -0.36 1.49 0.00 0.00 0.00 179.25 180.19 3aet h GLU 126 N 0.84 0.43 0.04 0.00 4.81 -0.72 -2.84 114.58 117.14 3aet h GLU 126 Ca 0.33 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3aet h GLU 126 Cb 0.14 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3aet h GLU 126 CO -0.16 0.95 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.96 3aet h ARG 127 N 0.00 -0.06 -0.45 1.92 2.43 -0.03 -2.98 114.38 115.21 3aet h ARG 127 Ca -0.02 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3aet h ARG 127 Cb 0.99 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3aet h ARG 127 CO 0.08 0.02 0.30 -0.07 -1.51 0.00 0.00 179.97 178.79 3aet h LEU 128 N -0.12 0.37 -0.38 3.80 -0.00 -1.39 -1.18 115.31 116.42 3aet h LEU 128 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3aet h LEU 128 Cb 0.10 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 3aet h LEU 128 CO 0.01 0.25 0.24 -1.28 -0.00 0.00 0.00 178.44 177.66 3aet h SER 129 N 0.43 0.44 0.82 -0.43 0.87 -1.36 -1.66 113.55 112.66 3aet h SER 129 Ca 0.19 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3aet h SER 129 Cb 0.21 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3aet h SER 129 CO -0.05 0.34 -0.41 1.23 -0.53 0.00 0.00 176.83 177.42 3aet h GLY 130 N 0.50 -1.18 0.59 5.77 0.00 -1.12 -2.65 103.07 104.99 3aet h GLY 130 Ca 0.14 0.44 0.20 0.00 0.00 0.00 0.00 47.33 48.11 3aet h GLY 130 CO -0.03 -0.43 0.51 1.41 0.00 0.00 0.00 176.54 178.01 3aet h LEU 131 N -1.12 0.00 -3.11 3.11 4.07 -1.25 -2.30 115.31 114.71 3aet h LEU 131 Ca -0.11 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.79 3aet h LEU 131 Cb 0.86 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.57 3aet h LEU 131 CO 0.18 0.00 -0.34 1.41 -1.08 0.00 0.00 178.44 178.60 3aet n HIS 132 N -4.30 0.34 -2.59 1.13 8.25 -0.63 -5.05 115.22 112.36 3aet n HIS 132 Ca 0.14 -1.50 -0.27 0.00 -0.26 0.00 0.00 57.72 55.82 3aet n HIS 132 Cb 0.78 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.57 3aet n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3aet s ALA 133 N -3.22 3.39 -0.47 -1.41 0.00 -0.87 -2.11 121.76 117.07 3aet s ALA 133 Ca 0.40 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.89 3aet s ALA 133 Cb 0.38 -2.61 0.63 0.00 0.00 0.00 0.00 23.12 21.52 3aet s ALA 133 CO -0.04 -0.39 1.90 -0.35 0.00 0.00 0.00 175.76 176.87 3aet n PRO 134 N -2.30 2.28 -0.02 0.00 -0.04 -1.26 -4.83 135.00 128.83 3aet n PRO 134 Ca 0.01 -3.06 -0.16 0.00 -0.04 0.00 0.00 63.50 60.25 3aet n PRO 134 Cb 0.55 -2.17 -0.11 0.00 -0.04 0.00 0.00 33.50 31.73 3aet n PRO 134 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3aet h HIS 135 N 1.13 0.38 -3.31 0.54 2.76 -1.95 -3.45 115.15 111.26 3aet h HIS 135 Ca 0.61 -0.20 -0.61 0.00 -2.20 0.00 0.00 60.37 57.97 3aet h HIS 135 Cb 2.54 -0.05 -0.34 0.00 1.55 0.00 0.00 27.41 31.11 3aet h HIS 135 CO 1.54 1.00 -0.85 0.54 -1.30 0.00 0.00 177.93 178.86 3aet s VAL 136 N -3.21 1.65 -0.26 5.26 0.11 -0.90 -4.74 120.40 118.31 3aet s VAL 136 Ca -0.15 -0.75 -0.10 0.00 -2.93 0.00 0.00 61.98 58.05 3aet s VAL 136 Cb 0.02 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.35 3aet s VAL 136 CO 0.77 0.47 0.14 -0.60 -3.33 0.00 0.00 175.10 172.55 3aet s ARG 137 N 0.73 3.89 -0.19 1.54 6.06 0.23 -4.31 118.95 126.89 3aet s ARG 137 Ca -0.11 -0.36 -0.04 0.00 -2.50 0.00 0.00 55.73 52.71 3aet s ARG 137 Cb -0.16 -3.52 -0.02 0.00 0.06 0.00 0.00 34.95 31.31 3aet s ARG 137 CO 0.02 -0.12 -0.02 0.54 -2.50 0.00 0.00 175.30 173.22 3aet s VAL 138 N 1.53 3.78 0.14 7.11 0.11 -1.26 -2.39 120.40 129.42 3aet s VAL 138 Ca 0.07 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3aet s VAL 138 Cb -0.15 -2.70 0.02 0.00 -1.53 0.00 0.00 36.38 32.02 3aet s VAL 138 CO 0.07 0.44 0.17 -1.22 -3.33 0.00 0.00 175.10 171.23 3aet n TYR 139 N 4.19 -2.33 -3.64 1.54 4.01 -0.29 -4.50 117.16 116.14 3aet n TYR 139 Ca -0.17 -0.54 -0.09 0.00 -0.16 0.00 0.00 57.90 56.93 3aet n TYR 139 Cb 0.52 -0.13 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 3aet n TYR 139 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3aet s SER 140 N -1.86 -0.54 0.29 7.72 0.15 -1.26 -2.52 113.70 115.68 3aet s SER 140 Ca 0.13 1.01 -0.09 0.00 0.70 0.00 0.00 55.95 57.69 3aet s SER 140 Cb -0.01 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 3aet s SER 140 CO 0.08 -0.17 0.49 -0.72 1.20 0.00 0.00 173.24 174.12 3aet s TYR 141 N 0.41 0.58 -0.08 3.44 -0.85 -1.16 -4.86 117.35 114.83 3aet s TYR 141 Ca 0.01 -0.93 -0.07 0.00 -0.52 0.00 0.00 57.07 55.56 3aet s TYR 141 Cb -0.05 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 3aet s TYR 141 CO -0.06 -1.08 0.19 -0.08 -1.52 0.00 0.00 175.55 173.00 3aet s THR 142 N -3.58 5.43 -0.01 -3.49 -1.32 -1.26 -1.74 115.64 109.67 3aet s THR 142 Ca 0.25 0.24 0.01 0.00 -1.21 0.00 0.00 61.69 60.97 3aet s THR 142 Cb -0.01 -3.47 0.01 0.00 -1.51 0.00 0.00 72.50 67.53 3aet s THR 142 CO 0.13 0.56 0.73 0.61 -2.21 0.00 0.00 174.62 174.43 3aet n GLY 143 N 1.76 -0.49 3.71 6.08 0.00 -0.33 -4.72 105.19 111.20 3aet n GLY 143 Ca -0.17 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3aet n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3aet n SER 144 N -0.22 3.67 -0.57 1.61 3.41 -0.68 -2.15 113.62 118.70 3aet n SER 144 Ca 0.01 1.09 0.46 0.00 -0.26 0.00 0.00 58.87 60.17 3aet n SER 144 Cb 0.45 -1.54 0.76 0.00 -0.26 0.00 0.00 64.21 63.62 3aet n SER 144 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3aet h GLY 145 N 5.92 0.52 1.75 5.00 0.00 -1.91 0.25 103.07 114.60 3aet h GLY 145 Ca -0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3aet h GLY 145 CO 0.89 -0.17 -0.02 1.41 0.00 0.00 0.00 176.54 178.65 3aet h LEU 146 N 0.02 0.29 0.00 3.11 3.38 -1.96 -3.19 115.31 116.97 3aet h LEU 146 Ca 0.87 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.73 3aet h LEU 146 Cb 3.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 43.86 3aet h LEU 146 CO -0.18 0.37 -1.86 0.47 0.09 0.00 0.00 178.44 177.34 3aet n ASP 147 N -4.34 1.08 -3.78 -0.43 9.92 0.78 -5.03 116.55 114.75 3aet n ASP 147 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 3aet n ASP 147 Cb 0.21 1.58 -0.15 0.00 -0.64 0.00 0.00 41.12 42.12 3aet n ASP 147 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3aet s THR 148 N -3.00 -0.04 -0.19 -3.53 2.01 -0.52 -5.02 115.64 105.35 3aet s THR 148 Ca -0.07 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 3aet s THR 148 Cb 0.10 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.46 3aet s THR 148 CO 0.70 0.06 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.67 3aet s THR 149 N 0.83 2.65 0.00 -0.82 2.01 -1.26 -3.00 115.64 116.05 3aet s THR 149 Ca -0.07 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3aet s THR 149 Cb -0.09 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.26 3aet s THR 149 CO -0.03 0.49 0.00 0.33 -0.69 0.00 0.00 174.62 174.72 3aet n PHE 150 N 4.61 0.00 0.52 4.92 7.35 0.68 -1.10 117.46 134.45 3aet n PHE 150 Ca -0.20 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.61 3aet n PHE 150 Cb 0.51 0.00 0.46 0.00 0.35 0.00 0.00 39.48 40.79 3aet n PHE 150 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3aet n THR 151 N 0.00 0.71 0.25 -2.13 -2.24 -1.26 -2.05 114.28 107.56 3aet n THR 151 Ca 0.00 0.03 0.17 0.00 -2.27 0.00 0.00 64.05 61.98 3aet n THR 151 Cb 0.00 -0.90 0.82 0.00 -2.10 0.00 0.00 70.33 68.15 3aet n THR 151 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3aet h GLN 152 N 0.00 0.00 -0.24 -0.78 4.20 -1.39 -1.86 115.11 115.05 3aet h GLN 152 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3aet h GLN 152 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3aet h GLN 152 CO 0.00 0.00 -0.19 0.78 -0.67 0.00 0.00 178.83 178.75 3aet h GLY 153 N 0.00 0.46 0.93 3.46 0.00 -1.59 -0.33 103.07 106.00 3aet h GLY 153 Ca 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3aet h GLY 153 CO -0.00 0.32 0.08 -2.09 0.00 0.00 0.00 176.54 174.84 3aet h GLU 154 N 0.39 0.62 0.70 4.80 4.81 -1.57 -2.63 114.58 121.70 3aet h GLU 154 Ca 0.07 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3aet h GLU 154 Cb 0.56 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3aet h GLU 154 CO 0.04 0.66 -0.42 0.22 -0.73 0.00 0.00 179.01 178.78 3aet h ASP 155 N 0.47 -1.06 -0.92 1.04 3.58 -1.40 0.19 116.42 118.32 3aet h ASP 155 Ca 0.12 0.06 0.19 0.00 0.42 0.00 0.00 57.03 57.81 3aet h ASP 155 Cb 0.33 0.31 -0.07 0.00 1.72 0.00 0.00 39.33 41.61 3aet h ASP 155 CO 0.00 -0.65 0.60 0.71 -2.88 0.00 0.00 179.24 177.02 3aet h THR 156 N -1.05 0.71 0.51 2.25 1.35 -1.17 0.17 112.91 115.68 3aet h THR 156 Ca -0.09 -0.18 -0.03 0.00 -0.55 0.00 0.00 66.41 65.56 3aet h THR 156 Cb 0.84 0.14 0.01 0.00 -1.73 0.00 0.00 68.15 67.40 3aet h THR 156 CO 0.10 0.10 -0.25 0.00 -0.25 0.00 0.00 175.52 175.22 3aet h LEU 158 N -0.83 -0.63 -1.31 0.00 3.38 0.20 -0.96 115.31 115.17 3aet h LEU 158 Ca -0.07 0.14 0.17 0.00 0.09 0.00 0.00 57.88 58.20 3aet h LEU 158 Cb 0.53 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 3aet h LEU 158 CO 0.12 -0.22 0.58 0.00 0.09 0.00 0.00 178.44 179.01 3aet h ALA 159 N 1.06 1.91 0.00 1.53 0.00 -0.78 0.13 119.26 123.10 3aet h ALA 159 Ca 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3aet h ALA 159 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3aet h ALA 159 CO -0.41 -0.18 -0.10 0.00 0.00 0.00 0.00 179.25 178.55 3aet h ALA 160 N 1.61 1.05 0.02 0.00 0.00 -0.75 -2.97 119.26 118.22 3aet h ALA 160 Ca 0.47 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 55.00 3aet h ALA 160 Cb 0.86 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3aet h ALA 160 CO -0.22 0.13 -1.59 1.98 0.00 0.00 0.00 179.25 179.54 3aet h MET 161 N 0.00 0.05 -0.44 0.00 -1.53 -0.52 -3.38 114.93 109.11 3aet h MET 161 Ca -0.00 -0.09 0.06 0.00 -3.44 0.00 0.00 59.70 56.23 3aet h MET 161 Cb 0.56 0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.59 3aet h MET 161 CO 0.01 0.71 0.15 0.28 0.14 0.00 0.00 176.91 178.20 3aet h VAL 162 N 0.01 0.85 0.00 -5.77 2.07 -1.16 -2.50 116.25 109.75 3aet h VAL 162 Ca -0.25 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3aet h VAL 162 Cb 1.97 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3aet h VAL 162 CO 0.10 0.06 0.06 -2.65 0.02 0.00 0.00 177.57 175.15 3aet n PRO 163 N -5.02 0.13 0.00 1.57 -0.02 -1.25 -2.63 135.00 127.78 3aet n PRO 163 Ca 0.03 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 62.18 3aet n PRO 163 Cb 0.17 