#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 0.68 0.00 1.09 0.08 -1.26 -3.11 117.98 115.47 3aet s PHE 8 Ca 0.00 -1.70 0.00 0.00 0.12 0.00 0.00 56.93 55.35 3aet s PHE 8 Cb 0.00 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.60 3aet s PHE 8 CO 0.00 -0.85 0.00 0.41 -0.10 0.00 0.00 175.22 174.68 3aet n GLY 9 N 3.79 1.69 0.00 4.36 0.00 -0.77 -4.72 105.19 109.53 3aet n GLY 9 Ca 0.16 0.23 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 2.14 0.90 -0.60 0.00 2.02 -1.92 -2.03 112.91 113.42 3aet h THR 11 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3aet h THR 11 Cb 0.82 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3aet h THR 11 CO 0.00 0.11 0.00 0.47 0.37 0.00 0.00 175.52 176.47 3aet n ASP 12 N -4.50 3.76 -4.76 4.18 8.00 -1.26 -4.96 116.55 117.01 3aet n ASP 12 Ca 0.13 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.23 3aet n ASP 12 Cb 0.38 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.16 6.62 -0.18 -2.24 0.01 -0.77 -4.96 113.70 111.02 3aet s SER 13 Ca 0.45 2.76 -0.29 0.00 1.31 0.00 0.00 55.95 60.17 3aet s SER 13 Cb 0.24 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 3aet s SER 13 CO 0.32 -0.69 1.09 -2.84 0.41 0.00 0.00 173.24 171.53 3aet s PRO 14 N -1.12 4.29 -0.09 12.44 0.02 -1.26 -5.00 135.00 144.28 3aet s PRO 14 Ca 0.55 1.45 -0.27 0.00 0.02 0.00 0.00 61.00 62.75 3aet s PRO 14 Cb -0.42 -3.64 -0.02 0.00 0.02 0.00 0.00 34.50 30.43 3aet s PRO 14 CO 0.50 -0.58 0.90 0.54 -0.33 0.00 0.00 177.00 178.03 3aet s VAL 15 N 2.98 4.88 -0.64 3.83 0.11 -1.26 -4.57 120.40 125.73 3aet s VAL 15 Ca 0.48 1.83 -0.26 0.00 -2.93 0.00 0.00 61.98 61.09 3aet s VAL 15 Cb -0.18 -4.22 -0.04 0.00 -1.53 0.00 0.00 36.38 30.41 3aet s VAL 15 CO 0.11 0.10 2.04 -0.60 -3.33 0.00 0.00 175.10 173.42 3aet s ARG 16 N 1.55 2.42 -0.55 1.54 3.52 0.18 -4.87 118.95 122.73 3aet s ARG 16 Ca 0.45 0.66 -0.28 0.00 -0.13 0.00 0.00 55.73 56.43 3aet s ARG 16 Cb -0.18 -4.56 0.00 0.00 -1.56 0.00 0.00 34.95 28.65 3aet s ARG 16 CO 0.19 -3.07 1.53 1.03 -0.81 0.00 0.00 175.30 174.17 3aet s ARG 17 N 7.45 3.17 -0.06 5.12 0.52 -1.26 -0.60 118.95 133.30 3aet s ARG 17 Ca 0.76 0.55 0.05 0.00 -0.52 0.00 0.00 55.73 56.57 3aet s ARG 17 Cb -0.13 -4.18 -0.02 0.00 0.52 0.00 0.00 34.95 31.14 3aet s ARG 17 CO 0.18 -2.09 -0.20 -2.00 0.02 0.00 0.00 175.30 171.22 3aet s GLU 18 N 5.82 2.61 0.41 3.54 2.12 0.22 -4.97 118.70 128.44 3aet s GLU 18 Ca 0.57 -0.80 0.07 0.00 0.36 0.00 0.00 54.97 55.17 3aet s GLU 18 Cb -0.12 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 31.91 3aet s GLU 18 CO 0.25 0.46 0.12 0.50 -0.54 0.00 0.00 175.26 176.05 3aet s ARG 19 N -0.34 2.15 0.00 4.30 6.06 -1.26 -2.50 118.95 127.36 3aet s ARG 19 Ca 0.02 -1.90 0.00 0.00 -2.50 0.00 0.00 55.73 51.35 3aet s ARG 19 Cb -0.12 -1.89 0.00 0.00 0.06 0.00 0.00 34.95 32.99 3aet s ARG 19 CO 0.02 -0.08 0.00 0.41 -2.50 0.00 0.00 175.30 173.16 3aet n GLY 20 N -1.15 0.69 3.73 8.12 0.00 -1.13 -3.58 105.19 111.88 3aet n GLY 20 Ca -0.02 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.81 4.22 0.08 1.61 -0.44 -1.26 -4.77 119.66 118.27 3aet s GLN 21 Ca 0.00 2.38 0.09 0.00 -2.50 0.00 0.00 55.36 55.32 3aet s GLN 21 Cb 0.00 -3.12 -0.03 0.00 -1.64 0.00 0.00 33.01 28.22 3aet s GLN 21 CO 0.00 -0.55 -0.23 0.15 0.50 0.00 0.00 175.29 175.16 3aet s LYS 22 N 0.39 1.39 -0.60 1.67 1.02 -1.26 -0.09 119.74 122.26 3aet s LYS 22 Ca 0.66 -1.10 0.05 0.00 0.02 0.00 0.00 55.97 55.59 3aet s LYS 22 Cb -0.44 -1.62 0.19 0.00 -0.52 0.00 0.00 37.83 35.44 3aet s LYS 22 CO 0.38 0.40 0.50 0.00 -0.92 0.00 0.00 175.35 175.71 3aet n ALA 23 N 1.46 3.31 -2.19 5.17 0.00 -1.26 -5.00 120.51 121.99 3aet n ALA 23 Ca -0.18 -4.12 -0.12 0.00 0.00 0.00 0.00 53.44 49.02 3aet n ALA 23 Cb 0.53 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.24 0.31 0.10 0.00 -7.23 -1.26 -4.92 120.40 106.15 3aet s VAL 24 Ca 0.30 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.37 3aet s VAL 24 Cb 0.03 -2.15 -0.07 0.00 0.56 0.00 0.00 36.38 34.76 3aet s VAL 24 CO -0.15 -0.40 0.54 -0.36 -0.31 0.00 0.00 175.10 174.43 3aet s PHE 25 N -3.91 3.70 0.84 2.82 0.08 -1.26 -4.98 117.98 115.27 3aet s PHE 25 Ca 0.26 1.14 -0.11 0.00 0.12 0.00 0.00 56.93 58.34 3aet s PHE 25 Cb 0.07 -2.41 0.09 0.00 -0.57 0.00 0.00 43.02 40.20 3aet s PHE 25 CO 0.04 0.52 1.10 0.00 -0.10 0.00 0.00 175.22 176.78 3aet h GLY 27 N -1.28 0.00 0.32 0.00 0.00 -1.56 -2.49 103.07 98.06 3aet h GLY 27 Ca -0.48 0.00 0.11 0.00 0.00 0.00 0.00 47.33 46.96 3aet h GLY 27 CO 0.57 0.00 0.27 1.41 0.00 0.00 0.00 176.54 178.79 3aet h LEU 28 N 0.00 0.28 -0.98 3.11 4.07 -1.75 -2.32 115.31 117.72 3aet h LEU 28 Ca 0.00 0.09 0.27 0.00 0.08 0.00 0.00 57.88 58.32 3aet h LEU 28 Cb 0.00 0.06 -0.14 0.00 1.08 0.00 0.00 40.66 41.66 3aet h LEU 28 CO 0.00 0.15 0.52 0.74 -1.08 0.00 0.00 178.44 178.77 3aet h THR 29 N 0.45 0.40 -0.94 0.22 2.02 -1.76 -0.77 112.91 112.54 3aet h THR 29 Ca 0.35 -0.14 0.23 0.00 0.77 0.00 0.00 66.41 67.63 3aet h THR 29 Cb 0.46 -0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 3aet h THR 29 CO -0.33 0.07 0.63 0.77 0.37 0.00 0.00 175.52 177.03 3aet h SER 30 N 0.41 0.32 -0.90 4.18 4.64 -1.61 -0.29 113.55 120.29 3aet h SER 30 Ca 0.66 0.04 0.20 0.00 -0.47 0.00 0.00 61.79 62.22 3aet h SER 30 Cb 1.39 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.39 3aet h SER 30 CO -0.56 0.11 0.59 0.40 -0.87 0.00 0.00 176.83 176.50 3aet h ILE 31 N 0.31 0.70 -0.61 0.95 2.04 -1.29 -2.82 117.51 116.79 3aet h ILE 31 Ca 0.49 -0.16 0.22 0.00 1.00 0.00 0.00 64.86 66.42 3aet h ILE 31 Cb 1.40 0.20 -0.11 0.00 -0.74 0.00 0.00 36.82 37.56 3aet h ILE 31 CO -0.16 0.08 0.21 0.52 0.00 0.00 0.00 178.15 178.80 3aet n VAL 32 N -4.53 -0.25 0.00 1.67 0.31 -0.12 -1.21 118.33 114.19 3aet n VAL 32 Ca 0.19 1.27 0.00 0.00 -0.01 0.00 0.00 64.34 65.79 3aet n VAL 32 Cb 0.66 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3aet n VAL 32 CO 0.00 0.00 0.00 -2.67 -1.32 0.00 0.00 176.83 172.84 3aet n TRP 33 N -4.52 -1.86 0.47 3.52 2.14 -1.21 -4.45 117.44 111.54 3aet n TRP 33 Ca 0.20 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.88 3aet n TRP 33 Cb 0.67 0.47 -0.00 0.00 -0.81 0.00 0.00 31.31 31.63 3aet n TRP 33 CO 0.00 0.00 0.00 1.47 2.07 0.00 0.00 177.69 181.23 3aet n LEU 34 N -2.44 0.58 -0.36 5.67 -0.00 -1.07 -3.65 117.00 115.73 3aet n LEU 34 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.04 3aet n LEU 34 Cb 0.00 -0.08 0.17 0.00 -0.00 0.00 0.00 43.42 43.51 3aet n LEU 34 CO 0.00 0.02 1.25 1.12 -0.00 0.00 0.00 177.39 179.78 3aet h HIS 35 N 0.00 1.16 -0.30 1.47 2.07 -1.38 -2.76 115.15 115.42 3aet h HIS 35 Ca 0.00 0.03 0.07 0.00 -2.85 0.00 0.00 60.37 57.62 3aet h HIS 35 Cb 0.78 -0.38 -0.07 0.00 2.57 0.00 0.00 27.41 30.31 3aet h HIS 35 CO 0.00 0.59 -0.17 0.00 -3.07 0.00 0.00 177.93 175.28 3aet h ARG 36 N 1.13 -0.13 -0.57 5.12 3.08 -1.80 -2.78 114.38 118.44 3aet h ARG 36 Ca 0.42 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.44 3aet h ARG 36 Cb 0.18 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3aet h ARG 36 CO -0.18 -0.09 0.18 -0.22 -1.07 0.00 0.00 179.97 178.60 3aet h LYS 37 N -0.13 0.87 -5.23 0.04 1.63 -1.66 -3.33 116.57 108.76 3aet h LYS 37 Ca 0.16 -0.18 -0.69 0.00 -0.85 0.00 0.00 60.65 59.08 3aet h LYS 37 Cb 0.37 -0.13 -0.15 0.00 -0.60 0.00 0.00 32.23 31.72 3aet h LYS 37 CO -0.38 0.79 1.27 -1.64 -3.45 0.00 0.00 179.45 176.04 3aet s MET 38 N -5.43 3.79 0.41 1.90 -1.94 -1.05 -4.30 119.30 112.69 3aet s MET 38 Ca -0.13 -1.92 0.21 0.00 -1.71 0.00 0.00 55.69 52.14 3aet s MET 38 Cb 0.12 -5.11 1.17 0.00 2.01 0.00 0.00 34.83 33.02 3aet s MET 38 CO 0.80 -1.91 1.75 1.96 -0.01 0.00 0.00 175.02 177.61 3aet h GLN 39 N 8.35 0.32 0.00 2.03 4.20 -1.04 -2.71 115.11 126.26 3aet h GLN 39 Ca 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3aet h GLN 39 Cb 0.96 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3aet h GLN 39 CO 1.25 0.21 -0.04 -0.44 -0.67 0.00 0.00 178.83 179.14 3aet h ASP 40 N 0.33 0.00 -3.09 1.46 3.45 -1.90 -3.48 116.42 113.19 3aet h ASP 40 Ca 0.63 -0.01 -0.63 0.00 0.43 0.00 0.00 57.03 57.44 3aet h ASP 40 Cb 1.70 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 40.39 3aet h ASP 40 CO -0.31 0.01 -0.57 0.00 -1.57 0.00 0.00 179.24 176.80 3aet s ALA 41 N -3.12 3.70 -0.09 3.45 0.00 -1.02 -1.35 121.76 123.32 3aet s ALA 41 Ca 0.10 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3aet s ALA 41 Cb 0.11 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3aet s ALA 41 CO 0.62 0.77 -0.22 0.12 0.00 0.00 0.00 175.76 177.05 3aet s PHE 42 N -1.41 2.36 -0.42 0.00 2.19 -0.57 -4.84 117.98 115.30 3aet s PHE 42 Ca 0.31 -0.96 -0.09 0.00 0.33 0.00 0.00 56.93 56.52 3aet s PHE 42 Cb -0.12 -1.59 0.08 0.00 -1.31 0.00 0.00 43.02 40.07 3aet s PHE 42 CO 0.23 -0.39 0.25 -0.06 1.83 0.00 0.00 175.22 177.08 3aet s PHE 43 N 0.40 3.35 -0.60 10.12 0.40 -1.00 -0.26 117.98 130.39 3aet s PHE 43 Ca -0.18 -1.59 -0.10 0.00 -0.60 0.00 0.00 56.93 54.47 3aet s PHE 43 Cb -0.18 -2.96 0.15 0.00 0.51 0.00 0.00 43.02 40.55 3aet s PHE 43 CO 0.08 -0.86 0.49 -1.17 0.70 0.00 0.00 175.22 174.46 3aet s LEU 44 N 1.41 5.91 0.22 -0.37 2.96 -0.03 -2.06 118.68 126.73 3aet s LEU 44 Ca 0.03 -2.30 -0.30 0.00 -0.22 0.00 0.00 54.13 51.34 3aet s LEU 44 Cb -0.23 -2.05 -0.10 0.00 0.50 0.00 0.00 46.19 44.32 3aet s LEU 44 CO 0.02 -0.61 1.43 -0.69 -1.32 0.00 0.00 176.35 175.17 3aet s VAL 45 N 0.78 2.81 -0.46 1.68 1.01 0.27 -2.45 120.40 124.03 3aet s VAL 45 Ca 0.11 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 3aet s VAL 45 Cb -0.21 -3.42 0.09 0.00 0.00 0.00 0.00 36.38 32.84 3aet s VAL 45 CO -0.03 0.09 0.36 -0.69 0.00 0.00 0.00 175.10 174.83 3aet s VAL 46 N 0.23 4.72 0.00 2.92 1.01 -0.75 -0.29 120.40 128.25 3aet s VAL 46 Ca 0.60 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3aet s VAL 46 Cb -0.41 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3aet s VAL 46 CO 0.40 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.48 3aet n GLY 47 N 5.06 3.07 3.80 4.51 0.00 -1.20 -3.27 105.19 117.15 3aet n GLY 47 Ca -0.11 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 3aet n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3aet n SER 48 N 0.00 1.90 0.30 1.61 3.41 -1.26 0.51 113.62 120.09 3aet n SER 48 Ca 0.00 -2.42 0.19 0.00 -0.26 0.00 0.00 58.87 56.39 3aet n SER 48 Cb 0.00 -0.46 0.91 0.00 -0.26 0.00 0.00 64.21 64.40 3aet n SER 48 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3aet h ARG 49 N 0.00 0.00 -0.14 4.33 2.43 -1.92 -1.96 114.38 117.12 3aet h ARG 49 Ca -0.28 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3aet h ARG 49 Cb 1.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3aet h ARG 49 CO 0.37 0.01 0.08 1.15 -1.51 0.00 0.00 179.97 180.07 3aet h THR 50 N 0.00 1.09 -0.39 0.20 2.02 -1.99 -1.59 112.91 112.25 3aet h THR 50 Ca -0.00 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3aet h THR 50 Cb 0.29 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3aet h THR 50 CO 0.00 0.08 0.19 0.00 0.37 0.00 0.00 175.52 176.16 3aet h ALA 52 N 1.21 0.21 -0.20 0.00 0.00 -1.43 -2.17 119.26 116.88 3aet h ALA 52 Ca 0.17 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3aet h ALA 52 Cb 0.08 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3aet h ALA 52 CO -0.12 -0.42 -0.37 1.25 0.00 0.00 0.00 179.25 179.59 3aet h HIS 53 N 0.07 0.49 0.68 0.00 6.17 -0.82 -1.49 115.15 120.25 3aet h HIS 53 Ca 0.11 -0.13 -0.03 0.00 0.71 0.00 0.00 60.37 61.03 3aet h HIS 53 Cb 0.14 -0.11 0.01 0.00 2.52 0.00 0.00 27.41 29.97 3aet h HIS 53 CO -0.19 0.74 -0.33 1.25 0.71 0.00 0.00 177.93 180.11 3aet h LEU 54 N 0.36 -0.77 -0.76 0.26 6.46 -0.63 -0.39 115.31 119.84 3aet h LEU 54 Ca 0.04 0.02 0.15 0.00 -0.12 0.00 0.00 57.88 57.96 3aet h LEU 54 Cb 0.81 0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 40.84 3aet h LEU 54 CO 0.07 -0.54 0.29 -0.07 -0.62 0.00 0.00 178.44 177.57 3aet h LEU 55 N -0.94 0.26 0.32 2.25 3.38 -1.23 0.31 115.31 119.67 3aet h LEU 55 Ca -0.09 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3aet h LEU 55 Cb 0.71 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3aet h LEU 55 CO 0.15 0.09 -0.46 -0.61 0.09 0.00 0.00 178.44 177.71 3aet h GLN 56 N 0.43 -0.78 -0.63 1.13 4.15 -1.15 0.33 115.11 118.58 3aet h GLN 56 Ca 0.42 0.05 0.13 0.00 0.77 0.00 0.00 58.65 60.03 3aet h GLN 56 Cb 0.65 0.18 -0.11 0.00 0.21 0.00 0.00 27.48 28.40 3aet h GLN 56 CO -0.41 -0.52 -0.05 0.00 -1.93 0.00 0.00 178.83 175.91 3aet h ALA 57 N -0.88 0.57 -0.11 3.38 0.00 0.20 -1.89 119.26 120.52 3aet h ALA 57 Ca -0.04 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3aet h ALA 57 Cb 0.74 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3aet h ALA 57 CO -0.13 -0.41 -0.37 0.00 0.00 0.00 0.00 179.25 178.34 3aet h ALA 58 N 1.60 1.17 -0.00 0.00 0.00 -0.04 -3.07 119.26 118.92 3aet h ALA 58 Ca 0.33 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3aet h ALA 58 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3aet h ALA 58 CO -0.58 0.56 -0.12 0.00 0.00 0.00 0.00 179.25 179.10 3aet n ALA 59 N -2.47 2.79 0.00 0.00 0.00 0.11 -4.96 120.51 115.98 3aet n ALA 59 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3aet n ALA 59 Cb 0.45 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.28 1.79 0.22 0.00 0.00 -0.98 0.09 105.19 107.58 3aet n GLY 60 Ca 0.14 0.29 0.10 0.00 0.00 0.00 0.00 46.02 46.56 3aet n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3aet h VAL 61 N 0.00 0.45 -0.67 1.61 -1.51 -1.93 -3.14 116.25 111.06 3aet h VAL 61 Ca 0.00 -1.14 0.18 0.00 -1.23 0.00 0.00 66.70 64.50 3aet h VAL 61 Cb 0.00 1.83 -0.03 0.00 -2.13 0.00 0.00 31.29 30.96 3aet h VAL 61 CO 0.00 0.20 0.47 -0.03 -1.23 0.00 0.00 177.57 176.98 3aet h MET 62 N 0.00 0.09 -0.58 5.19 1.85 -0.75 -0.94 114.93 119.79 3aet h MET 62 Ca -0.00 -0.01 0.17 0.00 -0.61 0.00 0.00 59.70 59.25 3aet h MET 62 Cb 0.81 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.80 3aet h MET 62 CO 0.03 0.06 0.63 0.97 -0.40 0.00 0.00 176.91 178.19 3aet h ILE 63 N 0.09 0.29 -0.01 1.77 6.09 -1.61 0.25 117.51 124.38 3aet h ILE 63 Ca 0.32 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.81 3aet h ILE 63 Cb 1.15 0.50 0.00 0.00 0.47 0.00 0.00 36.82 38.94 3aet h ILE 63 CO -0.03 0.00 -0.10 0.49 -3.07 0.00 0.00 178.15 175.44 3aet n PHE 64 N -3.62 0.00 -1.22 2.19 3.72 -0.36 -4.21 117.46 113.95 3aet n PHE 64 Ca 0.12 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.26 3aet n PHE 64 Cb 0.84 -0.05 0.17 0.00 -0.94 0.00 0.00 39.48 39.50 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 -0.20 5.67 -4.18 4.37 0.00 0.89 -4.89 120.51 122.17 3aet n ALA 65 Ca 0.16 -2.94 -0.40 0.00 0.00 0.00 0.00 53.44 50.26 3aet n ALA 65 Cb 0.34 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.11 -0.52 -0.64 0.00 1.02 -1.26 -4.89 120.64 113.25 3aet n GLU 66 Ca 0.60 0.06 -0.31 0.00 -0.02 0.00 0.00 57.16 57.49 3aet n GLU 66 Cb 1.55 -2.88 0.19 0.00 -0.02 0.00 0.00 31.44 30.27 3aet n GLU 66 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3aet n PRO 67 N -4.84 -0.93 -2.57 3.49 -0.04 -1.26 -4.88 135.00 123.97 3aet n PRO 67 Ca -0.20 -0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 62.63 3aet n PRO 67 Cb 0.61 -2.28 0.02 0.00 -0.04 0.00 0.00 33.50 31.81 3aet n PRO 67 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3aet n ARG 68 N -4.17 5.26 -3.90 0.54 1.74 -1.26 -4.89 116.66 109.98 3aet n ARG 68 Ca 0.09 -4.49 -0.08 0.00 -0.77 0.00 0.00 57.85 52.60 3aet n ARG 68 Cb 0.53 -2.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.44 3aet n ARG 68 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3aet s PHE 69 N -3.77 0.03 0.00 -1.55 -0.71 -1.26 -2.36 117.98 108.36 3aet s PHE 69 Ca 0.40 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.81 3aet s PHE 69 Cb 0.18 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.54 3aet s PHE 69 CO -0.11 -1.20 0.00 0.41 -1.34 0.00 0.00 175.22 172.98 3aet n GLY 70 N -0.45 0.51 3.05 1.99 0.00 -0.87 -4.94 105.19 104.47 3aet n GLY 70 Ca -0.04 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 3aet n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3aet s THR 71 N -2.00 1.43 -0.92 2.61 -4.23 -1.26 -0.57 115.64 110.70 3aet s THR 71 Ca 0.00 -0.61 -0.24 0.00 -1.18 0.00 0.00 61.69 59.66 3aet s THR 71 Cb 0.00 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.53 3aet s THR 71 CO 0.00 0.43 1.68 0.00 -0.54 0.00 0.00 174.62 176.18 3aet s ALA 72 N 0.95 2.23 -0.27 3.99 0.00 0.61 -4.94 121.76 124.32 3aet s ALA 72 Ca -0.08 -1.77 -0.29 0.00 0.00 0.00 0.00 51.96 49.83 3aet s ALA 72 Cb -0.15 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.47 3aet s ALA 72 CO -0.01 -4.12 1.19 0.14 0.00 0.00 0.00 175.76 172.96 3aet s VAL 73 N 7.47 4.36 -0.24 0.00 -7.23 -1.26 -3.26 120.40 120.24 3aet s VAL 73 Ca 0.57 1.58 -0.38 0.00 -1.81 0.00 0.00 61.98 61.94 3aet s VAL 73 Cb -0.04 -4.23 -0.14 0.00 0.56 0.00 0.00 36.38 32.52 3aet s VAL 73 CO -0.02 -0.37 1.82 0.18 -0.31 0.00 0.00 175.10 176.39 3aet n LEU 74 N 7.01 2.65 -4.98 1.32 7.99 0.18 -4.94 117.00 126.23 3aet n LEU 74 Ca 0.13 1.01 -0.19 0.00 -0.01 0.00 0.00 56.01 56.95 3aet n LEU 74 Cb 0.46 -1.21 -0.01 0.00 -0.11 0.00 0.00 43.42 42.56 3aet n LEU 74 CO 0.59 -0.34 0.04 -1.61 -1.51 0.00 0.00 177.39 174.56 3aet s GLU 75 N 3.90 3.12 0.41 3.23 2.02 -1.26 -4.73 118.70 125.38 3aet s GLU 75 Ca 0.98 -1.01 0.24 0.00 0.02 0.00 0.00 54.97 55.20 3aet s GLU 75 Cb -0.96 -2.80 1.29 0.00 0.10 0.00 0.00 34.13 31.76 3aet s GLU 75 CO 0.61 0.10 1.66 1.49 0.02 0.00 0.00 175.26 179.14 3aet h GLU 76 N 0.95 0.18 -0.27 1.61 4.57 -2.02 0.14 114.58 119.74 3aet h GLU 76 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3aet h GLU 76 Cb 1.25 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3aet h GLU 76 CO 0.54 0.12 0.00 0.00 -1.18 0.00 0.00 179.01 178.49 3aet n GLN 77 N -4.78 1.64 -0.00 1.92 -0.00 -1.26 -3.43 117.38 111.47 3aet n GLN 77 Ca 0.34 -1.00 0.08 0.00 -0.00 0.00 0.00 57.00 56.42 3aet n GLN 77 Cb 1.23 -1.23 -0.09 0.00 -0.00 0.00 0.00 30.24 30.14 3aet n GLN 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3aet n ASP 78 N 0.30 0.79 0.20 2.61 8.00 0.49 -4.58 116.55 124.36 3aet n ASP 78 Ca 0.10 -0.89 -0.13 0.00 0.71 0.00 0.00 54.79 54.57 3aet n ASP 78 Cb 0.24 1.00 -0.08 0.00 -0.02 0.00 0.00 41.12 42.26 3aet n ASP 78 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3aet h LEU 79 N 0.00 -0.44 -9.33 0.64 3.38 -1.68 -3.42 115.31 104.46 3aet h LEU 79 Ca 0.00 -0.13 -0.68 0.00 0.09 0.00 0.00 57.88 57.16 3aet h LEU 79 Cb 0.39 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 3aet h LEU 79 CO 0.00 -0.07 -0.61 0.00 0.09 0.00 0.00 178.44 177.85 3aet s ALA 80 N -4.80 3.33 0.54 1.53 0.00 -1.26 -4.69 121.76 116.41 3aet s ALA 80 Ca -0.14 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3aet s ALA 80 Cb 0.02 -1.50 0.03 0.00 0.00 0.00 0.00 23.12 21.66 3aet s ALA 80 CO 0.51 0.60 0.22 0.41 0.00 0.00 0.00 175.76 177.50 3aet n GLY 81 N 2.03 3.12 2.45 0.00 0.00 -1.26 -4.87 105.19 106.65 3aet n GLY 81 Ca -0.18 -2.34 -0.29 0.00 0.00 0.00 0.00 46.02 43.21 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 0.00 6.92 0.00 0.99 7.99 -1.26 -3.63 117.00 128.00 3aet n LEU 82 Ca -0.11 -4.13 0.00 0.00 -0.01 0.00 0.00 56.01 51.75 3aet n LEU 82 Cb 0.64 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.83 3aet n LEU 82 CO 0.36 1.60 0.00 0.00 -1.51 0.00 0.00 177.39 177.84 3aet n ALA 83 N 0.15 2.20 -0.15 -1.18 0.00 -1.26 -4.72 120.51 115.56 3aet n ALA 83 Ca 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 3aet n ALA 83 Cb 0.50 