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 3aet n PRO 163 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3aet n THR 164 N -2.23 0.00 -1.40 3.45 -2.24 -0.95 -5.00 114.28 105.92 3aet n THR 164 Ca -0.01 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 3aet n THR 164 Cb 0.09 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.34 3aet n THR 164 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3aet n LEU 165 N -1.09 -0.99 -4.77 3.22 4.77 -1.08 -4.90 117.00 112.17 3aet n LEU 165 Ca 0.02 0.85 -0.40 0.00 -0.03 0.00 0.00 56.01 56.45 3aet n LEU 165 Cb 0.13 -1.04 0.02 0.00 -2.33 0.00 0.00 43.42 40.21 3aet n LEU 165 CO 0.16 -3.40 1.08 -1.81 -1.33 0.00 0.00 177.39 172.08 3aet s ASP 166 N -0.99 5.80 0.49 -1.43 1.01 -1.26 -4.84 116.67 115.44 3aet s ASP 166 Ca 0.62 2.95 -0.09 0.00 0.71 0.00 0.00 52.55 56.74 3aet s ASP 166 Cb -0.59 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 40.63 3aet s ASP 166 CO 0.59 -1.23 0.85 0.28 0.21 0.00 0.00 175.17 175.88 3aet s THR 167 N -1.20 4.79 0.19 -1.27 -1.32 -1.26 -2.44 115.64 113.13 3aet s THR 167 Ca 0.62 0.59 -0.19 0.00 -1.21 0.00 0.00 61.69 61.50 3aet s THR 167 Cb -0.44 -3.81 0.03 0.00 -1.51 0.00 0.00 72.50 66.77 3aet s THR 167 CO 0.57 -0.79 0.54 0.28 -2.21 0.00 0.00 174.62 173.01 3aet s THR 168 N -2.70 0.02 -0.21 5.08 -1.32 -0.58 -4.80 115.64 111.14 3aet s THR 168 Ca 0.51 -0.66 -0.16 0.00 -1.21 0.00 0.00 61.69 60.18 3aet s THR 168 Cb -0.10 -1.49 -0.11 0.00 -1.51 0.00 0.00 72.50 69.28 3aet s THR 168 CO 0.41 -0.10 -0.11 1.21 -2.21 0.00 0.00 174.62 173.82 3aet n GLU 169 N -0.35 0.54 -1.15 7.08 4.07 -1.26 -3.86 120.64 125.71 3aet n GLU 169 Ca -0.11 0.43 -0.36 0.00 -0.06 0.00 0.00 57.16 57.07 3aet n GLU 169 Cb 0.63 -1.62 0.08 0.00 -0.06 0.00 0.00 31.44 30.46 3aet n GLU 169 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3aet n ALA 170 N -3.84 -1.93 -3.37 4.31 0.00 -1.26 -4.18 120.51 110.24 3aet n ALA 170 Ca -0.29 -0.33 -0.45 0.00 0.00 0.00 0.00 53.44 52.37 3aet n ALA 170 Cb 0.61 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 3aet n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aet s ALA 171 N -2.02 4.37 0.21 0.00 0.00 -1.26 -3.98 121.76 119.08 3aet s ALA 171 Ca 0.62 -3.60 0.10 0.00 0.00 0.00 0.00 51.96 49.09 3aet s ALA 171 Cb -0.32 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3aet s ALA 171 CO 0.61 -2.23 -0.15 -1.21 0.00 0.00 0.00 175.76 172.78 3aet s GLU 172 N -0.61 1.83 0.05 0.00 2.02 -1.26 -4.89 118.70 115.85 3aet s GLU 172 Ca 0.24 -1.44 -0.26 0.00 0.02 0.00 0.00 54.97 53.53 3aet s GLU 172 Cb -0.10 -2.00 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 3aet s GLU 172 CO -0.09 0.40 0.81 -1.17 0.02 0.00 0.00 175.26 175.23 3aet s LEU 173 N -2.93 4.45 -0.19 1.80 0.20 -1.15 -3.03 118.68 117.84 3aet s LEU 173 Ca 0.25 1.52 -0.03 0.00 0.69 0.00 0.00 54.13 56.55 3aet s LEU 173 Cb -0.08 -3.31 -0.01 0.00 -0.43 0.00 0.00 46.19 42.37 3aet s LEU 173 CO 0.14 -0.01 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.49 3aet s ILE 174 N -0.01 3.31 -0.32 6.68 1.01 -0.65 -0.25 121.20 130.98 3aet s ILE 174 Ca 0.40 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 3aet s ILE 174 Cb -0.21 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3aet s ILE 174 CO 0.24 0.46 0.21 -0.69 0.00 0.00 0.00 174.94 175.17 3aet s VAL 175 N 1.01 5.18 -0.15 2.92 1.01 0.55 -1.03 120.40 129.90 3aet s VAL 175 Ca -0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3aet s VAL 175 Cb -0.15 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3aet s VAL 175 CO -0.00 0.09 0.22 -0.69 0.00 0.00 0.00 175.10 174.72 3aet s VAL 176 N 1.72 5.35 0.00 2.92 1.01 -0.12 -1.15 120.40 130.13 3aet s VAL 176 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3aet s VAL 176 Cb -0.17 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3aet s VAL 176 CO 0.10 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3aet n GLY 177 N 3.06 3.58 3.71 4.51 0.00 0.12 0.55 105.19 120.72 3aet n GLY 177 Ca -0.15 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 3aet n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aet s ALA 178 N 0.00 3.64 0.13 4.61 0.00 -1.26 -4.55 121.76 124.33 3aet s ALA 178 Ca 0.00 1.14 0.10 0.00 0.00 0.00 0.00 51.96 53.20 3aet s ALA 178 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3aet s ALA 178 CO 0.00 -0.79 -0.24 -0.51 0.00 0.00 0.00 175.76 174.22 3aet s LEU 179 N 1.64 2.33 0.26 0.00 1.43 -1.26 -5.05 118.68 118.03 3aet s LEU 179 Ca 0.67 -0.75 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 3aet s LEU 179 Cb -0.38 -1.07 -0.16 0.00 0.03 0.00 0.00 46.19 44.61 3aet s LEU 179 CO 0.30 0.12 0.62 -2.65 0.23 0.00 0.00 176.35 174.97 3aet n PRO 180 N 0.87 0.41 -0.11 1.29 -0.02 -1.26 -4.70 135.00 131.48 3aet n PRO 180 Ca -0.18 0.14 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 3aet n PRO 180 Cb 0.54 -1.27 0.01 0.00 -0.02 0.00 0.00 33.50 32.76 3aet n PRO 180 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3aet h ASP 181 N 1.19 -0.34 -0.67 2.55 5.19 -1.98 -2.13 116.42 120.22 3aet h ASP 181 Ca -0.33 0.11 0.09 0.00 -0.62 0.00 0.00 57.03 56.28 3aet h ASP 181 Cb 1.41 0.23 -0.07 0.00 0.18 0.00 0.00 39.33 41.08 3aet h ASP 181 CO 0.57 -0.12 0.32 -0.37 -3.12 0.00 0.00 179.24 176.51 3aet h VAL 182 N 0.00 0.84 0.32 -1.35 -1.51 -2.01 -2.10 116.25 110.44 3aet h VAL 182 Ca 0.18 -0.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.44 3aet h VAL 182 Cb 0.27 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 3aet h VAL 182 CO -0.38 0.10 -0.15 0.58 -1.23 0.00 0.00 177.57 176.49 3aet h VAL 183 N 0.55 0.70 -0.95 7.19 2.07 -1.78 -1.56 116.25 122.47 3aet h VAL 183 Ca 0.33 -0.40 0.39 0.00 0.82 0.00 0.00 66.70 67.83 3aet h VAL 183 Cb 0.34 0.91 -0.17 0.00 -1.52 0.00 0.00 31.29 30.85 3aet h VAL 183 CO -0.26 0.08 0.47 1.21 0.02 0.00 0.00 177.57 179.09 3aet n GLU 184 N -5.18 -0.06 0.01 1.57 2.13 -0.85 -0.50 120.64 117.76 3aet n GLU 184 Ca -0.10 1.32 -0.18 0.00 0.66 0.00 0.00 57.16 58.86 3aet n GLU 184 Cb 0.25 -2.35 -0.07 0.00 0.27 0.00 0.00 31.44 29.54 3aet n GLU 184 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3aet h ASP 185 N 0.00 0.88 -0.88 4.31 3.32 -0.63 -0.76 116.42 122.66 3aet h ASP 185 Ca 0.79 -0.63 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3aet h ASP 185 Cb 2.06 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 41.30 3aet h ASP 185 CO -0.74 1.43 0.57 1.56 -1.72 0.00 0.00 179.24 180.33 3aet h GLN 186 N 0.45 1.16 0.78 3.56 4.20 -0.51 0.50 115.11 125.25 3aet h GLN 186 Ca -0.08 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 3aet h GLN 186 Cb 1.52 -0.26 0.01 0.00 0.30 0.00 0.00 27.48 29.05 3aet h GLN 186 CO 0.17 0.78 -0.37 0.00 -0.67 0.00 0.00 178.83 178.74 3aet n LEU 188 N -5.51 -0.64 0.17 0.00 7.99 -0.30 -2.39 117.00 116.33 3aet n LEU 188 Ca -0.14 1.73 -0.14 0.00 -0.01 0.00 0.00 56.01 57.44 3aet n LEU 188 Cb 0.42 -0.40 -0.07 0.00 -0.11 0.00 0.00 43.42 43.27 3aet n LEU 188 CO 0.36 -1.55 0.67 -1.28 -1.51 0.00 0.00 177.39 174.08 3aet h SER 189 N 0.00 -0.81 -0.58 -1.43 0.87 -0.56 -2.01 113.55 109.04 3aet h SER 189 Ca 0.35 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 3aet h SER 189 Cb 0.59 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 3aet h SER 189 CO -0.98 -0.41 0.32 -0.07 -0.53 0.00 0.00 176.83 175.15 3aet h LEU 190 N -0.60 0.72 -1.49 2.23 3.38 -1.20 -2.28 115.31 116.08 3aet h LEU 190 Ca -0.00 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3aet h LEU 190 Cb 0.56 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3aet h LEU 190 CO -0.09 0.60 0.38 -0.07 0.09 0.00 0.00 178.44 179.35 3aet h LEU 191 N 0.78 0.58 -0.08 1.67 3.38 -1.22 -1.74 115.31 118.68 3aet h LEU 191 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3aet h LEU 191 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3aet h LEU 191 CO -0.03 0.40 0.02 0.74 0.09 0.00 0.00 178.44 179.66 3aet h THR 192 N 0.67 1.18 0.00 0.22 2.02 -0.86 -1.79 112.91 114.35 3aet h THR 192 Ca 0.23 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3aet h THR 192 Cb 0.08 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3aet h THR 192 CO -0.06 0.15 0.00 1.56 0.37 0.00 0.00 175.52 177.54 3aet h GLN 193 N -0.07 0.00 0.00 6.66 4.20 -0.86 0.32 115.11 125.37 3aet h GLN 193 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3aet h GLN 193 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3aet h GLN 193 CO -0.00 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 178.09 3aet h LEU 194 N 0.00 0.00 0.00 1.46 3.38 -1.32 -3.48 115.31 115.35 3aet h LEU 194 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3aet h LEU 194 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3aet h LEU 194 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3aet n GLY 195 N 0.67 1.09 3.51 0.83 0.00 0.11 -4.92 105.19 106.49 3aet n GLY 195 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3aet n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3aet s VAL 196 N -2.00 4.18 1.12 1.61 1.01 -0.68 -5.00 120.40 120.64 3aet s VAL 196 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 3aet s VAL 196 Cb 0.00 -4.92 0.26 0.00 0.00 0.00 0.00 36.38 31.72 3aet s VAL 196 CO 0.00 -1.75 1.05 -0.83 0.00 0.00 0.00 175.10 173.57 3aet s GLY 197 N 4.29 1.57 0.00 4.51 0.00 -1.26 -4.46 107.32 111.98 3aet s GLY 197 Ca 0.38 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.13 3aet s GLY 197 CO -0.05 0.68 0.00 -1.05 0.00 0.00 0.00 173.10 172.69 3aet n PRO 198 N -4.81 0.00 -4.58 2.90 -0.01 -1.26 -4.62 135.00 122.62 3aet n PRO 198 Ca 0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 63.50 63.30 3aet n PRO 198 Cb 0.54 0.00 -0.16 0.00 -0.01 0.00 0.00 33.50 33.86 3aet n PRO 198 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 3aet s VAL 199 N 0.00 1.10 0.31 -1.45 0.11 -1.26 -2.92 120.40 116.29 3aet s VAL 199 Ca 0.00 -0.48 0.10 0.00 -2.93 0.00 0.00 61.98 58.67 3aet s VAL 199 Cb 0.00 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 3aet s VAL 199 CO 0.00 0.34 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.88 3aet s ARG 200 N 0.49 1.88 -0.11 1.54 1.81 0.66 -4.97 118.95 120.25 3aet s ARG 200 Ca -0.11 -1.78 -0.05 0.00 -1.72 0.00 0.00 55.73 52.08 3aet s ARG 200 Cb -0.14 -1.83 -0.04 0.00 -0.45 0.00 0.00 34.95 32.49 3aet s ARG 200 CO 0.03 0.23 0.07 -1.64 -0.68 0.00 0.00 175.30 173.31 3aet s MET 201 N -3.61 3.30 -0.22 3.54 -1.94 -1.26 -0.33 119.30 118.79 3aet s MET 201 Ca 0.32 -0.28 0.01 0.00 -1.71 0.00 0.00 55.69 54.03 3aet s MET 201 Cb -0.02 -3.01 0.03 0.00 2.01 0.00 0.00 34.83 33.84 3aet s MET 201 CO 0.17 0.68 -0.15 -1.17 -0.01 0.00 0.00 175.02 174.54 3aet s LEU 202 N -0.78 2.70 0.48 -0.03 2.96 -0.30 -3.16 118.68 120.56 3aet s LEU 202 Ca 0.13 -0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 53.05 3aet s LEU 202 Cb -0.12 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 3aet s LEU 202 CO 0.03 -0.08 0.83 -2.16 -1.32 0.00 0.00 176.35 173.65 3aet s PRO 203 N 1.24 3.65 0.66 0.98 0.04 -1.26 -0.70 135.00 139.61 3aet s PRO 203 Ca 0.00 0.42 -0.09 0.00 0.04 0.00 0.00 61.00 61.37 3aet s PRO 203 Cb -0.16 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.08 3aet s PRO 203 CO -0.09 -0.22 1.02 0.00 0.04 0.00 0.00 177.00 177.75 3aet s ALA 204 N -2.69 3.05 0.13 8.56 0.00 -1.19 -4.88 121.76 124.74 3aet s ALA 204 Ca 0.51 -0.48 0.29 0.00 0.00 0.00 0.00 51.96 52.27 3aet s ALA 204 Cb -0.10 -2.86 1.16 0.00 0.00 0.00 0.00 23.12 21.32 3aet s ALA 204 CO 0.41 -1.01 1.92 0.00 0.00 0.00 0.00 175.76 177.08 3aet h ARG 205 N -0.47 0.00 -4.06 0.00 3.08 -1.87 -3.39 114.38 107.67 3aet h ARG 205 Ca -0.45 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.49 3aet h ARG 205 Cb 1.26 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.16 3aet h ARG 205 CO 0.63 0.11 -0.55 0.50 -1.07 0.00 0.00 179.97 179.59 3aet s ARG 206 N -3.69 0.71 0.14 0.04 3.52 -1.26 -1.48 118.95 116.92 3aet s ARG 206 Ca 0.01 -1.11 0.26 0.00 -0.13 0.00 0.00 55.73 54.76 3aet s ARG 206 Cb 0.10 0.26 0.82 0.00 -1.56 0.00 0.00 34.95 34.57 3aet s ARG 206 CO 0.59 -0.17 1.73 -1.13 -0.81 0.00 0.00 175.30 175.50 3aet n SER 207 N 0.05 0.61 0.02 -2.12 3.41 -1.26 -3.41 113.62 110.91 3aet n SER 207 Ca -0.14 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.05 3aet n SER 207 Cb 0.62 -0.54 0.34 0.00 -0.26 0.00 0.00 64.21 64.36 3aet n SER 207 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3aet n ASP 208 N -2.04 0.43 -2.20 4.04 5.75 -1.26 -3.91 116.55 117.36 3aet n ASP 208 Ca 0.06 0.08 -0.26 0.00 -0.01 0.00 0.00 54.79 54.65 3aet n ASP 208 Cb 0.41 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.48 3aet n ASP 208 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3aet n ILE 209 N -1.67 2.63 -2.43 2.12 -5.35 -1.22 -5.03 119.36 108.40 3aet n ILE 209 Ca 0.05 -4.30 -0.42 0.00 -0.27 0.00 0.00 62.75 57.82 3aet n ILE 209 Cb 0.36 -1.18 -0.03 0.00 -1.74 0.00 0.00 39.64 37.05 3aet n ILE 209 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3aet s GLU 210 N -3.62 4.47 0.39 6.28 0.41 -1.25 -4.74 118.70 120.63 3aet s GLU 210 Ca 0.51 1.78 -0.28 0.00 -0.41 0.00 0.00 54.97 56.58 3aet s GLU 210 Cb 0.42 -3.32 -0.11 0.00 -1.78 0.00 0.00 34.13 29.35 3aet s GLU 210 CO -0.04 -0.17 1.49 -1.25 -0.49 0.00 0.00 175.26 174.80 3aet s PRO 211 N 0.59 4.03 0.49 0.39 0.04 -1.26 -4.89 135.00 134.38 3aet s PRO 211 Ca 0.56 2.58 -0.09 0.00 0.04 0.00 0.00 61.00 64.09 3aet s PRO 211 Cb -0.30 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 3aet s PRO 211 CO 0.31 -0.60 0.85 0.00 0.04 0.00 0.00 177.00 177.60 3aet s ALA 212 N -1.13 3.30 0.10 8.56 0.00 -1.26 -4.61 121.76 126.71 3aet s ALA 212 Ca 0.54 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.27 3aet s ALA 212 Cb -0.47 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3aet s ALA 212 CO 0.63 -0.30 -0.11 0.14 0.00 0.00 0.00 175.76 176.12 3aet s VAL 213 N -2.70 1.01 0.25 0.00 -7.23 -1.02 -4.92 120.40 105.79 3aet s VAL 213 Ca 0.51 -1.61 -0.20 0.00 -1.81 0.00 0.00 61.98 58.87 3aet s VAL 213 Cb -0.10 -1.34 0.07 0.00 0.56 0.00 0.00 36.38 35.56 3aet s VAL 213 CO 0.41 -0.50 0.96 -0.83 -0.31 0.00 0.00 175.10 174.83 3aet s GLY 214 N -2.36 0.18 0.65 2.32 0.00 -1.25 -1.52 107.32 105.34 3aet s GLY 214 Ca 0.05 -0.45 0.33 0.00 0.00 0.00 0.00 44.72 44.64 3aet s GLY 214 CO 0.01 1.48 2.03 -0.56 0.00 0.00 0.00 173.10 176.06 3aet h PRO 215 N 2.00 0.00 -0.02 2.90 0.13 -1.72 -1.27 132.00 134.02 3aet h PRO 215 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3aet h PRO 215 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3aet h PRO 215 CO 0.37 0.00 -0.19 0.09 -0.23 0.00 0.00 178.00 178.04 3aet n ASN 216 N -3.12 1.95 -4.74 1.44 5.03 -1.26 -4.56 115.26 110.00 3aet n ASN 216 Ca -0.01 -1.48 -0.41 0.00 0.87 0.00 0.00 54.58 53.55 3aet n ASN 216 Cb 0.33 0.27 -0.03 0.00 -1.02 0.00 0.00 39.78 39.34 3aet n ASN 216 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3aet s THR 217 N -1.69 2.81 0.04 3.41 2.01 -0.48 -4.31 115.64 117.43 3aet s THR 217 Ca 0.16 0.67 0.04 0.00 0.31 0.00 0.00 61.69 62.87 3aet s THR 217 Cb 0.13 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 3aet s THR 217 CO 0.32 0.10 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.18 3aet s ARG 218 N -0.17 2.52 0.06 4.92 1.81 -1.17 -1.22 118.95 125.70 3aet s ARG 218 Ca 0.59 -0.78 0.01 0.00 -1.72 0.00 0.00 55.73 53.83 3aet s ARG 218 Cb -0.40 -2.51 -0.03 0.00 -0.45 0.00 0.00 34.95 31.56 3aet s ARG 218 CO 0.41 0.58 -0.05 -0.59 -0.68 0.00 0.00 175.30 174.96 3aet s PHE 219 N -1.12 0.62 0.03 -0.53 -0.71 -0.99 -1.64 117.98 113.63 3aet s PHE 219 Ca 0.20 -0.81 0.03 0.00 -1.04 0.00 0.00 56.93 55.31 3aet s PHE 219 Cb -0.11 -0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 41.29 3aet s PHE 219 CO 0.12 -0.22 -0.08 -1.50 -1.34 0.00 0.00 175.22 172.20 3aet s ILE 220 N -2.87 0.64 -0.20 -4.49 2.07 -0.19 -0.18 121.20 115.96 3aet s ILE 220 Ca 0.01 -0.79 -0.25 0.00 -1.41 0.00 0.00 60.65 58.21 3aet s ILE 220 Cb 0.00 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 41.96 3aet s ILE 220 CO -0.05 -0.13 0.84 -0.76 -1.91 0.00 0.00 174.94 172.93 3aet s LEU 221 N -1.01 4.13 0.33 8.50 1.43 -1.26 -0.95 118.68 129.85 3aet s LEU 221 Ca -0.03 1.12 0.24 0.00 -1.03 0.00 0.00 54.13 54.43 3aet s LEU 221 Cb -0.07 -3.22 0.52 0.00 0.03 0.00 0.00 46.19 43.45 3aet s LEU 221 CO 0.00 -0.46 1.65 0.00 0.23 0.00 0.00 176.35 177.78 3aet h ALA 222 N 7.49 0.97 -3.58 4.21 0.00 -0.24 -3.46 119.26 124.65 3aet h ALA 222 Ca -0.26 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 3aet h ALA 222 Cb 1.11 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 3aet h ALA 222 CO 0.86 0.00 -0.66 -0.65 0.00 0.00 0.00 179.25 178.79 3aet s GLN 223 N -3.17 0.05 0.51 0.00 -1.52 -1.22 -4.73 119.66 109.58 3aet s GLN 223 Ca 0.08 0.10 0.29 0.00 -1.95 0.00 0.00 55.36 53.88 3aet s GLN 223 Cb 0.08 -0.01 1.29 0.00 -0.22 0.00 0.00 33.01 34.15 3aet s GLN 223 CO 0.65 -0.03 1.97 -1.00 -0.25 0.00 0.00 175.29 176.62 3aet h PRO 224 N 6.26 0.00 -1.35 2.91 0.13 -1.90 -3.33 132.00 134.72 3aet h PRO 224 Ca -0.28 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.54 3aet h PRO 224 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3aet h PRO 224 CO 0.47 0.12 0.41 1.97 -0.23 0.00 0.00 178.00 180.74 3aet n PHE 225 N -3.35 1.60 -1.99 1.56 -1.74 -1.26 -4.56 117.46 107.73 3aet n PHE 225 Ca -0.00 -1.76 -0.25 0.00 -0.56 0.00 0.00 57.45 54.87 3aet n PHE 225 Cb 0.32 -0.87 0.02 0.00 1.52 0.00 0.00 39.48 40.48 3aet n PHE 225 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3aet n LEU 226 N 0.10 5.17 0.25 5.98 4.77 -1.25 -4.40 117.00 127.62 3aet n LEU 226 Ca 0.31 -4.74 -0.17 0.00 -0.03 0.00 0.00 56.01 51.39 3aet n LEU 226 Cb 0.74 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 3aet n LEU 226 CO 0.37 2.06 0.59 1.23 -1.33 0.00 0.00 177.39 180.32 3aet h GLY 227 N 2.19 -0.98 1.36 -0.72 0.00 -1.93 -0.94 103.07 102.04 3aet h GLY 227 Ca 0.39 0.47 -0.08 0.00 0.00 0.00 0.00 47.33 48.11 3aet h GLY 227 CO 0.84 -0.33 -0.04 0.83 0.00 0.00 0.00 176.54 177.85 3aet h GLU 228 N -0.84 0.78 -0.42 4.80 5.08 -1.91 0.12 114.58 122.19 3aet h GLU 228 Ca -0.04 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 3aet h GLU 228 Cb 0.74 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3aet h GLU 228 CO -0.06 0.81 -0.03 1.15 -1.00 0.00 0.00 179.01 179.89 3aet h THR 229 N 0.72 1.27 -0.16 1.13 2.02 -1.77 0.21 112.91 116.32 3aet h THR 229 Ca 0.14 -1.07 0.05 0.00 0.77 0.00 0.00 66.41 66.29 3aet h THR 229 Cb 0.49 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 3aet h THR 229 CO 0.03 0.36 -0.16 0.74 0.37 0.00 0.00 175.52 176.86 3aet h THR 230 N 0.59 0.58 -0.74 3.16 2.02 -0.89 -0.16 112.91 117.47 3aet h THR 230 Ca 0.12 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.45 3aet h THR 230 Cb 0.52 0.58 -0.11 0.00 -1.74 0.00 0.00 68.15 67.40 3aet h THR 230 CO 0.03 0.00 0.20 1.23 0.37 0.00 0.00 175.52 177.35 3aet h GLY 231 N -0.18 1.05 1.21 2.16 0.00 0.04 -0.19 103.07 107.15 3aet h GLY 231 Ca 0.10 -0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.13 3aet h GLY 231 CO -0.26 -0.18 -0.88 0.00 0.00 0.00 0.00 176.54 175.21 3aet h ALA 232 N 1.60 0.25 -0.85 3.60 0.00 -0.20 -2.56 119.26 121.10 3aet h ALA 232 Ca 0.42 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3aet h ALA 232 Cb 0.70 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3aet h ALA 232 CO -0.49 0.69 0.45 -0.07 0.00 0.00 0.00 179.25 179.83 3aet h LEU 233 N 0.48 1.07 -0.76 0.00 3.38 -0.60 -2.66 115.31 116.22 3aet h LEU 233 Ca -0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3aet h LEU 233 Cb 1.52 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3aet h LEU 233 CO 0.18 0.87 0.35 -0.33 0.09 0.00 0.00 178.44 179.60 3aet h GLU 234 N 1.18 1.11 0.00 1.13 5.08 -1.01 -1.63 114.58 120.45 3aet h GLU 234 Ca 0.30 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3aet h GLU 234 Cb 0.