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.14 -0.77 0.00 5.19 -1.96 -2.97 116.42 115.77 3aet h ASP 84 Ca 0.00 0.11 0.11 0.00 -0.62 0.00 0.00 57.03 56.63 3aet h ASP 84 Cb 0.00 0.18 -0.12 0.00 0.18 0.00 0.00 39.33 39.57 3aet h ASP 84 CO 0.00 -0.04 -0.33 0.00 -3.12 0.00 0.00 179.24 175.75 3aet n ALA 85 N -2.61 -0.17 -0.03 3.45 0.00 -1.24 -0.59 120.51 119.32 3aet n ALA 85 Ca 0.05 0.75 -0.13 0.00 0.00 0.00 0.00 53.44 54.11 3aet n ALA 85 Cb 0.26 -0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.31 3aet n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3aet h HIS 86 N 0.00 0.16 -0.54 0.00 3.86 -1.81 0.09 115.15 116.92 3aet h HIS 86 Ca 0.24 -0.06 0.11 0.00 -1.16 0.00 0.00 60.37 59.50 3aet h HIS 86 Cb 0.44 -0.03 -0.11 0.00 1.06 0.00 0.00 27.41 28.77 3aet h HIS 86 CO -0.70 0.68 -0.21 -0.22 0.86 0.00 0.00 177.93 178.34 3aet h LYS 87 N -0.40 -0.08 -0.32 2.45 3.64 -1.41 0.34 116.57 120.79 3aet h LYS 87 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3aet h LYS 87 Cb 0.67 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 3aet h LYS 87 CO 0.02 -0.05 -0.27 1.49 -2.27 0.00 0.00 179.45 178.37 3aet h GLU 88 N -0.08 -0.23 0.24 1.90 4.57 -0.65 -1.73 114.58 118.60 3aet h GLU 88 Ca 0.25 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 3aet h GLU 88 Cb 0.47 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3aet h GLU 88 CO -0.59 -0.15 -0.12 1.25 -1.18 0.00 0.00 179.01 178.22 3aet h LEU 89 N -0.24 -0.27 -0.84 1.64 5.85 0.50 -1.55 115.31 120.41 3aet h LEU 89 Ca 0.16 -0.05 0.19 0.00 0.84 0.00 0.00 57.88 59.02 3aet h LEU 89 Cb 0.49 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 41.44 3aet h LEU 89 CO -0.45 -0.13 -0.08 0.44 -0.34 0.00 0.00 178.44 177.88 3aet h ASP 90 N -0.40 -0.55 -0.34 1.25 3.45 -0.07 0.56 116.42 120.32 3aet h ASP 90 Ca -0.03 0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.64 3aet h ASP 90 Cb 0.30 0.45 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 3aet h ASP 90 CO 0.05 -0.25 0.13 -0.09 -1.57 0.00 0.00 179.24 177.51 3aet h ARG 91 N 0.04 0.51 -0.74 3.56 1.12 -1.02 0.54 114.38 118.40 3aet h ARG 91 Ca 0.44 -0.10 -0.04 0.00 -1.11 0.00 0.00 59.98 59.18 3aet h ARG 91 Cb 0.77 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.62 3aet h ARG 91 CO -0.80 0.52 0.31 0.93 -3.11 0.00 0.00 179.97 177.81 3aet h GLU 92 N 0.40 1.08 -0.06 0.20 4.39 0.45 -0.34 114.58 120.69 3aet h GLU 92 Ca 0.11 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3aet h GLU 92 Cb 0.20 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3aet h GLU 92 CO -0.01 0.87 -0.04 0.28 -1.16 0.00 0.00 179.01 178.95 3aet h VAL 93 N 1.06 1.35 -0.54 3.13 2.07 0.35 -1.85 116.25 121.81 3aet h VAL 93 Ca 0.25 -1.11 0.09 0.00 0.82 0.00 0.00 66.70 66.74 3aet h VAL 93 Cb 0.18 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 3aet h VAL 93 CO -0.02 0.31 0.15 0.00 0.02 0.00 0.00 177.57 178.02 3aet h ALA 94 N 0.59 0.64 -0.30 1.67 0.00 0.23 0.15 119.26 122.24 3aet h ALA 94 Ca 0.01 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3aet h ALA 94 Cb 0.51 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 3aet h ALA 94 CO 0.01 -0.27 -0.25 -0.22 0.00 0.00 0.00 179.25 178.52 3aet h LYS 95 N 0.30 -0.23 -0.83 0.00 1.63 -1.02 -1.45 116.57 114.96 3aet h LYS 95 Ca 0.27 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 3aet h LYS 95 Cb 0.35 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.99 3aet h LYS 95 CO -0.32 -0.15 0.44 1.25 -3.45 0.00 0.00 179.45 177.22 3aet h LEU 96 N -0.24 1.05 -0.03 5.20 5.85 -0.24 -1.71 115.31 125.20 3aet h LEU 96 Ca 0.15 -0.11 -0.26 0.00 0.84 0.00 0.00 57.88 58.50 3aet h LEU 96 Cb 0.48 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.26 3aet h LEU 96 CO -0.43 0.86 -1.01 -0.07 -0.34 0.00 0.00 178.44 177.45 3aet h LEU 97 N 1.16 0.89 -0.56 2.25 -0.00 -0.36 -2.58 115.31 116.12 3aet h LEU 97 Ca 0.29 -0.70 -0.05 0.00 -0.00 0.00 0.00 57.88 57.42 3aet h LEU 97 Cb 0.06 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.42 3aet h LEU 97 CO -0.04 1.50 0.14 1.05 -0.00 0.00 0.00 178.44 181.09 3aet h GLU 98 N 0.40 0.89 -0.49 1.13 -0.00 -1.30 -3.19 114.58 112.03 3aet h GLU 98 Ca -0.12 -0.21 0.00 0.00 -0.00 0.00 0.00 59.36 59.03 3aet h GLU 98 Cb 1.66 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 30.29 3aet h GLU 98 CO 0.20 0.83 0.00 2.89 -0.00 0.00 0.00 179.01 182.93 3aet n ARG 99 N -4.40 1.35 -3.06 1.06 -4.01 -0.64 -4.01 116.66 102.93 3aet n ARG 99 Ca 0.02 -0.37 0.02 0.00 -1.04 0.00 0.00 57.85 56.49 3aet n ARG 99 Cb 0.23 -1.32 -0.00 0.00 -3.04 0.00 0.00 32.46 28.33 3aet n ARG 99 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 3aet s ARG 100 N -1.57 0.52 0.07 2.89 1.70 -0.99 -5.02 118.95 116.55 3aet s ARG 100 Ca 0.07 -0.04 0.20 0.00 -0.47 0.00 0.00 55.73 55.48 3aet s ARG 100 Cb 0.04 0.09 0.82 0.00 -0.57 0.00 0.00 34.95 35.33 3aet s ARG 100 CO 0.03 -0.79 1.62 -0.35 -1.08 0.00 0.00 175.30 174.73 3aet n PRO 101 N 4.42 0.06 -0.11 3.89 -0.04 -1.23 -3.57 135.00 138.42 3aet n PRO 101 Ca 0.08 0.25 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 3aet n PRO 101 Cb 0.59 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3aet n PRO 101 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3aet h ASP 102 N 0.00 0.43 -1.30 3.54 3.32 -1.95 -3.44 116.42 117.02 3aet h ASP 102 Ca 0.00 -0.06 -0.62 0.00 0.02 0.00 0.00 57.03 56.36 3aet h ASP 102 Cb 0.35 -0.11 0.13 0.00 0.22 0.00 0.00 39.33 39.92 3aet h ASP 102 CO 0.00 0.37 -0.72 -0.38 -1.72 0.00 0.00 179.24 176.79 3aet n ILE 103 N -4.79 1.26 0.00 0.35 -0.00 -1.23 -4.90 119.36 110.04 3aet n ILE 103 Ca -0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 62.75 62.26 3aet n ILE 103 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.70 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 1.14 4.00 -4.16 0.38 5.12 -0.45 -4.86 116.66 117.82 3aet n ARG 104 Ca 0.14 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.82 3aet n ARG 104 Cb 0.32 -0.50 -0.17 0.00 -1.16 0.00 0.00 32.46 30.95 3aet n ARG 104 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3aet s GLN 105 N -0.33 1.26 -0.27 5.56 -0.21 -1.24 -1.01 119.66 123.42 3aet s GLN 105 Ca 0.00 -0.21 -0.03 0.00 0.02 0.00 0.00 55.36 55.14 3aet s GLN 105 Cb 0.00 -1.24 0.02 0.00 1.00 0.00 0.00 33.01 32.79 3aet s GLN 105 CO 0.00 -0.13 -0.01 -1.17 -2.12 0.00 0.00 175.29 171.85 3aet s LEU 106 N 1.21 3.44 -0.31 2.90 2.96 -0.65 -1.51 118.68 126.73 3aet s LEU 106 Ca -0.05 -0.84 -0.22 0.00 -0.22 0.00 0.00 54.13 52.80 3aet s LEU 106 Cb -0.14 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 3aet s LEU 106 CO -0.02 -0.16 0.70 -0.36 -1.32 0.00 0.00 176.35 175.19 3aet s PHE 107 N 1.37 3.21 -0.57 5.38 0.08 0.64 -2.13 117.98 125.95 3aet s PHE 107 Ca 0.01 0.67 -0.28 0.00 0.12 0.00 0.00 56.93 57.45 3aet s PHE 107 Cb -0.17 -3.09 0.03 0.00 -0.57 0.00 0.00 43.02 39.22 3aet s PHE 107 CO -0.02 -0.52 1.20 -0.51 -0.10 0.00 0.00 175.22 175.27 3aet s LEU 108 N 2.76 3.45 -0.07 -0.37 1.43 -0.85 -0.85 118.68 124.18 3aet s LEU 108 Ca 0.28 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 3aet s LEU 108 Cb -0.15 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.85 3aet s LEU 108 CO 0.12 -1.49 0.28 -0.69 0.23 0.00 0.00 176.35 174.80 3aet s VAL 109 N 4.99 5.27 -0.13 -1.59 1.01 -1.03 -1.70 120.40 127.23 3aet s VAL 109 Ca 0.44 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 3aet s VAL 109 Cb -0.08 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3aet s VAL 109 CO 0.26 0.57 0.06 -0.83 0.00 0.00 0.00 175.10 175.16 3aet s GLY 110 N -0.84 1.95 0.57 4.51 0.00 0.27 -1.81 107.32 111.97 3aet s GLY 110 Ca 0.19 -0.74 0.08 0.00 0.00 0.00 0.00 44.72 44.25 3aet s GLY 110 CO 0.08 -0.31 0.68 -1.35 0.00 0.00 0.00 173.10 172.20 3aet s SER 111 N -0.51 4.94 0.04 1.64 1.04 -1.20 -0.21 113.70 119.44 3aet s SER 111 Ca 0.10 -0.98 -0.29 0.00 0.48 0.00 0.00 55.95 55.26 3aet s SER 111 Cb -0.12 0.36 -0.16 0.00 0.10 0.00 0.00 66.02 66.20 3aet s SER 111 CO 0.02 -1.29 1.41 0.00 0.98 0.00 0.00 173.24 174.37 3aet h PRO 113 N -1.08 0.04 -0.72 0.00 0.11 -1.96 0.18 132.00 128.57 3aet h PRO 113 Ca -0.11 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3aet h PRO 113 Cb 0.81 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 3aet h PRO 113 CO 0.18 0.03 0.44 0.66 -0.21 0.00 0.00 178.00 179.09 3aet h SER 114 N 0.04 0.86 0.04 -2.05 4.64 -1.76 0.42 113.55 115.75 3aet h SER 114 Ca 0.39 -0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 61.39 3aet h SER 114 Cb 0.64 -0.22 0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3aet h SER 114 CO -0.72 0.66 -1.07 -0.33 -0.87 0.00 0.00 176.83 174.50 3aet h GLU 115 N 0.99 0.66 -0.08 4.77 5.08 -1.08 -1.34 114.58 123.58 3aet h GLU 115 Ca 0.26 -0.76 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 3aet h GLU 115 Cb -0.04 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3aet h GLU 115 CO -0.05 1.33 0.05 0.28 -1.00 0.00 0.00 179.01 179.63 3aet h VAL 116 N 0.32 1.00 -0.00 3.13 2.07 -0.46 0.18 116.25 122.49 3aet h VAL 116 Ca -0.15 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3aet h VAL 116 Cb 1.74 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3aet h VAL 116 CO 0.21 0.01 0.00 0.18 0.02 0.00 0.00 177.57 177.99 3aet n LEU 117 N -4.52 0.07 -2.07 2.57 4.77 0.09 -4.89 117.00 113.01 3aet n LEU 117 Ca -0.02 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 3aet n LEU 117 Cb 0.11 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3aet n LEU 117 CO 0.34 0.01 -0.13 0.29 -1.33 0.00 0.00 177.39 176.58 3aet n LYS 118 N -0.94 -1.95 -2.77 3.23 4.01 0.63 -4.87 118.16 115.49 3aet n LYS 118 Ca 0.23 0.57 -0.43 0.00 -0.51 0.00 0.00 58.31 58.18 3aet n LYS 118 Cb 0.12 -5.03 -0.03 0.00 -0.51 0.00 0.00 35.03 29.57 3aet n LYS 118 