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3aet h GLU 234 CO -0.05 0.88 0.00 -2.13 -1.00 0.00 0.00 179.01 176.71 3aet n ARG 235 N -4.36 0.13 -0.23 2.33 0.63 -0.97 -0.32 116.66 113.86 3aet n ARG 235 Ca 0.07 0.21 0.09 0.00 -0.92 0.00 0.00 57.85 57.29 3aet n ARG 235 Cb 0.15 -1.50 0.22 0.00 0.45 0.00 0.00 32.46 31.77 3aet n ARG 235 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3aet n ARG 236 N -1.32 2.56 -0.80 -0.14 5.12 -0.63 -4.97 116.66 116.48 3aet n ARG 236 Ca 0.05 -2.25 0.00 0.00 -1.93 0.00 0.00 57.85 53.72 3aet n ARG 236 Cb 0.09 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 3aet n ARG 236 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3aet n GLY 237 N 1.12 0.90 3.77 -0.13 0.00 0.56 -4.02 105.19 107.40 3aet n GLY 237 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3aet n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aet s ALA 238 N -3.59 3.27 -0.11 4.61 0.00 -1.10 -4.33 121.76 120.50 3aet s ALA 238 Ca 0.00 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 3aet s ALA 238 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3aet s ALA 238 CO 0.00 0.09 -0.10 0.21 0.00 0.00 0.00 175.76 175.96 3aet s LYS 239 N -1.74 3.18 0.75 0.00 2.20 -0.36 -3.80 119.74 119.98 3aet s LYS 239 Ca 0.47 -0.62 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 3aet s LYS 239 Cb -0.23 -2.64 0.05 0.00 -1.51 0.00 0.00 37.83 33.49 3aet s LYS 239 CO 0.29 0.38 1.10 0.50 -0.36 0.00 0.00 175.35 177.26 3aet s ARG 240 N -0.06 2.34 -0.20 4.03 3.52 -1.26 -2.35 118.95 124.98 3aet s ARG 240 Ca -0.01 1.22 -0.01 0.00 -0.13 0.00 0.00 55.73 56.81 3aet s ARG 240 Cb -0.14 -1.90 0.01 0.00 -1.56 0.00 0.00 34.95 31.36 3aet s ARG 240 CO 0.03 -1.58 -0.14 0.42 -0.81 0.00 0.00 175.30 173.22 3aet s ILE 241 N -2.78 2.53 0.39 4.11 1.01 0.74 -4.79 121.20 122.41 3aet s ILE 241 Ca 0.62 -0.82 -0.24 0.00 0.00 0.00 0.00 60.65 60.21 3aet s ILE 241 Cb -0.18 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.08 3aet s ILE 241 CO 0.53 0.47 1.07 0.00 0.00 0.00 0.00 174.94 177.00 3aet s ALA 242 N 1.35 3.11 -0.29 9.38 0.00 -1.26 -4.48 121.76 129.57 3aet s ALA 242 Ca 0.05 0.74 -0.25 0.00 0.00 0.00 0.00 51.96 52.50 3aet s ALA 242 Cb -0.14 -3.29 0.14 0.00 0.00 0.00 0.00 23.12 19.83 3aet s ALA 242 CO -0.09 -0.25 1.11 0.00 0.00 0.00 0.00 175.76 176.53 3aet s ALA 243 N -1.60 -2.04 0.58 0.00 0.00 -1.26 -4.86 121.76 112.58 3aet s ALA 243 Ca 0.57 1.85 -0.18 0.00 0.00 0.00 0.00 51.96 54.20 3aet s ALA 243 Cb -0.24 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3aet s ALA 243 CO 0.30 -0.21 1.13 -1.25 0.00 0.00 0.00 175.76 175.72 3aet s PRO 244 N 0.24 3.16 0.33 0.00 0.04 -1.26 -4.83 135.00 132.69 3aet s PRO 244 Ca 0.03 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.37 3aet s PRO 244 Cb -0.05 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 3aet s PRO 244 CO -0.08 -1.00 1.14 -0.06 0.04 0.00 0.00 177.00 177.04 3aet s PHE 245 N -1.92 3.34 -1.18 0.56 0.08 -1.26 -4.30 117.98 113.31 3aet s PHE 245 Ca 0.72 1.62 -0.22 0.00 0.12 0.00 0.00 56.93 59.17 3aet s PHE 245 Cb -0.23 -3.34 -0.07 0.00 -0.57 0.00 0.00 43.02 38.80 3aet s PHE 245 CO 0.32 -0.92 1.91 -0.35 -0.10 0.00 0.00 175.22 176.08 3aet n PRO 246 N 0.70 1.82 -4.42 0.24 -0.04 -1.26 -4.50 135.00 127.53 3aet n PRO 246 Ca 0.01 -2.54 -0.23 0.00 -0.04 0.00 0.00 63.50 60.70 3aet n PRO 246 Cb 0.45 -3.65 -0.16 0.00 -0.04 0.00 0.00 33.50 30.10 3aet n PRO 246 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3aet s PHE 247 N 9.71 1.19 0.10 0.54 0.40 -1.26 -2.49 117.98 126.16 3aet s PHE 247 Ca 0.66 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 3aet s PHE 247 Cb 0.01 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.63 3aet s PHE 247 CO 0.13 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.21 3aet n GLY 248 N 3.91 -1.74 0.24 4.36 0.00 -1.26 -2.65 105.19 108.05 3aet n GLY 248 Ca -0.24 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 3aet n GLY 248 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3aet h GLU 249 N -0.33 0.81 -0.60 1.61 4.22 -1.93 -1.77 114.58 116.59 3aet h GLU 249 Ca -0.01 -0.36 -0.05 0.00 0.08 0.00 0.00 59.36 59.02 3aet h GLU 249 Cb 0.32 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3aet h GLU 249 CO 0.01 0.99 0.16 1.49 -2.18 0.00 0.00 179.01 179.48 3aet h GLU 250 N 0.61 0.93 0.36 1.92 4.81 -1.99 -0.55 114.58 120.66 3aet h GLU 250 Ca 0.08 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3aet h GLU 250 Cb 0.76 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3aet h GLU 250 CO 0.06 0.82 -0.17 0.78 -0.73 0.00 0.00 179.01 179.76 3aet h GLY 251 N 1.02 -0.50 -0.43 1.92 0.00 -1.39 -2.36 103.07 101.33 3aet h GLY 251 Ca 0.20 0.19 0.19 0.00 0.00 0.00 0.00 47.33 47.90 3aet h GLY 251 CO -0.00 -0.18 0.03 -0.84 0.00 0.00 0.00 176.54 175.54 3aet h THR 252 N -0.59 0.31 0.80 4.70 2.02 -1.35 0.11 112.91 118.91 3aet h THR 252 Ca -0.05 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3aet h THR 252 Cb 0.37 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3aet h THR 252 CO 0.08 0.02 -0.39 0.74 0.37 0.00 0.00 175.52 176.34 3aet h THR 253 N 0.11 0.00 -0.92 3.16 2.02 -1.11 0.46 112.91 116.63 3aet h THR 253 Ca 0.44 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.82 3aet h THR 253 Cb 0.81 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.11 3aet h THR 253 CO -0.69 0.00 0.49 -0.07 0.37 0.00 0.00 175.52 175.62 3aet h LEU 254 N -1.09 0.55 0.35 2.58 4.07 -1.19 1.00 115.31 121.59 3aet h LEU 254 Ca -0.11 0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3aet h LEU 254 Cb 0.84 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.59 3aet h LEU 254 CO 0.17 0.16 -0.33 -0.25 -1.08 0.00 0.00 178.44 177.11 3aet h TRP 255 N 0.59 -0.88 0.06 1.13 7.01 -0.49 0.10 115.95 123.47 3aet h TRP 255 Ca 0.54 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.57 3aet h TRP 255 Cb 0.90 0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 28.26 3aet h TRP 255 CO -0.07 -0.47 -0.26 -0.07 -2.79 0.00 0.00 178.44 174.77 3aet h LEU 256 N -0.70 -0.77 -1.00 0.65 -0.00 0.15 -2.65 115.31 111.00 3aet h LEU 256 Ca -0.02 0.10 0.30 0.00 -0.00 0.00 0.00 57.88 58.26 3aet h LEU 256 Cb 0.63 0.30 -0.14 0.00 -0.00 0.00 0.00 40.66 41.44 3aet h LEU 256 CO -0.05 -0.34 0.55 0.50 -0.00 0.00 0.00 178.44 179.10 3aet h LYS 257 N -0.44 0.35 -0.59 1.13 1.63 0.16 0.31 116.57 119.12 3aet h LYS 257 Ca 0.05 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 3aet h LYS 257 Cb 0.50 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 3aet h LYS 257 CO -0.19 0.23 -0.04 0.00 -3.45 0.00 0.00 179.45 176.00 3aet h ALA 258 N 1.83 0.82 -0.19 5.00 0.00 -0.44 -0.24 119.26 126.04 3aet h ALA 258 Ca 0.71 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 55.14 3aet h ALA 258 Cb 1.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3aet h ALA 258 CO -0.59 0.67 -0.49 0.28 0.00 0.00 0.00 179.25 179.12 3aet h VAL 259 N 0.95 1.32 -0.42 0.00 2.07 -0.94 -2.83 116.25 116.40 3aet h VAL 259 Ca 0.16 -1.73 0.08 0.00 0.82 0.00 0.00 66.70 66.04 3aet h VAL 259 Cb 0.60 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 32.19 3aet h VAL 259 CO 0.04 0.54 -0.12 0.00 0.02 0.00 0.00 177.57 178.04 3aet h ALA 260 N 0.58 0.24 0.64 1.67 0.00 -0.76 -0.89 119.26 120.74 3aet h ALA 260 Ca -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3aet h ALA 260 Cb 1.11 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3aet h ALA 260 CO 0.11 -0.47 -0.32 -0.44 0.00 0.00 0.00 179.25 178.12 3aet h ASP 261 N -0.03 -0.77 -0.11 0.00 3.32 -1.05 -2.19 116.42 115.59 3aet h ASP 261 Ca 0.20 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.31 3aet h ASP 261 Cb 0.34 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3aet h ASP 261 CO -0.44 -0.54 0.12 0.00 -1.72 0.00 0.00 179.24 176.66 3aet h ALA 262 N -0.53 1.68 -0.52 3.45 0.00 -1.32 -2.32 119.26 119.72 3aet h ALA 262 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3aet h ALA 262 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3aet h ALA 262 CO 0.13 -0.17 0.00 0.66 0.00 0.00 0.00 179.25 179.87 3aet n TYR 263 N -3.81 0.69 -3.00 0.00 4.01 -0.36 -5.00 117.16 109.69 3aet n TYR 263 Ca -0.00 -0.40 -0.07 0.00 -0.16 0.00 0.00 57.90 57.26 3aet n TYR 263 Cb 0.23 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.28 3aet n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3aet n GLY 264 N 1.33 -1.05 3.17 2.72 0.00 -0.87 -5.04 105.19 105.45 3aet n GLY 264 Ca 0.19 0.46 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 3aet n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3aet s VAL 265 N -3.19 2.05 0.31 1.61 1.01 -0.92 -5.05 120.40 116.22 3aet s VAL 265 Ca 0.23 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 3aet s VAL 265 Cb -0.03 -1.80 -0.12 0.00 0.00 0.00 0.00 36.38 34.43 3aet s VAL 265 CO 0.67 0.55 1.51 -1.54 0.00 0.00 0.00 175.10 176.29 3aet n SER 266 N 4.01 3.54 -0.33 3.32 3.41 -1.26 -4.75 113.62 121.57 3aet n SER 266 Ca -0.20 1.17 0.36 0.00 -0.26 0.00 0.00 58.87 59.94 3aet n SER 266 Cb 0.52 -1.56 0.74 0.00 -0.26 0.00 0.00 64.21 63.65 3aet n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3aet h ALA 267 N 3.99 3.12 0.08 7.33 0.00 -1.99 -0.65 119.26 131.15 3aet h ALA 267 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3aet h ALA 267 Cb 1.24 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3aet h ALA 267 CO 0.73 -1.53 -0.21 1.49 0.00 0.00 0.00 179.25 179.74 3aet h GLU 268 N 0.00 -0.30 -0.14 0.00 4.57 -2.00 0.29 114.58 117.01 3aet h GLU 268 Ca 0.57 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.75 3aet h GLU 268 Cb 2.38 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 31.03 3aet h GLU 268 CO -0.01 -0.20 -0.04 -0.22 -1.18 0.00 0.00 179.01 177.37 3aet h LYS 269 N -0.31 0.20 0.52 1.92 3.64 -1.52 -2.46 116.57 118.55 3aet h LYS 269 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3aet h LYS 269 Cb 0.31 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3aet h LYS 269 CO -0.10 0.25 -0.25 0.35 -2.27 0.00 0.00 179.45 177.44 3aet h PHE 270 N 0.19 -0.65 -0.74 1.91 3.04 -1.02 -1.89 116.94 117.78 3aet h PHE 270 Ca 0.05 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 3aet h PHE 270 Cb 0.20 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 3aet h PHE 270 CO 0.00 -0.33 0.25 0.93 -2.02 0.00 0.00 178.31 177.14 3aet h GLU 271 N -0.89 1.13 -0.06 1.11 4.39 -0.28 0.29 114.58 120.27 3aet h GLU 271 Ca -0.07 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.28 3aet h GLU 271 Cb 0.61 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3aet h GLU 271 CO 0.12 0.95 -0.52 0.00 -1.16 0.00 0.00 179.01 178.40 3aet h ALA 272 N 1.17 1.03 0.14 3.43 0.00 -1.51 0.13 119.26 123.65 3aet h ALA 272 Ca 0.24 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3aet h ALA 272 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3aet h ALA 272 CO -0.01 0.66 -0.07 0.28 0.00 0.00 0.00 179.25 180.11 3aet h VAL 273 N 0.12 0.58 0.00 0.00 2.07 -1.08 -3.38 116.25 114.56 3aet h VAL 273 Ca 0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3aet h VAL 273 Cb 0.96 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3aet h VAL 273 CO 0.08 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.84 3aet h THR 274 N -0.97 0.00 0.69 2.57 1.03 -0.43 -3.34 112.91 112.45 3aet h THR 274 Ca -0.02 -0.39 -0.03 0.00 -0.01 0.00 0.00 66.41 65.96 3aet h THR 274 Cb 0.43 1.25 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 3aet h THR 274 CO 0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 175.52 175.19 3aet h ALA 275 N 2.31 -1.24 -0.24 0.00 0.00 -0.93 -2.34 119.26 116.82 3aet h ALA 275 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3aet h ALA 275 Cb 0.54 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 3aet h ALA 275 CO 0.00 -1.18 -0.52 0.00 0.00 0.00 0.00 179.25 177.56 3aet h ALA 276 N -1.49 -0.76 -0.23 0.00 0.00 -1.82 -2.67 119.26 112.30 3aet h ALA 276 Ca -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3aet h ALA 276 Cb 0.74 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3aet h ALA 276 CO 0.14 -1.03 -0.02 -1.35 0.00 0.00 0.00 179.25 176.99 3aet h PRO 277 N -0.49 0.33 -0.16 0.00 0.11 -1.79 -2.93 132.00 127.08 3aet h PRO 277 Ca 0.06 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 3aet h PRO 277 Cb 0.64 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3aet h PRO 277 CO -0.49 0.38 -0.21 0.00 -0.21 0.00 0.00 178.00 177.46 3aet h ARG 278 N 0.33 0.28 0.22 1.05 3.08 -1.07 -2.29 114.38 115.98 3aet h ARG 278 Ca 0.07 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3aet h ARG 278 Cb 0.25 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3aet h ARG 278 CO 0.01 0.49 -0.10 0.00 -1.07 0.00 0.00 179.97 179.30 3aet h ALA 279 N 1.52 -0.29 -0.65 0.04 0.00 -1.36 -2.12 119.26 116.39 3aet h ALA 279 Ca 0.05 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3aet h ALA 279 Cb 0.53 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 3aet h ALA 279 CO 0.04 -0.40 -0.39 0.54 0.00 0.00 0.00 179.25 179.04 3aet n ARG 280 N -5.00 -0.29 0.21 0.00 5.12 -1.14 -1.57 116.66 113.99 3aet n ARG 280 Ca -0.08 1.03 -0.15 0.00 -1.93 0.00 0.00 57.85 56.71 3aet n ARG 280 Cb 0.26 -1.51 -0.07 0.00 -1.16 0.00 0.00 32.46 29.98 3aet n ARG 280 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3aet h ALA 281 N 0.29 -0.63 -0.90 7.54 0.00 -1.42 -1.88 119.26 122.26 3aet h ALA 281 Ca 0.10 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3aet h ALA 281 Cb 0.27 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 3aet h ALA 281 CO -0.61 -0.88 0.58 -0.22 0.00 0.00 0.00 179.25 178.12 3aet h LYS 282 N -0.63 0.84 0.54 0.00 3.64 -0.58 0.05 116.57 120.43 3aet h LYS 282 Ca -0.02 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3aet h LYS 282 Cb 0.56 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3aet h LYS 282 CO -0.03 0.56 -0.26 -0.22 -2.27 0.00 0.00 179.45 177.23 3aet h LYS 283 N 0.86 -0.70 -1.01 1.90 3.64 -1.24 -2.17 116.57 117.86 3aet h LYS 283 Ca 0.43 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 60.08 3aet h LYS 283 Cb 0.46 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.33 3aet h LYS 283 CO -0.19 -0.42 0.61 0.00 -2.27 0.00 0.00 179.45 177.18 3aet h ALA 284 N -0.99 1.80 -0.66 5.00 0.00 -0.53 0.14 119.26 124.02 3aet h ALA 284 Ca -0.07 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3aet h ALA 284 Cb 0.61 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3aet h ALA 284 CO 0.12 -0.23 0.10 0.82 0.00 0.00 0.00 179.25 180.06 3aet h ILE 285 N 0.63 1.26 -0.73 0.00 2.04 -1.00 -3.19 117.51 116.53 3aet h ILE 285 Ca 0.61 -1.05 0.14 0.00 1.00 0.00 0.00 64.86 65.57 3aet h ILE 285 Cb 1.13 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 3aet h ILE 285 CO -0.42 0.39 0.49 0.00 0.00 0.00 0.00 178.15 178.61 3aet h ALA 286 N 1.04 2.11 -0.09 1.87 0.00 -0.03 -0.96 119.26 123.20 3aet h ALA 286 Ca 0.20 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3aet h ALA 286 Cb 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3aet h ALA 286 CO 0.01 -0.30 0.30 0.00 0.00 0.00 0.00 179.25 179.26 3aet h ALA 287 N 1.65 1.48 0.00 0.00 0.00 -1.53 -1.81 119.26 119.05 3aet h ALA 287 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3aet h ALA 287 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3aet h ALA 287 CO -0.11 -0.34 -0.99 0.72 0.00 0.00 0.00 179.25 178.53 3aet n HIS 288 N -3.16 0.00 -0.23 0.00 8.25 -0.36 -4.46 115.22 115.26 3aet n HIS 288 Ca -0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3aet n HIS 288 Cb 0.38 -0.05 0.14 0.00 1.12 0.00 0.00 29.99 31.58 3aet n HIS 288 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3aet h LEU 289 N 0.00 0.31 -0.04 2.41 3.38 -1.40 -1.70 115.31 118.26 3aet h LEU 289 Ca 0.00 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3aet h LEU 289 Cb 0.49 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3aet h LEU 289 CO 0.00 0.16 -0.10 -0.33 0.09 0.00 0.00 178.44 178.26 3aet h GLU 290 N 0.47 -0.09 0.00 1.13 4.39 -1.78 0.10 114.58 118.81 3aet h GLU 290 Ca 0.35 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 3aet h GLU 290 Cb 0.45 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3aet h GLU 290 CO -0.33 -0.06 -0.16 1.15 -1.16 0.00 0.00 179.01 178.45 3aet h THR 291 N -0.09 1.04 0.00 1.13 2.02 -1.83 -3.32 112.91 111.86 3aet h THR 291 Ca 0.01 -0.58 -0.20 0.00 0.77 0.00 0.00 66.41 66.41 3aet h THR 291 Cb 0.11 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3aet h THR 291 CO -0.09 0.16 -1.82 0.18 0.37 0.00 0.00 175.52 174.33 3aet n LEU 292 N -4.23 0.45 -4.72 2.58 4.32 -0.65 -4.84 117.00 109.91 3aet n LEU 292 Ca -0.02 0.20 -0.42 0.00 -0.02 0.00 0.00 56.01 55.75 3aet n LEU 292 Cb 0.23 0.19 -0.03 0.00 -1.62 0.00 0.00 43.42 42.19 3aet n LEU 292 CO 0.35 0.23 0.93 -0.89 -1.22 0.00 0.00 177.39 176.80 3aet s THR 293 N -2.89 3.78 0.00 -5.08 2.01 0.30 -2.84 115.64 110.91 3aet s THR 293 Ca -0.06 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.24 3aet s THR 293 Cb 0.09 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.77 3aet s THR 293 CO 0.84 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 175.49 3aet n GLY 294 N 3.16 1.43 3.75 4.40 0.00 0.19 -4.97 105.19 113.15 3aet n GLY 294 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3aet n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aet s LYS 295 N -0.77 4.79 -0.06 1.61 -0.14 -1.13 -4.61 119.74 119.43 3aet s LYS 295 Ca 0.00 1.56 -0.18 0.00 -1.36 0.00 0.00 55.97 55.99 3aet s LYS 295 Cb 0.00 -3.27 -0.05 0.00 -1.68 0.00 0.00 37.83 32.83 3aet s LYS 295 CO 0.00 0.41 0.49 -1.54 -0.76 0.00 0.00 175.35 173.94 3aet s SER 296 N -0.94 6.79 -0.12 2.83 1.04 -1.26 -0.15 113.70 121.89 3aet s SER 296 Ca 0.43 0.94 -0.00 0.00 0.48 0.00 0.00 55.95 57.80 3aet s SER 296 Cb -0.27 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 3aet s SER 296 CO 0.34 0.11 -0.12 -0.22 0.98 0.00 0.00 173.24 174.33 3aet s LEU 297 N -0.03 2.79 -0.08 2.42 2.96 0.91 -1.50 118.68 126.14 3aet s LEU 297 Ca 0.26 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3aet s LEU 297 Cb -0.16 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 3aet s LEU 297 CO 0.13 0.19 -0.22 0.12 -1.32 0.00 0.00 176.35 175.24 3aet s PHE 298 N 0.21 2.35 -0.17 5.38 5.36 -0.79 -0.83 117.98 129.49 3aet s PHE 298 Ca -0.08 -0.89 0.00 0.00 -0.96 0.00 0.00 56.93 55.00 3aet s PHE 298 Cb -0.15 -1.58 0.04 0.00 -0.34 0.00 0.00 43.02 40.99 3aet s PHE 298 CO 0.05 -0.35 -0.08 -1.64 -1.46 0.00 0.00 175.22 171.74 3aet s MET 299 N 0.26 1.69 0.85 10.12 -1.94 0.09 -0.55 119.30 129.83 3aet s MET 299 Ca -0.15 -0.61 -0.11 0.00 -1.71 0.00 0.00 55.69 53.11 3aet s MET 299 Cb -0.17 -2.13 0.10 0.00 2.01 0.00 0.00 34.83 34.65 3aet s MET 299 CO 0.07 -0.41 1.10 -0.06 -0.01 0.00 0.00 175.02 175.71 3aet s PHE 300 N 1.55 2.27 0.12 -0.03 0.08 -0.66 0.12 117.98 121.44 3aet s PHE 300 Ca 0.01 1.49 -0.30 0.00 0.12 0.00 0.00 56.93 58.25 3aet s PHE 300 Cb -0.15 -3.14 -0.06 0.00 -0.57 0.00 0.00 43.02 39.10 3aet s PHE 300 CO -0.08 -2.25 1.01 -1.25 -0.10 0.00 0.00 175.22 172.55 3aet s PRO 301 N -4.85 4.65 0.00 0.24 0.04 -1.06 -4.56 135.00 129.46 3aet s PRO 301 Ca 0.63 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.21 3aet s PRO 301 Cb -0.19 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.00 3aet s PRO 301 CO 0.57 0.14 0.00 -0.25 0.04 0.00 0.00 177.00 177.50 3aet n ASP 302 N 2.78 0.00 0.00 6.66 8.00 -1.26 -4.82 116.55 127.91 3aet n ASP 302 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3aet n ASP 302 Cb 0.48 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3aet n ASP 302 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3aet n SER 303 N -2.45 0.28 0.00 -2.24 3.41 -1.26 -4.48 113.62 106.88 3aet n SER 303 Ca 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 3aet n SER 303 Cb 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3aet n SER 303 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3aet n GLN 304 N -0.58 -0.02 0.00 4.33 6.02 -1.26 -4.74 117.38 121.14 3aet n GLN 304 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 3aet n GLN 304 Cb 0.01 -3.24 0.41 0.00 1.02 0.00 0.00 30.24 28.44 3aet n GLN 304 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3aet n LEU 305 N 0.00 0.33 -0.03 1.08 4.77 -1.26 -4.37 117.00 117.53 3aet n LEU 305 Ca 0.00 0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 3aet n LEU 305 Cb 0.00 -0.33 0.23 0.00 -2.33 0.00 0.00 43.42 40.99 3aet n LEU 305 CO 0.00 0.08 0.85 1.05 -1.33 0.00 0.00 177.39 178.04 3aet h GLU 306 N 0.07 0.59 0.81 3.23 9.09 -1.88 -2.11 114.58 124.37 3aet h GLU 306 Ca 0.00 -0.16 -0.04 0.00 0.05 0.00 0.00 59.36 59.21 3aet h GLU 306 Cb 0.49 -0.06 0.01 0.00 -1.65 0.00 0.00 28.75 27.53 3aet h GLU 306 CO 0.00 0.67 -0.39 0.82 0.05 0.00 0.00 179.01 180.16 3aet h ILE 307 N 0.54 0.06 0.00 -1.06 2.04 -1.91 -0.27 117.51 116.91 3aet h ILE 307 Ca 0.10 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 3aet h ILE 307 Cb 0.48 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3aet h ILE 307 CO 0.03 0.01 -0.27 -0.65 0.00 0.00 0.00 178.15 177.27 3aet h PRO 308 N -1.25 0.00 -0.27 2.37 0.11 -1.83 0.21 132.00 131.34 3aet h PRO 308 Ca -0.11 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.85 3aet h PRO 308 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3aet h PRO 308 CO 0.18 0.27 -0.41 -0.07 -0.21 0.00 0.00 178.00 177.75 3aet h LEU 309 N 0.00 0.83 -1.33 2.35 3.38 -1.42 -1.36 115.31 117.76 3aet h LEU 309 Ca -0.00 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 3aet h LEU 309 Cb 0.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3aet h LEU 309 CO 0.03 1.18 -0.02 0.00 0.09 0.00 0.00 178.44 179.72 3aet h ALA 310 N 0.67 1.45 -0.44 1.53 0.00 -0.18 -0.33 119.26 121.96 3aet h ALA 310 Ca 0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3aet h ALA 310 Cb 1.