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 3aet s LEU 119 N -4.85 3.94 -0.81 -0.35 0.05 -0.54 -4.93 118.68 111.20 3aet s LEU 119 Ca 0.00 0.46 -0.25 0.00 0.05 0.00 0.00 54.13 54.38 3aet s LEU 119 Cb 0.00 -3.30 0.01 0.00 -2.05 0.00 0.00 46.19 40.85 3aet s LEU 119 CO 0.00 -0.97 1.59 -0.62 -0.55 0.00 0.00 176.35 175.80 3aet s ASP 120 N 2.06 5.83 0.48 1.48 -1.08 -1.26 -4.75 116.67 119.42 3aet s ASP 120 Ca 0.40 -0.54 0.24 0.00 -0.52 0.00 0.00 52.55 52.13 3aet s ASP 120 Cb -0.11 -2.55 1.20 0.00 -1.46 0.00 0.00 42.92 40.00 3aet s ASP 120 CO 0.23 -2.07 1.97 -0.07 0.52 0.00 0.00 175.17 175.75 3aet h LEU 121 N 14.75 0.00 -0.50 -1.34 4.07 -1.95 -3.14 115.31 127.21 3aet h LEU 121 Ca -0.09 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.93 3aet h LEU 121 Cb 1.06 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.75 3aet h LEU 121 CO 1.29 0.19 0.22 0.44 -1.08 0.00 0.00 178.44 179.50 3aet h ASP 122 N 0.00 0.29 0.77 -0.43 5.19 -1.94 0.13 116.42 120.43 3aet h ASP 122 Ca -0.00 0.04 -0.25 0.00 -0.62 0.00 0.00 57.03 56.20 3aet h ASP 122 Cb 0.49 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 3aet h ASP 122 CO 0.02 0.20 -1.18 -0.09 -3.12 0.00 0.00 179.24 175.08 3aet h ARG 123 N 0.44 0.15 0.33 3.56 2.43 -1.97 -2.49 114.38 116.82 3aet h ARG 123 Ca 0.23 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3aet h ARG 123 Cb 0.18 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3aet h ARG 123 CO -0.19 1.10 -0.22 0.00 -1.51 0.00 0.00 179.97 179.15 3aet h ALA 124 N 0.76 -0.53 -0.94 2.80 0.00 -1.47 0.87 119.26 120.76 3aet h ALA 124 Ca -0.10 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3aet h ALA 124 Cb 1.89 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.89 3aet h ALA 124 CO 0.17 -0.81 0.58 0.00 0.00 0.00 0.00 179.25 179.19 3aet h ALA 125 N 0.09 1.34 -0.05 0.00 0.00 -0.78 0.23 119.26 120.09 3aet h ALA 125 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3aet h ALA 125 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3aet h ALA 125 CO 0.02 0.27 -0.00 1.49 0.00 0.00 0.00 179.25 181.03 3aet h GLU 126 N 1.00 0.01 -0.41 0.00 4.22 -0.93 -2.71 114.58 115.75 3aet h GLU 126 Ca 0.43 -0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.81 3aet h GLU 126 Cb 0.30 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3aet h GLU 126 CO -0.22 0.01 0.02 -0.09 -2.18 0.00 0.00 179.01 176.55 3aet h ARG 127 N 0.01 0.71 -0.17 1.92 2.43 0.24 -3.13 114.38 116.39 3aet h ARG 127 Ca 0.02 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 3aet h ARG 127 Cb 0.03 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3aet h ARG 127 CO -0.04 0.78 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.97 3aet h LEU 128 N 0.55 0.27 -0.47 3.80 -0.00 -0.61 -2.66 115.31 116.20 3aet h LEU 128 Ca 0.12 -0.07 0.05 0.00 -0.00 0.00 0.00 57.88 57.98 3aet h LEU 128 Cb 0.45 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 40.99 3aet h LEU 128 CO 0.02 0.46 0.22 0.28 -0.00 0.00 0.00 178.44 179.42 3aet h SER 129 N 0.27 0.30 0.00 -0.43 0.02 -1.42 -0.82 113.55 111.46 3aet h SER 129 Ca 0.05 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3aet h SER 129 Cb 0.45 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3aet h SER 129 CO 0.03 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 3aet n GLY 130 N -1.24 -3.01 0.26 -3.77 0.00 -1.02 -0.01 105.19 96.41 3aet n GLY 130 Ca 0.04 0.22 0.26 0.00 0.00 0.00 0.00 46.02 46.54 3aet n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3aet n LEU 131 N -1.20 0.27 -0.54 0.99 4.32 -1.13 -0.39 117.00 119.33 3aet n LEU 131 Ca 0.00 1.31 0.05 0.00 -0.02 0.00 0.00 56.01 57.35 3aet n LEU 131 Cb 0.00 -0.64 0.13 0.00 -1.62 0.00 0.00 43.42 41.29 3aet n LEU 131 CO 0.00 -1.47 0.60 1.41 -1.22 0.00 0.00 177.39 176.72 3aet n HIS 132 N -4.77 0.38 -1.69 -1.77 8.25 -0.32 -5.02 115.22 110.28 3aet n HIS 132 Ca 0.30 -0.49 -0.32 0.00 -0.26 0.00 0.00 57.72 56.96 3aet n HIS 132 Cb 1.04 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 32.17 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 -0.99 2.63 -2.48 -1.41 0.00 0.99 -2.47 121.76 118.03 3aet s ALA 133 Ca 0.19 0.24 0.23 0.00 0.00 0.00 0.00 51.96 52.62 3aet s ALA 133 Cb 0.10 -3.22 0.50 0.00 0.00 0.00 0.00 23.12 20.51 3aet s ALA 133 CO 0.13 -1.17 1.43 -0.35 0.00 0.00 0.00 175.76 175.81 3aet n PRO 134 N -2.79 2.27 0.29 0.00 -0.04 -1.26 -4.84 135.00 128.62 3aet n PRO 134 Ca 0.08 -1.90 0.16 0.00 -0.04 0.00 0.00 63.50 61.80 3aet n PRO 134 Cb 0.53 -1.48 0.89 0.00 -0.04 0.00 0.00 33.50 33.41 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 3.85 0.00 -3.46 0.54 2.76 -1.94 -3.40 115.15 113.50 3aet h HIS 135 Ca 0.00 0.00 -0.42 0.00 -2.20 0.00 0.00 60.37 57.75 3aet h HIS 135 Cb 0.84 0.00 -0.34 0.00 1.55 0.00 0.00 27.41 29.46 3aet h HIS 135 CO 0.18 0.04 -0.78 0.08 -1.30 0.00 0.00 177.93 176.16 3aet s VAL 136 N -4.33 0.60 -0.13 5.26 1.01 -1.03 -4.65 120.40 117.12 3aet s VAL 136 Ca -0.04 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3aet s VAL 136 Cb 0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3aet s VAL 136 CO 0.54 0.24 0.42 -0.13 0.00 0.00 0.00 175.10 176.16 3aet s ARG 137 N 0.89 4.30 -0.19 2.72 1.81 -0.18 -4.24 118.95 124.05 3aet s ARG 137 Ca -0.12 0.34 0.01 0.00 -1.72 0.00 0.00 55.73 54.25 3aet s ARG 137 Cb -0.14 -3.43 0.03 0.00 -0.45 0.00 0.00 34.95 30.96 3aet s ARG 137 CO 0.00 0.20 -0.18 0.54 -0.68 0.00 0.00 175.30 175.18 3aet s VAL 138 N 0.53 2.06 0.58 3.52 0.11 -1.26 -1.63 120.40 124.31 3aet s VAL 138 Ca 0.23 -1.06 0.10 0.00 -2.93 0.00 0.00 61.98 58.32 3aet s VAL 138 Cb -0.14 -1.92 0.10 0.00 -1.53 0.00 0.00 36.38 32.88 3aet s VAL 138 CO 0.08 0.44 0.80 -1.22 -3.33 0.00 0.00 175.10 171.87 3aet n TYR 139 N 4.59 -2.26 -3.70 1.54 4.01 -0.91 -4.51 117.16 115.93 3aet n TYR 139 Ca -0.20 -2.13 -0.13 0.00 -0.16 0.00 0.00 57.90 55.28 3aet n TYR 139 Cb 0.49 -0.55 -0.09 0.00 -0.31 0.00 0.00 39.34 38.87 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 -4.61 -0.54 0.38 7.72 0.15 -1.26 -2.01 113.70 113.54 3aet s SER 140 Ca 0.61 1.03 -0.08 0.00 0.70 0.00 0.00 55.95 58.20 3aet s SER 140 Cb -0.05 1.04 0.03 0.00 -1.71 0.00 0.00 66.02 65.33 3aet s SER 140 CO 0.38 -0.18 0.65 -0.72 1.20 0.00 0.00 173.24 174.58 3aet s TYR 141 N 0.31 0.63 -0.10 3.44 -0.85 -0.69 -4.87 117.35 115.22 3aet s TYR 141 Ca -0.00 -1.10 0.01 0.00 -0.52 0.00 0.00 57.07 55.45 3aet s TYR 141 Cb -0.04 0.41 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 3aet s TYR 141 CO 0.00 -1.41 -0.11 -0.08 -1.52 0.00 0.00 175.55 172.43 3aet s THR 142 N -2.47 3.26 0.00 -3.49 -1.32 -1.26 -0.57 115.64 109.79 3aet s THR 142 Ca 0.23 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 3aet s THR 142 Cb -0.03 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 3aet s THR 142 CO 0.17 0.55 0.94 0.61 -2.21 0.00 0.00 174.62 174.68 3aet n GLY 143 N 3.00 2.48 3.74 6.08 0.00 0.70 -4.78 105.19 116.41 3aet n GLY 143 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3aet n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3aet s SER 144 N -0.89 6.64 0.49 1.61 1.04 -0.25 -2.38 113.70 119.96 3aet s SER 144 Ca 0.00 2.66 0.32 0.00 0.48 0.00 0.00 55.95 59.41 3aet s SER 144 Cb 0.00 -2.62 1.43 0.00 0.10 0.00 0.00 66.02 64.93 3aet s SER 144 CO 0.00 -0.72 1.76 1.23 0.98 0.00 0.00 173.24 176.49 3aet h GLY 145 N 5.26 0.46 1.02 7.32 0.00 -1.90 0.51 103.07 115.74 3aet h GLY 145 Ca -0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3aet h GLY 145 CO 0.79 -0.08 0.52 1.41 0.00 0.00 0.00 176.54 179.18 3aet h LEU 146 N 0.12 1.07 -0.57 3.11 3.38 -1.95 -3.19 115.31 117.28 3aet h LEU 146 Ca 0.62 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.52 3aet h LEU 146 Cb 2.19 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3aet h LEU 146 CO -0.13 0.84 -0.56 0.47 0.09 0.00 0.00 178.44 179.15 3aet n ASP 147 N -4.39 1.45 -3.62 -0.43 8.00 0.17 -5.00 116.55 112.73 3aet n ASP 147 Ca 0.09 -1.16 -0.12 0.00 0.71 0.00 0.00 54.79 54.32 3aet n ASP 147 Cb 0.07 0.51 -0.07 0.00 -0.02 0.00 0.00 41.12 41.61 3aet n ASP 147 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3aet s THR 148 N -2.65 0.00 -0.14 -3.53 -1.32 -0.64 -4.96 115.64 102.40 3aet s THR 148 Ca 0.17 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 3aet s THR 148 Cb 0.18 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.19 3aet s THR 148 CO 0.64 0.00 -0.13 -0.89 -2.21 0.00 0.00 174.62 172.04 3aet s THR 149 N 0.00 1.45 0.00 5.08 2.01 -1.26 -3.66 115.64 119.26 3aet s THR 149 Ca 0.00 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.45 3aet s THR 149 Cb -0.04 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.09 3aet s THR 149 CO -0.02 0.44 0.00 0.33 -0.69 0.00 0.00 174.62 174.68 3aet n PHE 150 N 4.80 0.00 0.31 4.92 -0.00 0.56 -0.60 117.46 127.45 3aet n PHE 150 Ca -0.16 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.48 3aet n PHE 150 Cb 0.50 0.00 0.97 0.00 -0.00 0.00 0.00 39.48 40.95 3aet n PHE 150 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 3aet h THR 151 N 0.00 0.09 -0.78 -2.13 1.35 -1.83 0.11 112.91 109.72 3aet h THR 151 Ca 0.00 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 66.09 3aet h THR 151 Cb 0.00 0.82 -0.03 0.00 -1.73 0.00 0.00 68.15 67.21 3aet h THR 151 CO 0.00 0.00 0.57 1.56 -0.25 0.00 0.00 175.52 177.40 3aet h GLN 152 N 0.00 0.00 -0.68 4.72 4.20 -1.13 -2.16 115.11 120.06 3aet h GLN 152 Ca 0.02 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.86 3aet h GLN 152 Cb 0.39 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.08 3aet h GLN 152 CO -0.00 0.00 0.20 0.78 -0.67 0.00 0.00 178.83 179.14 3aet h GLY 153 N 0.00 0.95 0.99 3.46 0.00 -0.92 -1.01 103.07 106.54 3aet h GLY 153 Ca 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3aet h GLY 153 CO -0.00 -0.12 