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3aet h ALA 310 CO 0.10 0.39 -0.06 -0.09 0.00 0.00 0.00 179.25 179.58 3aet h ARG 311 N 0.40 0.76 -0.05 0.00 1.12 -0.34 -1.33 114.38 114.94 3aet h ARG 311 Ca 0.09 -0.23 -0.21 0.00 -1.11 0.00 0.00 59.98 58.52 3aet h ARG 311 Cb 0.31 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 3aet h ARG 311 CO 0.01 0.81 -0.83 0.35 -3.11 0.00 0.00 179.97 177.20 3aet h PHE 312 N 0.70 0.66 -0.26 2.20 3.57 -0.92 -2.84 116.94 120.05 3aet h PHE 312 Ca 0.13 -0.32 -0.19 0.00 3.53 0.00 0.00 57.97 61.12 3aet h PHE 312 Cb 0.51 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3aet h PHE 312 CO 0.03 1.11 -0.60 -0.07 -2.23 0.00 0.00 178.31 176.55 3aet h LEU 313 N 0.30 0.96 -0.01 0.59 3.38 -0.87 -1.47 115.31 118.18 3aet h LEU 313 Ca -0.06 -0.54 -0.20 0.00 0.09 0.00 0.00 57.88 57.18 3aet h LEU 313 Cb 1.44 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 41.93 3aet h LEU 313 CO 0.15 1.34 -0.76 0.00 0.09 0.00 0.00 178.44 179.25 3aet h ALA 314 N 0.67 0.11 0.06 1.53 0.00 -1.36 -2.04 119.26 118.22 3aet h ALA 314 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 3aet h ALA 314 Cb 1.21 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.05 3aet h ALA 314 CO 0.13 0.48 -0.50 0.00 0.00 0.00 0.00 179.25 179.36 3aet h ARG 315 N 0.11 0.23 -0.00 0.00 3.08 -1.56 -1.54 114.38 114.70 3aet h ARG 315 Ca -0.09 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3aet h ARG 315 Cb 1.45 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.61 3aet h ARG 315 CO 0.15 1.10 -0.82 0.39 -1.07 0.00 0.00 179.97 179.73 3aet n GLU 316 N -4.32 0.56 0.00 0.04 1.02 -0.56 -4.38 120.64 113.01 3aet n GLU 316 Ca -0.12 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 3aet n GLU 316 Cb 0.66 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 3aet n GLU 316 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3aet n GLY 318 N 1.94 0.48 3.93 0.00 0.00 -0.58 -3.38 105.19 107.58 3aet n GLY 318 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 3aet n GLY 318 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3aet s MET 319 N -5.40 3.28 -0.26 1.61 -1.94 -0.91 0.53 119.30 116.21 3aet s MET 319 Ca 0.18 -0.12 -0.06 0.00 -1.71 0.00 0.00 55.69 53.98 3aet s MET 319 Cb -0.08 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 3aet s MET 319 CO 0.23 -0.25 0.03 0.15 -0.01 0.00 0.00 175.02 175.16 3aet s LYS 320 N -4.66 3.32 -0.12 2.03 -0.14 0.78 -4.34 119.74 116.61 3aet s LYS 320 Ca 0.47 -0.68 -0.29 0.00 -1.36 0.00 0.00 55.97 54.11 3aet s LYS 320 Cb -0.10 -3.22 -0.01 0.00 -1.68 0.00 0.00 37.83 32.82 3aet s LYS 320 CO 0.41 -0.29 1.00 0.95 -0.76 0.00 0.00 175.35 176.67 3aet s THR 321 N 1.51 4.78 0.00 2.17 -4.23 -1.26 -0.06 115.64 118.54 3aet s THR 321 Ca 0.05 2.03 0.00 0.00 -1.18 0.00 0.00 61.69 62.58 3aet s THR 321 Cb -0.16 -4.31 0.00 0.00 1.34 0.00 0.00 72.50 69.38 3aet s THR 321 CO 0.00 -0.02 0.00 0.41 -0.54 0.00 0.00 174.62 174.48 3aet n THR 322 N 4.65 0.00 -3.95 3.99 -1.04 -0.01 -4.65 114.28 113.26 3aet n THR 322 Ca 0.09 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.75 3aet n THR 322 Cb 0.48 -0.15 -0.14 0.00 -1.82 0.00 0.00 70.33 68.70 3aet n THR 322 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3aet s GLU 323 N 0.29 3.01 -0.21 -2.82 2.12 -1.24 -2.88 118.70 116.97 3aet s GLU 323 Ca 0.00 -0.86 -0.08 0.00 0.36 0.00 0.00 54.97 54.39 3aet s GLU 323 Cb 0.00 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 3aet s GLU 323 CO 0.00 -0.32 0.08 0.42 -0.54 0.00 0.00 175.26 174.90 3aet s ILE 324 N 1.37 4.75 -0.06 -3.70 1.09 -0.83 -0.73 121.20 123.10 3aet s ILE 324 Ca 0.02 -0.04 0.03 0.00 -1.10 0.00 0.00 60.65 59.56 3aet s ILE 324 Cb -0.16 -3.18 0.01 0.00 -1.06 0.00 0.00 42.46 38.07 3aet s ILE 324 CO -0.05 0.40 -0.13 0.00 -0.10 0.00 0.00 174.94 175.06 3aet s ALA 325 N 0.88 1.28 0.09 9.38 0.00 0.12 -2.20 121.76 131.30 3aet s ALA 325 Ca 0.04 -0.46 0.08 0.00 0.00 0.00 0.00 51.96 51.62 3aet s ALA 325 Cb -0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3aet s ALA 325 CO 0.03 0.15 -0.21 -0.08 0.00 0.00 0.00 175.76 175.65 3aet s THR 326 N 0.51 1.68 0.25 0.00 -1.32 0.43 -2.56 115.64 114.64 3aet s THR 326 Ca -0.12 -1.44 0.14 0.00 -1.21 0.00 0.00 61.69 59.06 3aet s THR 326 Cb -0.14 -1.51 0.06 0.00 -1.51 0.00 0.00 72.50 69.39 3aet s THR 326 CO 0.03 0.01 1.70 1.55 -2.21 0.00 0.00 174.62 175.70 3aet h PRO 327 N 4.30 0.00 -3.12 7.08 0.13 -1.86 0.50 132.00 139.04 3aet h PRO 327 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 3aet h PRO 327 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 3aet h PRO 327 CO 0.41 0.48 -0.26 0.12 -0.23 0.00 0.00 178.00 178.52 3aet s PHE 328 N -3.72 -0.16 -0.44 1.56 5.36 -1.26 -3.68 117.98 115.65 3aet s PHE 328 Ca -0.01 0.16 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 3aet s PHE 328 Cb 0.12 0.10 0.15 0.00 -0.34 0.00 0.00 43.02 43.05 3aet s PHE 328 CO 0.72 -0.44 0.29 -1.17 -1.46 0.00 0.00 175.22 173.17 3aet s LEU 329 N -1.60 2.17 -0.51 6.12 2.96 -1.26 -4.87 118.68 121.69 3aet s LEU 329 Ca -0.10 -2.77 -0.27 0.00 -0.22 0.00 0.00 54.13 50.77 3aet s LEU 329 Cb -0.04 -0.79 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 3aet s LEU 329 CO 0.02 -0.23 1.78 -2.28 -1.32 0.00 0.00 176.35 174.31 3aet s HIS 330 N 0.25 1.80 0.14 5.38 5.65 -1.26 -4.87 115.29 122.39 3aet s HIS 330 Ca 0.22 0.71 -0.18 0.00 0.25 0.00 0.00 55.06 56.07 3aet s HIS 330 Cb -0.14 -4.14 0.01 0.00 -1.18 0.00 0.00 32.58 27.12 3aet s HIS 330 CO -0.07 -2.45 1.75 0.87 -0.65 0.00 0.00 174.74 174.19 3aet h LYS 331 N 13.77 0.22 -0.27 2.88 1.79 -1.97 0.96 116.57 133.95 3aet h LYS 331 Ca -0.28 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.11 3aet h LYS 331 Cb 1.16 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 3aet h LYS 331 CO 1.15 0.15 -0.07 0.00 -1.08 0.00 0.00 179.45 179.60 3aet h ALA 332 N 1.17 0.37 -0.15 3.86 0.00 -2.01 -2.92 119.26 119.58 3aet h ALA 332 Ca 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3aet h ALA 332 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3aet h ALA 332 CO -0.12 0.19 -0.04 0.82 0.00 0.00 0.00 179.25 180.10 3aet h ILE 333 N 0.27 1.29 0.00 0.00 2.04 -1.92 -3.02 117.51 116.18 3aet h ILE 333 Ca 0.07 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3aet h ILE 333 Cb 0.55 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3aet h ILE 333 CO 0.03 0.29 0.00 0.23 0.00 0.00 0.00 178.15 178.70 3aet n MET 334 N -4.69 0.53 0.11 2.37 2.81 0.31 -4.23 117.12 114.33 3aet n MET 334 Ca -0.05 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.71 3aet n MET 334 Cb 0.26 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 31.24 3aet n MET 334 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3aet h ALA 335 N 3.00 -0.25 -0.62 3.04 0.00 -1.38 -1.83 119.26 121.23 3aet h ALA 335 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3aet h ALA 335 Cb 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3aet h ALA 335 CO 0.00 -0.66 0.26 -1.35 0.00 0.00 0.00 179.25 177.50 3aet h PRO 336 N -0.28 0.44 -0.27 0.00 0.11 -1.84 -0.97 132.00 129.20 3aet h PRO 336 Ca -0.00 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.92 3aet h PRO 336 Cb 0.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3aet h PRO 336 CO -0.02 0.29 -0.47 -0.44 -0.21 0.00 0.00 178.00 177.15 3aet h ASP 337 N 0.46 0.78 -0.36 -2.05 5.19 -1.83 -2.60 116.42 116.01 3aet h ASP 337 Ca 0.31 -0.39 0.01 0.00 -0.62 0.00 0.00 57.03 56.33 3aet h ASP 337 Cb 0.35 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 3aet h ASP 337 CO -0.28 1.13 0.24 -0.07 -3.12 0.00 0.00 179.24 177.14 3aet h LEU 338 N 0.57 0.41 -1.42 1.55 3.38 -1.05 -0.47 115.31 118.28 3aet h LEU 338 Ca 0.03 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3aet h LEU 338 Cb 1.03 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3aet h LEU 338 CO 0.10 0.30 0.44 0.00 0.09 0.00 0.00 178.44 179.37 3aet h ALA 339 N 1.78 1.71 -0.00 1.53 0.00 -0.78 0.16 119.26 123.65 3aet h ALA 339 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3aet h ALA 339 Cb -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3aet h ALA 339 CO -0.03 0.20 -0.77 1.28 0.00 0.00 0.00 179.25 179.93 3aet n LEU 340 N -4.47 0.98 -4.74 0.00 4.77 -0.30 -3.43 117.00 109.81 3aet n LEU 340 Ca 0.09 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.28 3aet n LEU 340 Cb 0.19 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3aet n LEU 340 CO 0.34 0.23 0.76 -0.22 -1.33 0.00 0.00 177.39 177.17 3aet s LEU 341 N -2.92 4.51 0.35 2.23 0.20 -0.50 -4.62 118.68 117.93 3aet s LEU 341 Ca 0.11 2.05 -0.25 0.00 0.69 0.00 0.00 54.13 56.72 3aet s LEU 341 Cb 0.17 -3.60 -0.13 0.00 -0.43 0.00 0.00 46.19 42.19 3aet s LEU 341 CO 0.77 -0.15 0.80 -2.65 -0.29 0.00 0.00 176.35 174.83 3aet n PRO 342 N 2.23 0.94 -0.00 0.98 -0.02 -1.26 -1.26 135.00 136.61 3aet n PRO 342 Ca 0.02 0.33 -0.06 0.00 -2.02 0.00 0.00 63.50 61.77 3aet n PRO 342 Cb 0.47 -1.68 0.13 0.00 -0.02 0.00 0.00 33.50 32.40 3aet n PRO 342 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3aet h SER 343 N 1.40 0.56 0.00 2.55 4.64 -1.64 -3.26 113.55 117.81 3aet h SER 343 Ca -0.39 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 3aet h SER 343 Cb 1.37 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3aet h SER 343 CO 0.56 0.87 0.00 -0.46 -0.87 0.00 0.00 176.83 176.93 3aet n ASN 344 N -4.06 0.25 -4.49 4.97 6.94 -1.26 -4.80 115.26 112.80 3aet n ASN 344 Ca -0.01 -0.66 -0.38 0.00 -0.02 0.00 0.00 54.58 53.51 3aet n ASN 344 Cb 0.48 -0.12 -0.12 0.00 -2.36 0.00 0.00 39.78 37.66 3aet n ASN 344 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3aet s THR 345 N -1.25 4.70 -0.07 5.53 2.01 -1.23 -4.89 115.64 120.44 3aet s THR 345 Ca 0.00 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 3aet s THR 345 Cb 0.00 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 3aet s THR 345 CO 0.00 0.24 1.12 0.00 -0.69 0.00 0.00 174.62 175.29 3aet s ALA 346 N 1.66 3.45 -0.07 7.40 0.00 -1.14 -4.96 121.76 128.09 3aet s ALA 346 Ca 0.06 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 3aet s ALA 346 Cb -0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3aet s ALA 346 CO 0.07 -0.67 0.08 -0.51 0.00 0.00 0.00 175.76 174.73 3aet s LEU 347 N 2.05 4.00 -0.09 0.00 1.43 -1.26 -1.96 118.68 122.86 3aet s LEU 347 Ca 0.53 0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3aet s LEU 347 Cb -0.22 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.93 3aet s LEU 347 CO 0.21 0.35 -0.05 -0.89 0.23 0.00 0.00 176.35 176.20 3aet s THR 348 N -1.06 0.74 -0.17 5.49 2.01 -0.94 -0.53 115.64 121.20 3aet s THR 348 Ca 0.18 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.90 3aet s THR 348 Cb -0.12 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3aet s THR 348 CO 0.08 0.31 0.35 -0.70 -0.69 0.00 0.00 174.62 173.97 3aet s GLU 349 N 1.67 4.24 2.64 4.92 2.12 0.30 -0.43 118.70 134.17 3aet s GLU 349 Ca 0.02 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.52 3aet s GLU 349 Cb -0.13 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.80 3aet s GLU 349 CO -0.06 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 3aet n GLY 350 N 3.56 -0.71 3.62 -1.50 0.00 0.17 -0.39 105.19 109.94 3aet n GLY 350 Ca -0.10 -1.15 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 3aet n GLY 350 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3aet s GLN 351 N 0.00 0.29 -0.58 1.61 -2.07 -1.05 -4.67 119.66 113.20 3aet s GLN 351 Ca 0.00 0.10 0.04 0.00 -1.82 0.00 0.00 55.36 53.68 3aet s GLN 351 Cb 0.00 0.14 0.14 0.00 -1.09 0.00 0.00 33.01 32.20 3aet s GLN 351 CO 0.00 -0.08 0.34 0.34 -1.32 0.00 0.00 175.29 174.57 3aet s ASP 352 N -0.90 4.54 0.11 12.60 -1.08 -1.24 -2.88 116.67 127.82 3aet s ASP 352 Ca 0.04 -3.22 -0.16 0.00 -0.52 0.00 0.00 52.55 48.69 3aet s ASP 352 Cb -0.01 -1.66 0.03 0.00 -1.46 0.00 0.00 42.92 39.81 3aet s ASP 352 CO -0.05 -0.20 0.92 -0.11 0.52 0.00 0.00 175.17 176.25 3aet n LEU 353 N 2.84 -0.54 -0.16 -1.34 7.94 0.52 -0.21 117.00 126.04 3aet n LEU 353 Ca 0.09 1.05 -0.06 0.00 -1.11 0.00 0.00 56.01 55.98 3aet n LEU 353 Cb 0.33 -0.17 0.03 0.00 0.53 0.00 0.00 43.42 44.14 3aet n LEU 353 CO 0.32 -0.89 1.05 -0.33 -1.11 0.00 0.00 177.39 176.44 3aet h GLU 354 N 0.00 0.57 -0.25 1.96 4.39 -1.96 0.28 114.58 119.58 3aet h GLU 354 Ca 0.14 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.86 3aet h GLU 354 Cb 0.28 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 3aet h GLU 354 CO -0.57 0.38 -0.13 0.00 -1.16 0.00 0.00 179.01 177.53 3aet h ALA 355 N 1.21 0.07 0.21 3.43 0.00 -1.01 -0.43 119.26 122.74 3aet h ALA 355 Ca 0.19 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3aet h ALA 355 Cb -0.00 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3aet h ALA 355 CO -0.08 -0.54 -0.21 0.37 0.00 0.00 0.00 179.25 178.80 3aet h GLN 356 N -0.10 -0.43 -0.55 0.00 4.15 -0.53 0.18 115.11 117.83 3aet h GLN 356 Ca 0.13 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.70 3aet h GLN 356 Cb 0.30 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 3aet h GLN 356 CO -0.31 -0.29 0.38 -0.07 -1.93 0.00 0.00 178.83 176.61 3aet h LEU 357 N -0.45 0.19 -0.14 -2.39 3.38 -0.40 -0.51 115.31 115.00 3aet h LEU 357 Ca -0.00 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 3aet h LEU 357 Cb 0.42 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3aet h LEU 357 CO -0.05 0.11 -0.98 0.44 0.09 0.00 0.00 178.44 178.05 3aet h ASP 358 N 0.21 0.26 -0.28 -0.43 5.19 -0.42 -2.10 116.42 118.85 3aet h ASP 358 Ca 0.26 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 3aet h ASP 358 Cb 0.74 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 3aet h ASP 358 CO -0.05 1.09 0.12 0.03 -3.12 0.00 0.00 179.24 177.31 3aet h ARG 359 N 0.09 0.41 -0.10 3.56 3.08 0.70 -3.23 114.38 118.89 3aet h ARG 359 Ca -0.06 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.79 3aet h ARG 359 Cb 1.66 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 3aet h ARG 359 CO 0.15 0.43 -0.53 1.25 -1.07 0.00 0.00 179.97 180.20 3aet h HIS 360 N 0.30 0.35 0.63 3.04 2.76 -1.18 -1.53 115.15 119.52 3aet h HIS 360 Ca 0.09 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3aet h HIS 360 Cb 0.16 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3aet h HIS 360 CO -0.01 0.75 -0.47 1.49 -1.30 0.00 0.00 177.93 178.39 3aet h GLU 361 N 0.22 -1.02 0.00 5.26 4.81 -1.40 0.74 114.58 123.18 3aet h GLU 361 Ca 0.01 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3aet h GLU 361 Cb 1.00 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3aet h GLU 361 CO 0.08 -0.68 0.00 0.00 -0.73 0.00 0.00 179.01 177.68 3aet n ALA 362 N -2.73 1.91 0.00 2.92 0.00 -1.22 -2.64 120.51 118.75 3aet n ALA 362 Ca -0.13 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 3aet n ALA 362 Cb 0.46 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 3aet n ALA 362 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3aet h ILE 363 N 0.00 1.50 -6.00 0.00 2.04 -0.90 -3.50 117.51 110.65 3aet h ILE 363 Ca 0.00 -2.15 -0.22 0.00 1.00 0.00 0.00 64.86 63.49 3aet h ILE 363 Cb 0.42 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 3aet h ILE 363 CO 0.00 0.61 -0.58 -3.20 0.00 0.00 0.00 178.15 174.98 3aet n ASN 364 N -4.30 -6.48 -4.89 1.72 5.15 0.22 -5.00 115.26 101.67 3aet n ASN 364 Ca -0.11 -0.36 -0.29 0.00 -0.60 0.00 0.00 54.58 53.21 3aet n ASN 364 Cb 0.65 -3.60 0.06 0.00 -0.53 0.00 0.00 39.78 36.35 3aet n ASN 364 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3aet s PRO 365 N -3.66 2.57 -0.02 1.20 0.04 -1.26 -5.01 135.00 128.86 3aet s PRO 365 Ca 0.06 0.31 -0.10 0.00 0.04 0.00 0.00 61.00 61.30 3aet s PRO 365 Cb -0.01 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 3aet s PRO 365 CO 0.82 -1.19 0.62 -0.44 0.04 0.00 0.00 177.00 176.85 3aet h ASP 366 N -0.75 -0.32 -3.41 6.66 3.32 -1.65 -3.45 116.42 116.82 3aet h ASP 366 Ca -0.45 0.01 -0.67 0.00 0.02 0.00 0.00 57.03 55.94 3aet h ASP 366 Cb 1.28 0.08 -0.14 0.00 0.22 0.00 0.00 39.33 40.77 3aet h ASP 366 CO 0.64 -0.07 -0.66 -0.22 -1.72 0.00 0.00 179.24 177.22 3aet s LEU 367 N -7.10 3.44 -0.14 1.55 2.96 -0.57 -3.48 118.68 115.35 3aet s LEU 367 Ca -0.06 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3aet s LEU 367 Cb 0.01 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.77 3aet s LEU 367 CO 0.17 0.28 0.04 -0.89 -1.32 0.00 0.00 176.35 174.62 3aet s THR 368 N -1.07 0.32 -0.22 3.68 2.01 -0.56 -1.89 115.64 117.92 3aet s THR 368 Ca 0.19 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 3aet s THR 368 Cb -0.11 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3aet s THR 368 CO 0.10 -0.04 0.40 -0.69 -0.69 0.00 0.00 174.62 173.70 3aet s VAL 369 N 1.97 5.19 0.26 3.82 1.01 0.29 -1.30 120.40 131.63 3aet s VAL 369 Ca 0.02 0.69 -0.21 0.00 0.00 0.00 0.00 61.98 62.47 3aet s VAL 369 Cb -0.15 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.54 3aet s VAL 369 CO -0.07 0.22 0.81 0.00 0.00 0.00 0.00 175.10 176.07 3aet s GLY 371 N -2.97 1.65 0.51 0.00 0.00 -1.26 -0.22 107.32 105.01 3aet s GLY 371 Ca 0.13 0.02 0.28 0.00 0.00 0.00 0.00 44.72 45.14 3aet s GLY 371 CO 0.06 0.40 2.01 1.41 0.00 0.00 0.00 173.10 176.98 3aet h LEU 372 N -1.09 0.00 -0.08 0.66 4.07 -1.98 -1.57 115.31 115.31 3aet h LEU 372 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3aet h LEU 372 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3aet h LEU 372 CO 0.56 0.14 -0.10 0.61 -1.08 0.00 0.00 178.44 178.57 3aet n GLY 373 N -0.41 -1.22 0.10 0.83 0.00 -1.26 -3.62 105.19 99.61 3aet n GLY 373 Ca -0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3aet n GLY 373 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3aet n LEU 374 N -1.26 2.72 0.03 0.99 4.32 -0.80 -4.78 117.00 118.23 3aet n LEU 374 Ca 0.11 -0.10 -0.12 0.00 -0.02 0.00 0.00 56.01 55.89 3aet n LEU 374 Cb 0.29 -0.59 -0.05 0.00 -1.62 0.00 0.00 43.42 41.45 3aet n LEU 374 CO 0.26 0.79 0.63 0.00 -1.22 0.00 0.00 177.39 177.84 3aet h ALA 375 N 0.07 -0.48 0.47 -1.18 0.00 -1.38 -1.81 119.26 114.94 3aet h ALA 375 Ca -0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3aet h ALA 375 Cb 1.70 0.65 0.00 0.00 0.00 0.00 0.00 17.79 20.15 3aet h ALA 375 CO -0.06 -0.86 -0.22 -0.91 0.00 0.00 0.00 179.25 177.20 3aet h ASN 376 N -0.46 -0.53 -1.06 0.00 -0.26 -1.88 0.44 115.58 111.82 3aet h ASN 376 Ca 0.08 0.00 0.41 0.00 -0.56 0.00 0.00 56.30 56.23 3aet h ASN 376 Cb 0.58 0.14 -0.17 0.00 -1.06 0.00 0.00 38.32 37.81 3aet h ASN 376 CO -0.33 -0.36 0.60 -0.65 -1.06 0.00 0.00 177.43 175.63 3aet h PRO 377 N -0.66 0.06 0.00 0.81 0.11 -1.82 0.27 132.00 130.78 3aet h PRO 377 Ca -0.06 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.85 3aet h PRO 377 Cb 0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.56 3aet h PRO 377 CO 0.11 0.04 -0.90 -0.07 -0.21 0.00 0.00 178.00 176.96 3aet h LEU 378 N 0.07 0.00 -0.26 2.35 4.07 -0.66 -3.17 115.31 117.70 3aet h LEU 378 Ca 0.83 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 58.58 3aet h LEU 378 Cb 2.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.97 3aet h LEU 378 CO -0.69 0.90 -0.79 -0.33 -1.08 0.00 0.00 178.44 176.46 3aet h GLU 379 N 0.00 0.57 0.00 1.13 4.39 0.16 -2.45 114.58 118.38 3aet h GLU 379 Ca -0.01 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 3aet h GLU 379 Cb 1.65 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 30.41 3aet h GLU 379 CO 0.12 1.11 -0.06 0.00 -1.16 0.00 0.00 179.01 179.02 3aet h ALA 380 N 0.74 1.09 -0.00 3.43 0.00 -0.79 -2.19 119.26 121.55 3aet h ALA 380 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3aet h ALA 380 Cb 1.