0.10 -2.09 0.00 0.00 0.00 176.54 174.43 3aet h GLU 154 N 0.33 0.21 0.33 4.80 4.81 -1.60 -2.81 114.58 120.65 3aet h GLU 154 Ca 0.37 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3aet h GLU 154 Cb 0.57 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3aet h GLU 154 CO -0.42 0.15 -0.47 0.22 -0.73 0.00 0.00 179.01 177.77 3aet h ASP 155 N 0.21 -1.32 -0.98 1.04 3.58 -1.29 0.49 116.42 118.14 3aet h ASP 155 Ca 0.06 0.12 0.22 0.00 0.42 0.00 0.00 57.03 57.85 3aet h ASP 155 Cb -0.01 0.46 -0.12 0.00 1.72 0.00 0.00 39.33 41.38 3aet h ASP 155 CO -0.01 -0.57 0.56 0.71 -2.88 0.00 0.00 179.24 177.05 3aet h THR 156 N -0.83 0.57 0.32 2.25 1.35 -1.27 0.49 112.91 115.79 3aet h THR 156 Ca -0.04 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 3aet h THR 156 Cb 0.75 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 3aet h THR 156 CO -0.13 0.11 -0.15 0.00 -0.25 0.00 0.00 175.52 175.10 3aet h LEU 158 N -0.63 0.55 -0.97 0.00 3.38 0.59 0.09 115.31 118.32 3aet h LEU 158 Ca -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3aet h LEU 158 Cb 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3aet h LEU 158 CO 0.07 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.10 3aet h ALA 159 N 1.58 1.00 0.00 1.53 0.00 -0.90 -2.23 119.26 120.24 3aet h ALA 159 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 3aet h ALA 159 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3aet h ALA 159 CO -0.01 0.00 -0.95 0.00 0.00 0.00 0.00 179.25 178.28 3aet h ALA 160 N 2.04 0.55 -0.02 0.00 0.00 -0.54 -3.28 119.26 118.01 3aet h ALA 160 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 54.91 53.91 3aet h ALA 160 Cb 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3aet h ALA 160 CO 0.00 1.02 -0.83 1.98 0.00 0.00 0.00 179.25 181.43 3aet h MET 161 N 0.00 0.28 0.41 0.00 -1.53 -0.85 -3.38 114.93 109.86 3aet h MET 161 Ca -0.06 -0.27 -0.01 0.00 -3.44 0.00 0.00 59.70 55.93 3aet h MET 161 Cb 1.64 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 32.73 3aet h MET 161 CO 0.09 0.96 -0.43 0.28 0.14 0.00 0.00 176.91 177.95 3aet h VAL 162 N 0.17 0.14 0.00 -5.77 2.07 -1.48 -2.19 116.25 109.19 3aet h VAL 162 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3aet h VAL 162 Cb 1.43 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3aet h VAL 162 CO 0.13 0.00 0.20 -2.65 0.02 0.00 0.00 177.57 175.27 3aet n PRO 163 N -5.51 0.02 -0.01 1.57 -0.02 -1.26 -1.83 135.00 127.96 3aet n PRO 163 Ca -0.11 0.37 0.06 0.00 -2.02 0.00 0.00 63.50 61.80 3aet n PRO 163 Cb 0.41 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.47 0.00 -1.32 3.45 -2.24 -0.84 -5.04 114.28 106.82 3aet n THR 164 Ca -0.00 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.12 3aet n THR 164 Cb 0.20 0.24 0.03 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.91 -1.39 -4.74 3.22 4.77 -0.76 -4.92 117.00 111.27 3aet n LEU 165 Ca -0.02 0.65 -0.37 0.00 -0.03 0.00 0.00 56.01 56.24 3aet n LEU 165 Cb 0.32 -1.02 0.06 0.00 -2.33 0.00 0.00 43.42 40.44 3aet n LEU 165 CO 0.26 -3.93 0.93 -1.81 -1.33 0.00 0.00 177.39 171.51 3aet s ASP 166 N -1.13 4.77 0.26 -1.43 1.11 -1.26 -4.77 116.67 114.21 3aet s ASP 166 Ca 0.62 2.68 -0.07 0.00 0.18 0.00 0.00 52.55 55.96 3aet s ASP 166 Cb -0.44 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 40.87 3aet s ASP 166 CO 0.61 -1.90 0.55 0.28 1.18 0.00 0.00 175.17 175.89 3aet s THR 167 N -1.36 4.99 0.22 -1.27 -1.32 -1.26 -1.02 115.64 114.62 3aet s THR 167 Ca 0.80 0.24 -0.12 0.00 -1.21 0.00 0.00 61.69 61.39 3aet s THR 167 Cb -0.39 -3.68 -0.00 0.00 -1.51 0.00 0.00 72.50 66.92 3aet s THR 167 CO 0.42 -0.21 0.42 0.28 -2.21 0.00 0.00 174.62 173.33 3aet s THR 168 N -1.96 0.02 -0.20 5.08 -1.32 -0.31 -4.74 115.64 112.20 3aet s THR 168 Ca 0.45 -1.35 -0.09 0.00 -1.21 0.00 0.00 61.69 59.49 3aet s THR 168 Cb -0.11 -2.05 -0.09 0.00 -1.51 0.00 0.00 72.50 68.74 3aet s THR 168 CO 0.26 -0.09 -0.25 1.21 -2.21 0.00 0.00 174.62 173.54 3aet n GLU 169 N -0.33 0.43 -1.29 7.08 2.13 -1.26 -3.82 120.64 123.58 3aet n GLU 169 Ca -0.04 0.18 -0.38 0.00 0.66 0.00 0.00 57.16 57.59 3aet n GLU 169 Cb 0.62 -1.23 0.03 0.00 0.27 0.00 0.00 31.44 31.14 3aet n GLU 169 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3aet n ALA 170 N -3.85 -2.42 -2.83 4.31 0.00 -1.26 -3.95 120.51 110.52 3aet n ALA 170 Ca -0.39 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.48 3aet n ALA 170 Cb 0.79 -1.60 0.01 0.00 0.00 0.00 0.00 19.45 18.65 3aet n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aet n ALA 171 N -1.83 5.04 -2.64 0.00 0.00 -1.26 -4.19 120.51 115.64 3aet n ALA 171 Ca 0.09 -4.60 -0.26 0.00 0.00 0.00 0.00 53.44 48.67 3aet n ALA 171 Cb 0.49 -2.61 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 3aet n ALA 171 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3aet s GLU 172 N -1.31 3.53 0.07 0.00 2.02 -1.26 -4.81 118.70 116.95 3aet s GLU 172 Ca 0.35 -0.24 -0.17 0.00 0.02 0.00 0.00 54.97 54.92 3aet s GLU 172 Cb 0.04 -2.69 -0.07 0.00 0.10 0.00 0.00 34.13 31.52 3aet s GLU 172 CO 0.05 0.21 0.53 -1.17 0.02 0.00 0.00 175.26 174.89 3aet s LEU 173 N -3.94 4.48 -0.16 1.80 0.20 -1.12 -2.79 118.68 117.16 3aet s LEU 173 Ca 0.41 1.17 0.01 0.00 0.69 0.00 0.00 54.13 56.41 3aet s LEU 173 Cb -0.10 -2.90 0.02 0.00 -0.43 0.00 0.00 46.19 42.78 3aet s LEU 173 CO 0.33 0.26 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.82 3aet s ILE 174 N -1.17 1.98 -0.45 6.68 1.01 -0.89 -0.73 121.20 127.62 3aet s ILE 174 Ca 0.29 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 3aet s ILE 174 Cb -0.18 -1.78 0.04 0.00 0.01 0.00 0.00 42.46 40.55 3aet s ILE 174 CO 0.18 0.53 0.47 -0.69 0.00 0.00 0.00 174.94 175.43 3aet s VAL 175 N 1.18 5.07 -0.19 2.92 1.01 0.62 -1.05 120.40 129.97 3aet s VAL 175 Ca 0.02 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 3aet s VAL 175 Cb -0.14 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3aet s VAL 175 CO -0.10 -0.55 0.39 -0.69 0.00 0.00 0.00 175.10 174.16 3aet s VAL 176 N 2.13 5.21 0.00 2.92 1.01 -0.33 -1.25 120.40 130.09 3aet s VAL 176 Ca 0.11 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3aet s VAL 176 Cb -0.19 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3aet s VAL 176 CO 0.11 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3aet n GLY 177 N 3.83 4.63 3.74 4.51 0.00 0.30 0.28 105.19 122.47 3aet n GLY 177 Ca -0.09 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.53 3.39 0.04 4.61 0.00 -1.26 -4.43 121.76 123.58 3aet s ALA 178 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.85 3aet s ALA 178 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3aet s ALA 178 CO 0.00 -0.24 -0.10 -0.51 0.00 0.00 0.00 175.76 174.92 3aet s LEU 179 N -0.53 2.20 0.03 0.00 1.43 -1.26 -5.02 118.68 115.54 3aet s LEU 179 Ca 0.49 -0.47 -0.35 0.00 -1.03 0.00 0.00 54.13 52.77 3aet s LEU 179 Cb -0.31 -0.33 -0.14 0.00 0.03 0.00 0.00 46.19 45.45 3aet s LEU 179 CO 0.36 -0.09 1.66 -2.65 0.23 0.00 0.00 176.35 175.86 3aet n PRO 180 N 1.75 1.95 -0.31 1.29 -0.02 -1.26 -4.70 135.00 133.70 3aet n PRO 180 Ca -0.20 0.71 0.01 0.00 -2.02 0.00 0.00 63.50 62.00 3aet n PRO 180 Cb 0.55 -2.48 0.07 0.00 -0.02 0.00 0.00 33.50 31.62 3aet n PRO 180 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3aet n ASP 181 N 4.51 -0.45 0.00 2.55 9.92 -1.26 -0.79 116.55 131.03 3aet n ASP 181 Ca 0.20 1.44 0.00 0.00 -0.53 0.00 0.00 54.79 55.90 3aet n ASP 181 Cb 0.26 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 3aet n ASP 181 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3aet n VAL 182 N -5.28 0.00 -0.20 2.53 0.31 -1.26 -1.36 118.33 113.07 3aet n VAL 182 Ca 0.10 1.22 0.01 0.00 -0.01 0.00 0.00 64.34 65.67 3aet n VAL 182 Cb 0.37 -1.65 0.11 0.00 -0.91 0.00 0.00 33.84 31.75 3aet n VAL 182 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3aet h VAL 183 N 0.00 0.58 -0.77 2.52 2.07 -1.32 -1.39 116.25 117.95 3aet h VAL 183 Ca 0.00 -0.07 0.16 0.00 0.82 0.00 0.00 66.70 67.62 3aet h VAL 183 Cb 0.00 0.37 -0.14 0.00 -1.52 0.00 0.00 31.29 29.99 3aet h VAL 183 CO 0.00 0.04 -0.11 -0.08 0.02 0.00 0.00 177.57 177.43 3aet h GLU 184 N 0.20 0.03 -0.52 1.57 4.81 -0.04 0.16 114.58 120.79 3aet h GLU 184 Ca 0.32 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.45 3aet h GLU 184 Cb 0.49 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3aet h GLU 184 CO -0.45 0.02 -0.05 -0.44 -0.73 0.00 0.00 179.01 177.36 3aet h ASP 185 N 0.03 0.90 0.28 1.04 3.32 -0.10 -0.01 116.42 121.88 3aet h ASP 185 Ca 0.39 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3aet h ASP 185 Cb 0.64 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3aet h ASP 185 CO -0.75 0.99 -0.13 1.56 -1.72 0.00 0.00 179.24 179.19 3aet h GLN 186 N 0.84 -0.36 -0.18 3.56 4.20 -0.74 0.30 115.11 122.73 3aet h GLN 186 Ca 0.15 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.92 3aet h GLN 186 Cb 0.57 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.36 3aet h GLN 186 CO 0.03 -0.15 -0.51 0.00 -0.67 0.00 0.00 178.83 177.54 3aet h LEU 188 N -0.53 -0.57 0.34 0.00 5.85 -0.76 -1.94 115.31 117.70 3aet h LEU 188 Ca 0.05 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3aet h LEU 188 Cb 0.66 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3aet h LEU 188 CO -0.46 -0.20 -0.33 -1.28 -0.34 0.00 0.00 178.44 175.84 3aet h SER 189 N -0.04 -0.87 -0.30 1.25 0.87 0.12 -0.54 113.55 114.04 3aet h SER 189 Ca 0.25 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.95 3aet h SER 189 Cb 0.41 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 62.60 3aet h SER 189 CO -0.55 -0.46 -0.17 -0.07 -0.53 0.00 0.00 176.83 175.05 3aet h LEU 190 N -0.69 -0.58 -1.97 2.23 3.38 -1.02 -0.24 115.31 116.42 3aet h LEU 190 Ca -0.02 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3aet h LEU 190 Cb 0.62 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3aet h LEU 190 CO -0.05 -0.21 0.23 -0.07 0.09 0.00 0.00 178.44 178.42 3aet h LEU 191 N -0.14 0.03 0.04 1.67 3.38 -1.20 -1.37 115.31 117.72 3aet h LEU 191 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3aet h LEU 191 Cb 0.38 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3aet h LEU 191 CO -0.39 0.02 -0.02 0.74 0.09 0.00 0.00 178.44 178.89 3aet h THR 192 N 0.04 0.83 0.00 0.22 2.02 0.54 -2.57 112.91 113.98 3aet h THR 192 Ca 0.15 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.81 3aet h THR 192 Cb 0.55 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3aet h THR 192 CO -0.01 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.15 3aet n GLN 193 N -4.75 0.10 0.26 6.66 10.64 -0.33 -0.26 117.38 129.70 3aet n GLN 193 Ca -0.05 0.42 0.13 0.00 -1.83 0.00 0.00 57.00 55.67 3aet n GLN 193 Cb 0.23 -1.73 0.65 0.00 -0.86 0.00 0.00 30.24 28.53 3aet n GLN 193 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 3aet h LEU 194 N 0.00 0.00 0.00 2.61 3.38 -1.34 -3.47 115.31 116.49 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 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3aet h LEU 194 CO 0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3aet n GLY 195 N -0.22 1.26 3.20 0.83 0.00 0.64 -4.92 105.19 105.98 3aet n GLY 195 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 4.63 0.20 1.61 1.01 -0.97 -5.05 120.40 119.83 3aet s VAL 196 Ca 0.00 -2.88 0.08 0.00 0.00 0.00 0.00 61.98 59.18 3aet s VAL 196 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3aet s VAL 196 CO 0.00 -0.97 0.01 -0.83 0.00 0.00 0.00 175.10 173.30 3aet s GLY 197 N 1.20 1.70 0.72 4.51 0.00 -1.26 -4.41 107.32 109.78 3aet s GLY 197 Ca 0.19 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 3aet s GLY 197 CO -0.07 -1.45 1.00 2.56 0.00 0.00 0.00 173.10 175.14 3aet s PRO 198 N -3.12 1.68 -0.21 2.90 0.04 -1.26 -4.91 135.00 130.12 3aet s PRO 198 Ca 0.28 -1.10 -0.05 0.00 0.04 0.00 0.00 61.00 60.18 3aet s PRO 198 Cb -0.09 -2.33 0.10 0.00 0.04 0.00 0.00 34.50 32.23 3aet s PRO 198 CO 0.19 -1.45 0.36 0.54 0.04 0.00 0.00 177.00 176.68 3aet s VAL 199 N -3.15 -0.57 0.33 -0.36 0.11 -1.26 -2.77 120.40 112.72 3aet s VAL 199 Ca 0.66 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.86 3aet s VAL 199 Cb -0.05 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 3aet s VAL 199 CO 0.44 -0.02 0.26 -0.13 -3.33 0.00 0.00 175.10 172.33 3aet s ARG 200 N 2.54 2.71 -0.03 1.54 1.81 0.09 -4.97 118.95 122.63 3aet s ARG 200 Ca 0.05 -1.29 0.02 0.00 -1.72 0.00 0.00 55.73 52.79 3aet s ARG 200 Cb -0.14 -2.45 -0.03 0.00 -0.45 0.00 0.00 34.95 31.88 3aet s ARG 200 CO -0.13 0.14 -0.04 -1.64 -0.68 0.00 0.00 175.30 172.94 3aet s MET 201 N -3.96 2.71 -0.17 3.54 -1.94 -1.26 -0.27 119.30 117.95 3aet s MET 201 Ca 0.39 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.77 3aet s MET 201 Cb -0.06 -2.60 0.03 0.00 2.01 0.00 0.00 34.83 34.21 3aet s MET 201 CO 0.26 0.64 -0.14 -1.17 -0.01 0.00 0.00 175.02 174.59 3aet s LEU 202 N -1.22 1.93 0.68 -0.03 2.96 -0.38 -3.40 118.68 119.22 3aet s LEU 202 Ca 0.16 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 3aet s LEU 202 Cb -0.11 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.33 3aet s LEU 202 CO 0.06 -0.07 1.06 -2.16 -1.32 0.00 0.00 176.35 173.91 3aet s PRO 203 N 1.43 3.02 0.59 0.98 0.04 -1.26 -0.54 135.00 139.25 3aet s PRO 203 Ca 0.03 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 3aet s PRO 203 Cb -0.14 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.44 3aet s PRO 203 CO -0.10 -1.04 0.84 0.00 0.04 0.00 0.00 177.00 176.75 3aet s ALA 204 N -3.02 3.64 0.21 8.56 0.00 -1.22 -4.92 121.76 125.00 3aet s ALA 204 Ca 0.58 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 51.43 3aet s ALA 204 Cb -0.14 -2.26 0.15 0.00 0.00 0.00 0.00 23.12 20.86 3aet s ALA 204 CO 0.54 -0.89 1.49 0.00 0.00 0.00 0.00 175.76 176.90 3aet h ARG 205 N -0.11 0.20 -4.91 0.00 3.08 -1.87 -3.39 114.38 107.37 3aet h ARG 205 Ca -0.43 -0.17 -0.30 0.00 0.07 0.00 0.00 59.98 59.15 3aet h ARG 205 Cb 1.30 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 31.24 3aet h ARG 205 CO 0.55 0.83 -0.69 0.50 -1.07 0.00 0.00 179.97 180.10 3aet s ARG 206 N -3.51 1.05 0.17 0.04 3.52 -1.26 -0.72 118.95 118.25 3aet s ARG 206 Ca -0.03 -1.47 0.02 0.00 -0.13 0.00 0.00 55.73 54.13 3aet s ARG 206 Cb 0.11 -0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.08 3aet s ARG 206 CO 0.81 -0.01 1.40 0.66 -0.81 0.00 0.00 175.30 177.34 3aet h SER 207 N 2.77 0.27 0.74 -2.12 4.64 -1.94 -3.22 113.55 114.69 3aet h SER 207 Ca -0.36 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 3aet h SER 207 Cb 1.19 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3aet h SER 207 CO 0.64 1.00 0.00 -0.90 -0.87 0.00 0.00 176.83 176.69 3aet n ASP 208 N -3.69 0.57 -2.29 4.97 5.75 -1.26 -2.49 116.55 118.11 3aet n ASP 208 Ca -0.04 0.63 -0.28 0.00 -0.01 0.00 0.00 54.79 55.10 3aet n ASP 208 Cb 0.78 -0.76 0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 -2.13 2.73 -2.58 2.12 -5.35 -1.22 -5.03 119.36 107.90 3aet n ILE 209 Ca 0.03 -4.28 -0.42 0.00 -0.27 0.00 0.00 62.75 57.81 3aet n ILE 209 Cb 0.23 -1.19 -0.03 0.00 -1.74 0.00 0.00 39.64 36.91 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 -3.66 4.52 0.40 6.28 0.41 -1.04 -4.79 118.70 120.83 3aet s GLU 210 Ca 0.52 1.59 -0.25 0.00 -0.41 0.00 0.00 54.97 56.42 3aet s GLU 210 Cb 0.42 -3.39 -0.11 0.00 -1.78 0.00 0.00 34.13 29.27 3aet s GLU 210 CO -0.08 -0.10 1.09 -0.35 -0.49 0.00 0.00 175.26 175.32 3aet n PRO 211 N 3.70 1.53 -3.43 0.39 -0.04 -1.26 -4.83 135.00 131.06 3aet n PRO 211 Ca 0.07 0.54 -0.28 0.00 -0.04 0.00 0.00 63.50 63.79 3aet n PRO 211 Cb 0.49 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 3aet n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3aet s ALA 212 N -1.22 3.67 0.03 0.55 0.00 -1.26 -4.42 121.76 119.10 3aet s ALA 212 Ca 0.62 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.04 3aet s ALA 212 Cb -0.56 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 3aet s ALA 212 CO 0.58 0.30 -0.22 0.08 0.00 0.00 0.00 175.76 176.50 3aet s VAL 213 N -2.02 1.74 0.35 0.00 1.01 -0.19 -4.84 120.40 116.46 3aet s VAL 213 Ca 0.43 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3aet s VAL 213 Cb -0.11 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.80 3aet s VAL 213 CO 0.29 0.31 0.52 0.61 0.00 0.00 0.00 175.10 176.83 3aet n GLY 214 N 2.05 1.98 0.31 4.51 0.00 -1.25 -1.16 105.19 111.62 3aet n GLY 214 Ca -0.17 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.42 3aet n GLY 214 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3aet h PRO 215 N 0.00 0.00 -0.66 1.61 0.11 -1.71 -2.60 132.00 128.75 3aet h PRO 215 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3aet h PRO 215 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3aet h PRO 215 CO 0.37 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.25 3aet n ASN 216 N -4.38 3.84 -4.71 -2.05 5.03 -1.25 -4.59 115.26 107.14 3aet n ASN 216 Ca 0.01 -2.04 -0.42 0.00 0.87 0.00 0.00 54.58 53.00 3aet n ASN 216 Cb 0.27 -0.45 -0.03 0.00 -1.02 0.00 0.00 39.78 38.55 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 -1.08 4.13 0.16 3.41 2.01 -0.98 -4.27 115.64 119.02 3aet s THR 217 Ca 0.45 1.52 0.06 0.00 0.31 0.00 0.00 61.69 64.03 3aet s THR 217 Cb 0.24 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 3aet s THR 217 CO 0.29 0.11 0.10 -0.13 -0.69 0.00 0.00 174.62 174.31 3aet s ARG 218 N 1.09 2.77 0.02 4.92 1.81 -1.12 -1.08 118.95 127.36 3aet s ARG 218 Ca 0.58 -0.92 -0.16 0.00 -1.72 0.00 0.00 55.73 53.51 3aet s ARG 218 Cb -0.28 -2.57 0.03 0.00 -0.45 0.00 0.00 34.95 31.67 3aet s ARG 218 CO 0.29 0.48 0.34 -0.59 -0.68 0.00 0.00 175.30 175.14 3aet s PHE 219 N -1.73 -0.18 0.06 -0.53 -0.71 -0.86 -2.10 117.98 111.93 3aet s PHE 219 Ca 0.30 0.15 0.05 0.00 -1.04 0.00 0.00 56.93 56.39 3aet s PHE 219 Cb -0.10 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 3aet s PHE 219 CO 0.22 -0.49 -0.15 -1.50 -1.34 0.00 0.00 175.22 171.96 3aet s ILE 220 N -2.16 1.17 -0.27 -4.49 2.07 -0.22 -0.53 121.20 116.77 3aet s ILE 220 Ca -0.08 -1.23 -0.20 0.00 -1.41 0.00 0.00 60.65 57.74 3aet s ILE 220 Cb -0.02 -1.10 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 3aet s ILE 220 CO -0.01 -0.13 0.59 -0.76 -1.91 0.00 0.00 174.94 172.72 3aet s LEU 221 N -1.56 4.09 0.38 8.50 1.43 -1.26 -1.19 118.68 129.07 3aet s LEU 221 Ca -0.00 0.56 0.28 0.00 -1.03 0.00 0.00 54.13 53.94 3aet s LEU 221 Cb -0.09 -2.78 0.99 0.00 0.03 0.00 0.00 46.19 44.34 3aet s LEU 221 CO 0.02 -0.38 1.80 0.00 0.23 0.00 0.00 176.35 178.03 3aet h ALA 222 N 8.02 1.00 -3.68 4.21 0.00 -0.51 -3.46 119.26 124.84 3aet h ALA 222 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 3aet h ALA 222 Cb 1.13 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.62 3aet h ALA 222 CO 0.76 0.00 -0.72 -0.65 0.00 0.00 0.00 179.25 178.64 3aet s GLN 223 N -3.39 0.02 0.11 0.00 -1.52 -1.23 -4.72 119.66 108.92 3aet s GLN 223 Ca 0.05 0.04 0.22 0.00 -1.95 0.00 0.00 55.36 53.72 3aet s GLN 223 Cb 0.09 -0.10 0.88 0.00 -0.22 0.00 0.00 33.01 33.67 3aet s GLN 223 CO 0.52 -0.04 1.68 -0.35 -0.25 0.00 0.00 175.29 176.85 3aet n PRO 224 N 3.39 0.10 -1.85 2.91 -0.04 -1.26 -3.88 135.00 134.37 3aet n PRO 224 Ca -0.17 0.24 -0.38 0.00 -0.04 0.00 0.00 63.50 63.15 3aet n PRO 224 Cb 0.57 -1.66 0.03 0.00 -0.04 0.00 0.00 33.50 32.40 3aet n PRO 224 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3aet n PHE 225 N -1.84 2.82 -2.51 0.54 -1.74 -1.26 -4.69 117.46 108.78 3aet n PHE 225 Ca 0.04 -2.30 -0.17 0.00 -0.56 0.00 0.00 57.45 54.47 3aet n PHE 225 Cb 0.27 -1.22 0.02 0.00 1.52 0.00 0.00 39.48 40.07 