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3aet h ALA 380 CO 0.15 0.07 -0.33 1.63 0.00 0.00 0.00 179.25 180.77 3aet n LYS 381 N -3.29 0.28 0.00 0.00 4.76 -1.11 -4.95 118.16 113.85 3aet n LYS 381 Ca -0.01 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 3aet n LYS 381 Cb 0.24 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 3aet n LYS 381 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3aet n GLY 382 N 1.43 0.38 3.74 0.72 0.00 -0.82 -5.08 105.19 105.56 3aet n GLY 382 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3aet n GLY 382 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3aet s HIS 383 N -2.00 3.83 0.34 1.61 3.76 -0.94 -5.02 115.29 116.87 3aet s HIS 383 Ca 0.00 1.71 -0.25 0.00 -0.15 0.00 0.00 55.06 56.37 3aet s HIS 383 Cb 0.00 -2.94 -0.10 0.00 1.11 0.00 0.00 32.58 30.65 3aet s HIS 383 CO 0.00 0.30 0.93 0.00 -0.85 0.00 0.00 174.74 175.12 3aet s ALA 384 N -0.32 3.19 0.12 -1.40 0.00 -1.23 -3.69 121.76 118.43 3aet s ALA 384 Ca 0.42 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.92 3aet s ALA 384 Cb -0.23 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3aet s ALA 384 CO 0.28 0.18 -0.15 0.95 0.00 0.00 0.00 175.76 177.01 3aet s THR 385 N -1.72 1.43 -0.32 0.00 -4.23 -1.26 -1.49 115.64 108.05 3aet s THR 385 Ca 0.52 -1.69 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 3aet s THR 385 Cb -0.17 -1.54 0.11 0.00 1.34 0.00 0.00 72.50 72.25 3aet s THR 385 CO 0.22 -0.34 0.15 -0.75 -0.54 0.00 0.00 174.62 173.35 3aet s LYS 386 N -2.51 0.44 0.35 3.99 2.36 -0.42 -4.83 119.74 119.11 3aet s LYS 386 Ca 0.09 -0.92 -0.29 0.00 -2.55 0.00 0.00 55.97 52.30 3aet s LYS 386 Cb -0.06 -1.43 -0.11 0.00 -1.05 0.00 0.00 37.83 35.18 3aet s LYS 386 CO 0.04 -1.07 1.54 1.67 1.55 0.00 0.00 175.35 179.08 3aet s TRP 387 N 1.66 2.63 0.05 4.03 1.48 -1.26 -2.96 118.94 124.56 3aet s TRP 387 Ca 0.12 1.00 -0.00 0.00 -1.06 0.00 0.00 56.10 56.15 3aet s TRP 387 Cb -0.18 -4.06 -0.26 0.00 -1.16 0.00 0.00 33.47 27.80 3aet s TRP 387 CO -0.23 -3.30 1.02 0.00 -4.06 0.00 0.00 176.95 170.38 3aet h ALA 388 N 3.73 0.27 -0.69 2.67 0.00 -0.95 -3.36 119.26 120.93 3aet h ALA 388 Ca -0.49 -1.02 0.15 0.00 0.00 0.00 0.00 54.91 53.54 3aet h ALA 388 Cb 1.23 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 3aet h ALA 388 CO 0.70 1.15 0.11 0.82 0.00 0.00 0.00 179.25 182.03 3aet h ILE 389 N 0.05 0.50 -0.72 0.00 5.03 -1.91 0.69 117.51 121.16 3aet h ILE 389 Ca -0.16 -0.07 0.25 0.00 -0.12 0.00 0.00 64.86 64.76 3aet h ILE 389 Cb 1.95 0.28 -0.13 0.00 -3.03 0.00 0.00 36.82 35.88 3aet h ILE 389 CO 0.16 0.04 0.20 1.21 -0.68 0.00 0.00 178.15 179.08 3aet n GLU 390 N -5.21 -0.05 0.05 2.37 2.13 -1.26 -1.16 120.64 117.51 3aet n GLU 390 Ca 0.12 1.03 0.10 0.00 0.66 0.00 0.00 57.16 59.07 3aet n GLU 390 Cb 0.42 -1.75 0.41 0.00 0.27 0.00 0.00 31.44 30.79 3aet n GLU 390 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3aet n LEU 391 N -4.80 0.27 -0.01 4.31 4.77 0.24 -1.11 117.00 120.67 3aet n LEU 391 Ca 0.22 0.56 -0.06 0.00 -0.03 0.00 0.00 56.01 56.70 3aet n LEU 391 Cb 0.74 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3aet n LEU 391 CO -0.02 -0.31 0.19 0.58 -1.33 0.00 0.00 177.39 176.49 3aet h VAL 392 N 0.00 0.58 0.08 4.08 2.07 -1.31 -3.42 116.25 118.33 3aet h VAL 392 Ca 0.00 -1.29 -0.25 0.00 0.82 0.00 0.00 66.70 65.97 3aet h VAL 392 Cb 0.35 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3aet h VAL 392 CO 0.00 0.18 -1.18 2.19 0.02 0.00 0.00 177.57 178.78 3aet h PHE 393 N -0.99 0.30 -4.01 1.57 -5.15 -1.59 -3.45 116.94 103.63 3aet h PHE 393 Ca -0.01 -0.22 -0.54 0.00 -0.20 0.00 0.00 57.97 57.00 3aet h PHE 393 Cb 0.38 -0.01 0.11 0.00 0.22 0.00 0.00 35.95 36.64 3aet h PHE 393 CO 0.08 1.18 0.61 0.99 -2.00 0.00 0.00 178.31 179.17 3aet s THR 394 N -2.67 2.37 -0.07 0.88 2.01 -0.26 -4.85 115.64 113.04 3aet s THR 394 Ca -0.02 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 3aet s THR 394 Cb 0.08 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 3aet s THR 394 CO 0.86 0.02 1.37 -2.84 -0.69 0.00 0.00 174.62 173.34 3aet s PRO 395 N -2.63 4.26 0.00 4.92 0.02 -1.26 -4.80 135.00 135.51 3aet s PRO 395 Ca 0.65 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3aet s PRO 395 Cb -0.39 -3.70 0.00 0.00 0.02 0.00 0.00 34.50 30.43 3aet s PRO 395 CO 0.48 -0.64 0.00 1.33 -0.33 0.00 0.00 177.00 177.83 3aet n VAL 396 N 5.02 0.00 -1.64 3.83 0.24 -1.26 -4.80 118.33 119.72 3aet n VAL 396 Ca 0.14 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.34 62.12 3aet n VAL 396 Cb 0.44 0.23 0.08 0.00 -1.47 0.00 0.00 33.84 33.12 3aet n VAL 396 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3aet s HIS 397 N -0.42 2.96 0.17 6.34 3.76 -1.26 -4.57 115.29 122.27 3aet s HIS 397 Ca 0.00 1.13 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 3aet s HIS 397 Cb 0.00 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.58 3aet s HIS 397 CO 0.00 -1.61 0.00 1.19 -0.85 0.00 0.00 174.74 173.47 3aet n PHE 398 N -3.32 -2.78 0.30 1.40 3.01 -1.04 -4.19 117.46 110.85 3aet n PHE 398 Ca 0.07 0.94 -0.12 0.00 1.01 0.00 0.00 57.45 59.34 3aet n PHE 398 Cb 0.56 -1.67 -0.06 0.00 -0.01 0.00 0.00 39.48 38.31 3aet n PHE 398 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 3aet h TYR 399 N -0.70 -0.74 -1.06 1.38 0.05 -1.92 -3.19 116.97 110.79 3aet h TYR 399 Ca 0.02 -0.02 0.31 0.00 0.05 0.00 0.00 58.73 59.08 3aet h TYR 399 Cb 0.69 0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 3aet h TYR 399 CO 0.00 -0.46 0.76 0.93 -1.05 0.00 0.00 178.16 178.34 3aet h GLU 400 N -1.02 0.00 -0.07 4.88 4.39 -1.89 -0.14 114.58 120.73 3aet h GLU 400 Ca -0.08 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3aet h GLU 400 Cb 0.61 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3aet h GLU 400 CO 0.13 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 179.03 3aet n GLN 401 N -4.22 1.99 -0.20 2.33 3.00 -1.22 -4.43 117.38 114.62 3aet n GLN 401 Ca 0.22 -1.45 -0.03 0.00 -0.01 0.00 0.00 57.00 55.73 3aet n GLN 401 Cb 1.12 -1.47 0.07 0.00 0.00 0.00 0.00 30.24 29.96 3aet n GLN 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3aet h ALA 402 N 4.47 0.77 0.67 -1.58 0.00 -1.00 0.33 119.26 122.92 3aet h ALA 402 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3aet h ALA 402 Cb 0.72 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3aet h ALA 402 CO 0.00 0.01 -0.32 0.78 0.00 0.00 0.00 179.25 179.71 3aet h GLY 403 N 0.62 -0.94 0.04 0.00 0.00 -1.79 -1.62 103.07 99.39 3aet h GLY 403 Ca 0.26 0.35 0.19 0.00 0.00 0.00 0.00 47.33 48.13 3aet h GLY 403 CO -0.16 -0.34 0.50 -0.55 0.00 0.00 0.00 176.54 176.00 3aet h ASP 404 N -1.01 0.58 0.75 0.19 5.19 -1.76 0.95 116.42 121.32 3aet h ASP 404 Ca -0.09 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3aet h ASP 404 Cb 0.72 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.25 3aet h ASP 404 CO 0.15 0.17 -0.46 0.25 -3.12 0.00 0.00 179.24 176.22 3aet h LEU 405 N 0.61 -1.17 -1.21 1.55 5.85 -0.14 0.26 115.31 121.05 3aet h LEU 405 Ca 0.55 0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.51 3aet h LEU 405 Cb 0.91 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 3aet h LEU 405 CO -0.42 -0.71 0.61 0.00 -0.34 0.00 0.00 178.44 177.57 3aet h ALA 406 N -1.23 1.84 -0.12 1.25 0.00 -0.42 -2.04 119.26 118.53 3aet h ALA 406 Ca -0.10 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3aet h ALA 406 Cb 0.91 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3aet h ALA 406 CO 0.10 -0.14 -0.43 0.78 0.00 0.00 0.00 179.25 179.55 3aet h GLY 407 N 0.68 -1.19 -0.98 0.00 0.00 0.16 -1.14 103.07 100.60 3aet h GLY 407 Ca 0.51 0.69 0.36 0.00 0.00 0.00 0.00 47.33 48.89 3aet h GLY 407 CO -0.27 -0.28 1.14 1.41 0.00 0.00 0.00 176.54 178.54 3aet h LEU 408 N -0.45 0.00 0.00 3.11 4.07 -0.20 0.29 115.31 122.12 3aet h LEU 408 Ca 0.03 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 3aet h LEU 408 Cb 0.53 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 3aet h LEU 408 CO -0.36 0.00 -2.12 0.49 -1.08 0.00 0.00 178.44 175.37 3aet n PHE 409 N -3.61 0.00 -0.03 1.13 3.72 -0.54 -4.42 117.46 113.71 3aet n PHE 409 Ca 0.28 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.54 3aet n PHE 409 Cb 1.53 -0.66 -0.09 0.00 -0.94 0.00 0.00 39.48 39.31 3aet n PHE 409 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3aet h SER 410 N 0.00 0.15 -0.52 4.37 4.64 0.65 -3.38 113.55 119.47 3aet h SER 410 Ca -0.18 -0.54 0.10 0.00 -0.47 0.00 0.00 61.79 60.71 3aet h SER 410 Cb 1.41 -0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 63.35 3aet h SER 410 CO 0.01 0.66 -0.21 -0.09 -0.87 0.00 0.00 176.83 176.33 3aet h ARG 411 N -0.35 -0.08 -0.87 4.77 2.43 -1.55 -0.48 114.38 118.25 3aet h ARG 411 Ca 0.00 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 3aet h ARG 411 Cb 0.63 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.12 3aet h ARG 411 CO 0.02 -0.06 0.51 -1.00 -1.51 0.00 0.00 179.97 177.93 3aet h PRO 412 N -0.09 0.82 -0.22 0.20 0.13 -1.80 0.13 132.00 131.18 3aet h PRO 412 Ca 0.24 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.26 3aet h PRO 412 Cb 0.46 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 3aet h PRO 412 CO -0.58 0.54 -0.13 -0.07 -0.23 0.00 0.00 178.00 177.54 3aet h LEU 413 N 0.85 0.49 -0.62 1.56 3.38 -1.32 -2.13 115.31 117.52 3aet h LEU 413 Ca 0.42 -0.43 0.12 0.00 0.09 0.00 0.00 57.88 58.08 3aet h LEU 413 Cb 0.38 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 40.88 3aet h LEU 413 CO -0.25 0.81 -0.14 0.03 0.09 0.00 0.00 178.44 178.98 3aet h ARG 414 N 0.17 0.01 -0.24 1.13 2.47 -0.84 -0.82 114.38 116.25 3aet h ARG 414 Ca 0.05 -0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.71 3aet h ARG 414 Cb 0.64 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3aet h ARG 414 CO 0.04 0.00 -0.10 -0.09 0.56 0.00 0.00 179.97 180.38 3aet h ARG 415 N 0.01 0.39 0.14 0.04 2.43 -0.58 -2.25 114.38 114.55 3aet h ARG 415 Ca 0.30 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3aet h ARG 415 Cb 0.46 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3aet h ARG 415 CO -0.63 0.50 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.18 3aet h ARG 416 N 0.37 -0.17 0.18 0.20 2.43 -0.48 -1.77 114.38 115.14 3aet h ARG 416 Ca 0.07 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3aet h ARG 416 Cb 0.41 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3aet h ARG 416 CO 0.02 0.17 -0.46 0.00 -1.51 0.00 0.00 179.97 178.18 3aet h ALA 417 N 0.26 -0.99 -1.16 2.80 0.00 -1.46 -2.42 119.26 116.29 3aet h ALA 417 Ca -0.02 -0.11 0.40 0.00 0.00 0.00 0.00 54.91 55.18 3aet h ALA 417 Cb 0.42 0.81 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 3aet h ALA 417 CO 0.03 -1.08 0.71 1.25 0.00 0.00 0.00 179.25 180.16 3aet h LEU 418 N -0.72 0.33 -0.63 0.00 5.85 -1.37 0.26 115.31 119.03 3aet h LEU 418 Ca -0.02 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3aet h LEU 418 Cb 0.69 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3aet h LEU 418 CO -0.21 -0.23 0.00 0.18 -0.34 0.00 0.00 178.44 177.84 3aet n LEU 419 N -4.92 0.81 -2.33 2.25 4.77 -0.67 -3.60 117.00 113.32 3aet n LEU 419 Ca 0.36 -0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 55.91 3aet n LEU 419 Cb 1.29 -0.20 0.08 0.00 -2.33 0.00 0.00 43.42 42.26 3aet n LEU 419 CO 0.13 0.17 0.47 -0.46 -1.33 0.00 0.00 177.39 176.38 3aet n ASN 420 N -0.14 -0.88 0.00 -1.43 0.23 0.88 -5.08 115.26 108.85 3aet n ASN 420 Ca 0.03 -2.14 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 3aet n ASN 420 Cb 0.16 0.42 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 3aet n ASN 420 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94