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 -0.38 3.28 0.11 5.98 4.77 -1.25 -4.33 117.00 125.18 3aet n LEU 226 Ca 0.54 -4.35 -0.13 0.00 -0.03 0.00 0.00 56.01 52.03 3aet n LEU 226 Cb 0.28 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3aet n LEU 226 CO 0.50 1.83 0.64 1.23 -1.33 0.00 0.00 177.39 180.26 3aet h GLY 227 N 2.64 -0.64 1.62 -0.72 0.00 -1.94 -1.75 103.07 102.30 3aet h GLY 227 Ca 0.12 0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.73 3aet h GLY 227 CO 0.63 -0.25 -0.41 0.83 0.00 0.00 0.00 176.54 177.34 3aet h GLU 228 N -0.55 0.42 -0.03 4.80 4.39 -1.90 -2.16 114.58 119.54 3aet h GLU 228 Ca 0.03 -0.21 -0.16 0.00 0.34 0.00 0.00 59.36 59.36 3aet h GLU 228 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3aet h GLU 228 CO -0.20 0.76 -0.72 1.15 -1.16 0.00 0.00 179.01 178.84 3aet h THR 229 N 0.35 1.45 0.72 1.13 2.02 -1.77 0.18 112.91 116.98 3aet h THR 229 Ca 0.03 -2.29 -0.04 0.00 0.77 0.00 0.00 66.41 64.89 3aet h THR 229 Cb 0.87 2.22 0.01 0.00 -1.74 0.00 0.00 68.15 69.51 3aet h THR 229 CO 0.07 0.67 -0.34 0.74 0.37 0.00 0.00 175.52 177.02 3aet h THR 230 N 0.12 0.00 -0.68 3.16 2.02 -1.27 -0.66 112.91 115.60 3aet h THR 230 Ca -0.02 -0.18 0.15 0.00 0.77 0.00 0.00 66.41 67.13 3aet h THR 230 Cb 1.27 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.55 3aet h THR 230 CO 0.11 0.00 -0.11 0.61 0.37 0.00 0.00 175.52 176.50 3aet n GLY 231 N -0.90 -1.07 0.19 2.16 0.00 -0.82 -0.24 105.19 104.52 3aet n GLY 231 Ca -0.12 0.71 -0.17 0.00 0.00 0.00 0.00 46.02 46.43 3aet n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aet h ALA 232 N 1.36 0.21 -0.66 4.61 0.00 -0.55 -2.36 119.26 121.86 3aet h ALA 232 Ca 0.35 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3aet h ALA 232 Cb 0.61 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3aet h ALA 232 CO -0.68 0.53 0.08 -0.07 0.00 0.00 0.00 179.25 179.12 3aet h LEU 233 N 0.28 1.06 -0.43 0.00 3.38 0.40 -2.82 115.31 117.19 3aet h LEU 233 Ca -0.06 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.72 3aet h LEU 233 Cb 1.35 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 3aet h LEU 233 CO 0.14 1.07 0.03 -0.33 0.09 0.00 0.00 178.44 179.44 3aet h GLU 234 N 1.03 0.14 0.00 1.13 5.08 -0.59 -1.78 114.58 119.58 3aet h GLU 234 Ca 0.20 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3aet h GLU 234 Cb 0.47 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3aet h GLU 234 CO 0.02 0.09 0.01 0.54 -1.00 0.00 0.00 179.01 178.67 3aet n ARG 235 N -5.17 0.06 -0.20 2.33 1.74 -0.89 -0.28 116.66 114.26 3aet n ARG 235 Ca 0.03 0.56 0.07 0.00 -0.77 0.00 0.00 57.85 57.74 3aet n ARG 235 Cb 0.22 -1.71 0.18 0.00 -1.02 0.00 0.00 32.46 30.12 3aet n ARG 235 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3aet n ARG 236 N -1.84 2.67 -0.18 5.56 1.74 -0.70 -4.96 116.66 118.95 3aet n ARG 236 Ca -0.01 -2.11 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 3aet n ARG 236 Cb 0.02 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3aet n ARG 236 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3aet n GLY 237 N 0.76 0.89 3.85 -0.13 0.00 0.62 -4.01 105.19 107.18 3aet n GLY 237 Ca 0.14 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.84 -0.23 4.61 0.00 -1.01 -4.15 121.76 122.82 3aet s ALA 238 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 3aet s ALA 238 Cb 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 3aet s ALA 238 CO 0.00 0.54 0.15 0.15 0.00 0.00 0.00 175.76 176.60 3aet s LYS 239 N -0.82 4.09 0.70 0.00 3.01 -0.24 -3.92 119.74 122.56 3aet s LYS 239 Ca 0.15 -0.26 -0.15 0.00 -1.01 0.00 0.00 55.97 54.70 3aet s LYS 239 Cb -0.12 -3.49 0.02 0.00 -1.01 0.00 0.00 37.83 33.23 3aet s LYS 239 CO 0.04 0.13 1.14 0.50 0.51 0.00 0.00 175.35 177.67 3aet s ARG 240 N 0.86 2.49 -0.24 1.68 3.52 -1.26 -2.03 118.95 123.98 3aet s ARG 240 Ca 0.07 1.51 -0.02 0.00 -0.13 0.00 0.00 55.73 57.16 3aet s ARG 240 Cb -0.13 -1.90 0.02 0.00 -1.56 0.00 0.00 34.95 31.38 3aet s ARG 240 CO 0.03 -1.51 -0.07 0.42 -0.81 0.00 0.00 175.30 173.36 3aet s ILE 241 N -2.26 2.93 0.47 4.11 1.01 0.30 -4.80 121.20 122.96 3aet s ILE 241 Ca 0.69 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 60.24 3aet s ILE 241 Cb -0.23 -2.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 3aet s ILE 241 CO 0.44 0.28 1.02 0.00 0.00 0.00 0.00 174.94 176.68 3aet s ALA 242 N 1.36 2.92 -0.28 9.38 0.00 -1.26 -4.58 121.76 129.31 3aet s ALA 242 Ca 0.02 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.26 3aet s ALA 242 Cb -0.16 -3.23 0.19 0.00 0.00 0.00 0.00 23.12 19.92 3aet s ALA 242 CO -0.05 -0.20 1.34 0.00 0.00 0.00 0.00 175.76 176.85 3aet s ALA 243 N -2.00 -2.12 0.77 0.00 0.00 -1.26 -4.86 121.76 112.29 3aet s ALA 243 Ca 0.65 1.83 -0.11 0.00 0.00 0.00 0.00 51.96 54.34 3aet s ALA 243 Cb -0.15 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.51 3aet s ALA 243 CO 0.19 -0.22 1.09 -1.25 0.00 0.00 0.00 175.76 175.56 3aet s PRO 244 N -0.83 2.29 0.46 0.00 0.04 -1.26 -4.77 135.00 130.93 3aet s PRO 244 Ca 0.08 1.09 -0.20 0.00 0.04 0.00 0.00 61.00 62.00 3aet s PRO 244 Cb -0.02 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 3aet s PRO 244 CO -0.09 -1.60 1.00 -0.06 0.04 0.00 0.00 177.00 176.29 3aet s PHE 245 N -2.94 3.15 -1.14 0.56 0.08 -1.26 -4.35 117.98 112.08 3aet s PHE 245 Ca 0.61 1.59 -0.18 0.00 0.12 0.00 0.00 56.93 59.07 3aet s PHE 245 Cb -0.17 -2.96 0.11 0.00 -0.57 0.00 0.00 43.02 39.43 3aet s PHE 245 CO 0.56 -0.49 1.46 -1.25 -0.10 0.00 0.00 175.22 175.40 3aet s PRO 246 N -3.24 3.85 -0.16 0.24 0.04 -1.26 -4.50 135.00 129.97 3aet s PRO 246 Ca 0.65 -1.93 0.00 0.00 0.04 0.00 0.00 61.00 59.76 3aet s PRO 246 Cb -0.13 -5.24 0.03 0.00 0.04 0.00 0.00 34.50 29.21 3aet s PRO 246 CO 0.17 -2.01 -0.10 -0.06 0.04 0.00 0.00 177.00 175.04 3aet s PHE 247 N 3.32 2.00 0.00 0.56 0.40 -1.26 -2.62 117.98 120.38 3aet s PHE 247 Ca 0.45 -1.19 0.00 0.00 -0.60 0.00 0.00 56.93 55.59 3aet s PHE 247 Cb -0.01 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 42.05 3aet s PHE 247 CO -0.02 -0.65 0.00 0.41 0.70 0.00 0.00 175.22 175.67 3aet n GLY 248 N 4.81 -0.64 0.09 4.36 0.00 -1.26 -3.66 105.19 108.88 3aet n GLY 248 Ca -0.14 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 0.19 -0.25 1.61 4.22 -1.92 -2.09 114.58 116.33 3aet h GLU 249 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3aet h GLU 249 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3aet h GLU 249 CO 0.00 0.22 0.16 1.49 -2.18 0.00 0.00 179.01 178.70 3aet h GLU 250 N 0.11 0.33 0.23 1.92 4.81 -1.97 -0.54 114.58 119.47 3aet h GLU 250 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3aet h GLU 250 Cb 0.09 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3aet h GLU 250 CO -0.01 0.24 -0.46 0.78 -0.73 0.00 0.00 179.01 178.83 3aet h GLY 251 N 0.33 -1.02 0.72 1.92 0.00 -1.62 -0.43 103.07 102.96 3aet h GLY 251 Ca 0.09 0.55 0.10 0.00 0.00 0.00 0.00 47.33 48.07 3aet h GLY 251 CO -0.02 -0.30 0.58 -0.84 0.00 0.00 0.00 176.54 175.97 3aet h THR 252 N -0.77 0.97 0.65 4.70 2.02 -1.28 0.26 112.91 119.47 3aet h THR 252 Ca -0.01 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 3aet h THR 252 Cb 0.75 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3aet h THR 252 CO -0.20 0.17 -0.31 0.74 0.37 0.00 0.00 175.52 176.29 3aet h THR 253 N 0.91 0.00 -0.98 3.16 2.02 -0.66 -0.78 112.91 116.58 3aet h THR 253 Ca 0.42 -0.12 0.18 0.00 0.77 0.00 0.00 66.41 67.66 3aet h THR 253 Cb 0.39 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.71 3aet h THR 253 CO -0.18 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.25 3aet h LEU 254 N -0.98 0.73 0.14 2.58 -0.00 -0.90 0.57 115.31 117.45 3aet h LEU 254 Ca -0.09 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 3aet h LEU 254 Cb 0.67 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 3aet h LEU 254 CO 0.15 0.30 -0.07 -0.25 -0.00 0.00 0.00 178.44 178.57 3aet h TRP 255 N 0.73 -0.18 0.84 1.13 7.01 -0.90 0.13 115.95 124.73 3aet h TRP 255 Ca 0.53 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.49 3aet h TRP 255 Cb 0.87 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 3aet h TRP 255 CO -0.00 -0.07 -0.47 -0.07 -2.79 0.00 0.00 178.44 175.04 3aet h LEU 256 N -0.23 -1.15 -0.80 0.65 3.38 -0.27 -2.92 115.31 113.97 3aet h LEU 256 Ca -0.02 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.13 3aet h LEU 256 Cb 0.18 0.32 -0.13 0.00 0.09 0.00 0.00 40.66 41.13 3aet h LEU 256 CO 0.03 -0.75 -0.31 1.17 0.09 0.00 0.00 178.44 178.67 3aet n LYS 257 N -5.44 -0.19 -0.21 1.13 3.00 0.19 -0.57 118.16 116.08 3aet n LYS 257 Ca -0.15 1.23 -0.01 0.00 -0.00 0.00 0.00 58.31 59.38 3aet n LYS 257 Cb 0.49 -1.82 0.10 0.00 0.00 0.00 0.00 35.03 33.80 3aet n LYS 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3aet h ALA 258 N 1.08 0.83 0.20 3.14 0.00 -0.70 0.37 119.26 124.18 3aet h ALA 258 Ca 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3aet h ALA 258 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3aet h ALA 258 CO -0.79 -0.08 -0.10 0.28 0.00 0.00 0.00 179.25 178.56 3aet h VAL 259 N 0.54 0.88 -0.75 0.00 2.07 -0.64 -2.35 116.25 115.99 3aet h VAL 259 Ca 0.30 -0.46 0.13 0.00 0.82 0.00 0.00 66.70 67.49 3aet h VAL 259 Cb 0.28 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3aet h VAL 259 CO -0.24 0.10 0.50 0.00 0.02 0.00 0.00 177.57 177.96 3aet h ALA 260 N 0.24 2.02 0.58 1.67 0.00 -0.43 -0.94 119.26 122.41 3aet h ALA 260 Ca -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3aet h ALA 260 Cb 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3aet h ALA 260 CO 0.05 -0.21 -0.28 -0.44 0.00 0.00 0.00 179.25 178.36 3aet h ASP 261 N 0.49 -0.66 0.00 0.00 3.32 -0.25 0.41 116.42 119.73 3aet h ASP 261 Ca 0.37 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3aet h ASP 261 Cb 0.74 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.46 3aet h ASP 261 CO -0.13 -0.42 0.15 0.00 -1.72 0.00 0.00 179.24 177.13 3aet h ALA 262 N -1.53 1.12 -0.24 3.45 0.00 -0.78 0.46 119.26 121.75 3aet h ALA 262 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3aet h ALA 262 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3aet h ALA 262 CO 0.13 -0.12 0.00 0.66 0.00 0.00 0.00 179.25 179.92 3aet n TYR 263 N -2.44 0.31 -3.44 0.00 4.01 -0.44 -5.00 117.16 110.16 3aet n TYR 263 Ca -0.02 -0.39 -0.20 0.00 -0.16 0.00 0.00 57.90 57.14 3aet n TYR 263 Cb 0.19 -0.02 0.08 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.42 -0.37 3.79 2.72 0.00 0.16 -4.99 105.19 106.91 3aet n GLY 264 Ca 0.09 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.30 4.05 0.34 1.61 1.01 0.14 -5.00 120.40 119.24 3aet s VAL 265 Ca 0.37 1.54 -0.28 0.00 0.00 0.00 0.00 61.98 63.61 3aet s VAL 265 Cb -0.16 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 3aet s VAL 265 CO 0.66 -0.02 1.29 -0.94 0.00 0.00 0.00 175.10 176.10 3aet s SER 266 N -1.73 6.72 0.00 3.32 1.04 -1.26 -4.76 113.70 117.03 3aet s SER 266 Ca 0.56 2.66 0.01 0.00 0.48 0.00 0.00 55.95 59.66 3aet s SER 266 Cb -0.18 -2.65 0.03 0.00 0.10 0.00 0.00 66.02 63.32 3aet s SER 266 CO 0.23 -0.57 0.92 0.00 0.98 0.00 0.00 173.24 174.80 3aet n ALA 267 N 0.70 1.13 -0.11 5.32 0.00 -1.26 -1.67 120.51 124.62 3aet n ALA 267 Ca 0.01 -0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3aet n ALA 267 Cb 0.42 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.74 3aet n ALA 267 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3aet n GLU 268 N -1.40 0.66 0.17 0.00 2.13 -1.26 -2.86 120.64 118.08 3aet n GLU 268 Ca 0.00 0.20 0.02 0.00 0.66 0.00 0.00 57.16 58.04 3aet n GLU 268 Cb 0.01 -1.56 0.34 0.00 0.27 0.00 0.00 31.44 30.50 3aet n GLU 268 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3aet h LYS 269 N -0.14 0.05 0.80 5.31 3.64 -1.88 -1.63 116.57 122.73 3aet h LYS 269 Ca -0.56 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.76 3aet h LYS 269 Cb 1.87 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.70 3aet h LYS 269 CO -0.10 0.40 -0.38 0.35 -2.27 0.00 0.00 179.45 177.45 3aet h PHE 270 N 0.05 -0.99 -0.15 1.91 3.04 -1.49 -1.70 116.94 117.60 3aet h PHE 270 Ca 0.00 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.97 3aet h PHE 270 Cb 0.65 0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 3aet h PHE 270 CO 0.00 -0.62 0.14 0.93 -2.02 0.00 0.00 178.31 176.74 3aet h GLU 271 N -1.24 0.00 -0.01 1.11 4.39 -1.39 -0.01 114.58 117.43 3aet h GLU 271 Ca -0.11 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 3aet h GLU 271 Cb 0.82 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 3aet h GLU 271 CO 0.18 0.00 -0.31 0.00 -1.16 0.00 0.00 179.01 177.72 3aet h ALA 272 N 1.87 0.05 -0.30 3.43 0.00 -1.30 -3.05 119.26 119.96 3aet h ALA 272 Ca 0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3aet h ALA 272 Cb 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3aet h ALA 272 CO -0.00 0.13 -0.01 0.28 0.00 0.00 0.00 179.25 179.66 3aet h VAL 273 N -0.40 1.26 0.00 0.00 2.07 -0.40 -3.29 116.25 115.48 3aet h VAL 273 Ca -0.04 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3aet h VAL 273 Cb 1.05 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3aet h VAL 273 CO 0.06 0.31 -0.20 0.00 0.02 0.00 0.00 177.57 177.75 3aet h THR 274 N 0.32 0.00 0.82 2.57 1.03 -1.18 -3.40 112.91 113.07 3aet h THR 274 Ca 0.08 -0.57 -0.04 0.00 -0.01 0.00 0.00 66.41 65.87 3aet h THR 274 Cb 0.45 1.44 0.01 0.00 -1.07 0.00 0.00 68.15 68.97 3aet h THR 274 CO 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 175.52 175.12 3aet h ALA 275 N 2.43 -1.29 0.21 0.00 0.00 -1.60 -2.70 119.26 116.30 3aet h ALA 275 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3aet h ALA 275 Cb 0.79 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3aet h ALA 275 CO 0.00 -1.22 -0.46 0.00 0.00 0.00 0.00 179.25 177.57 3aet h ALA 276 N -1.44 -0.89 -1.00 0.00 0.00 -1.80 -2.85 119.26 111.28 3aet h ALA 276 Ca -0.11 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.86 3aet h ALA 276 Cb 0.87 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 19.30 3aet h ALA 276 CO 0.17 -1.06 0.61 -1.35 0.00 0.00 0.00 179.25 177.62 3aet h PRO 277 N -0.76 0.80 -0.52 0.00 0.11 -1.81 -2.41 132.00 127.41 3aet h PRO 277 Ca -0.01 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 3aet h PRO 277 Cb 0.74 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 3aet h PRO 277 CO -0.21 0.53 0.07 0.00 -0.21 0.00 0.00 178.00 178.19 3aet h ARG 278 N 0.83 0.83 -0.03 1.05 3.08 -1.24 -1.84 114.38 117.06 3aet h ARG 278 Ca 0.55 -0.20 -0.24 0.00 0.07 0.00 0.00 59.98 60.17 3aet h ARG 278 Cb 0.78 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.73 3aet h ARG 278 CO -0.35 0.79 -0.93 0.00 -1.07 0.00 0.00 179.97 178.41 3aet h ALA 279 N 1.29 0.29 -0.81 0.04 0.00 -1.40 -1.06 119.26 117.60 3aet h ALA 279 Ca 0.16 -0.68 0.10 0.00 0.00 0.00 0.00 54.91 54.50 3aet h ALA 279 Cb 0.37 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3aet h ALA 279 CO 0.01 0.74 0.53 -0.09 0.00 0.00 0.00 179.25 180.43 3aet h ARG 280 N 0.35 0.72 0.10 0.00 2.43 -1.12 -2.63 114.38 114.22 3aet h ARG 280 Ca -0.09 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3aet h ARG 280 Cb 1.57 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3aet h ARG 280 CO 0.18 0.47 -0.05 0.00 -1.51 0.00 0.00 179.97 179.06 3aet h ALA 281 N 1.60 -0.13 -0.76 2.80 0.00 -1.16 -2.80 119.26 118.81 3aet h ALA 281 Ca 0.37 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.29 3aet h ALA 281 Cb 0.46 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3aet h ALA 281 CO -0.15 -0.16 0.53 1.57 0.00 0.00 0.00 179.25 181.05 3aet h LYS 282 N -0.97 0.11 -0.00 0.00 2.10 -1.03 0.16 116.57 116.94 3aet h LYS 282 Ca -0.01 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3aet h LYS 282 Cb 0.44 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 3aet h LYS 282 CO 0.02 0.07 -0.00 -0.22 -2.00 0.00 0.00 179.45 177.32 3aet h LYS 283 N 0.11 0.01 -1.00 0.07 3.64 -1.57 -1.92 116.57 115.91 3aet h LYS 283 Ca 0.37 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.88 3aet h LYS 283 Cb 1.29 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.02 3aet h LYS 283 CO -0.04 0.44 0.63 0.00 -2.27 0.00 0.00 179.45 178.20 3aet h ALA 284 N 0.56 1.57 -0.30 5.00 0.00 -0.43 -1.34 119.26 124.32 3aet h ALA 284 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3aet h ALA 284 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3aet h ALA 284 CO 0.00 0.15 -0.28 0.82 0.00 0.00 0.00 179.25 179.94 3aet h ILE 285 N 0.93 1.28 -0.83 0.00 2.04 -1.25 -3.13 117.51 116.54 3aet h ILE 285 Ca 0.51 -1.37 0.21 0.00 1.00 0.00 0.00 64.86 65.21 3aet h ILE 285 Cb 0.59 1.36 -0.13 0.00 -0.74 0.00 0.00 36.82 37.89 3aet h ILE 285 CO -0.29 0.44 0.17 0.00 0.00 0.00 0.00 178.15 178.47 3aet h ALA 286 N 1.17 1.10 -1.20 1.87 0.00 -0.40 -0.16 119.26 121.64 3aet h ALA 286 Ca 0.07 0.22 0.35 0.00 0.00 0.00 0.00 54.91 55.54 3aet h ALA 286 Cb 0.75 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3aet h ALA 286 CO 0.06 -0.43 0.86 0.00 0.00 0.00 0.00 179.25 179.74 3aet h ALA 287 N 1.74 3.11 0.00 0.00 0.00 -1.54 -1.80 119.26 120.77 3aet h ALA 287 Ca 0.50 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.18 3aet h ALA 287 Cb 0.95 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3aet h ALA 287 CO -0.64 -1.46 -2.19 0.72 0.00 0.00 0.00 179.25 175.69 3aet n HIS 288 N -4.19 0.02 -0.34 0.00 8.25 -0.10 -4.47 115.22 114.39 3aet n HIS 288 Ca 0.26 0.01 0.31 0.00 -0.26 0.00 0.00 57.72 58.04 3aet n HIS 288 Cb 1.25 -0.76 0.55 0.00 1.12 0.00 0.00 29.99 32.15 3aet n HIS 288 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3aet n LEU 289 N -2.52 0.26 0.36 2.41 4.77 -0.68 -1.88 117.00 119.72 3aet n LEU 289 Ca -0.19 1.37 -0.14 0.00 -0.03 0.00 0.00 56.01 57.02 3aet n LEU 289 Cb 0.87 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3aet n LEU 289 CO 0.44 -1.52 0.49 -0.08 -1.33 0.00 0.00 177.39 175.39 3aet h GLU 290 N 0.00 -0.88 0.00 3.23 4.57 -1.78 -1.83 114.58 117.89 3aet h GLU 290 Ca 0.76 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 59.00 3aet h GLU 290 Cb 2.21 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 31.00 3aet h GLU 290 CO -0.57 -0.59 0.00 1.79 -1.18 0.00 0.00 179.01 178.46 3aet h THR 291 N -0.97 0.00 0.04 0.32 1.35 -1.69 -3.31 112.91 108.65 3aet h THR 291 Ca -0.09 -0.48 -0.33 0.00 -0.55 0.00 0.00 66.41 64.96 3aet h THR 291 Cb 0.70 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 68.54 3aet h THR 291 CO 0.15 0.00 -1.94 0.18 -0.25 0.00 0.00 175.52 173.66 3aet n LEU 292 N -3.04 1.46 -4.70 3.87 4.32 -0.89 -4.81 117.00 113.21 3aet n LEU 292 Ca 0.01 0.26 -0.42 0.00 -0.02 0.00 0.00 56.01 55.83 3aet n LEU 292 Cb 0.29 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 41.80 3aet n LEU 292 CO 0.26 0.59 1.34 -0.89 -1.22 0.00 0.00 177.39 177.47 3aet s THR 293 N -2.57 2.76 0.00 -5.08 2.01 -0.70 -2.65 115.64 109.42 3aet s THR 293 Ca -0.13 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.22 3aet s THR 293 Cb 0.07 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.36 3aet s THR 293 CO 0.79 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 3aet n GLY 294 N 3.99 2.93 3.75 4.40 0.00 0.86 -4.98 105.19 116.12 3aet n GLY 294 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.50 4.53 0.00 1.61 -0.14 -1.08 -4.44 119.74 119.72 3aet s LYS 295 Ca 0.00 1.88 -0.25 0.00 -1.36 0.00 0.00 55.97 56.24 3aet s LYS 295 Cb 0.00 -3.21 -0.05 0.00 -1.68 0.00 0.00 37.83 32.89 3aet s LYS 295 CO 0.00 -0.01 0.76 -1.54 -0.76 0.00 0.00 175.35 173.80 3aet s SER 296 N -0.20 7.15 -0.05 2.83 1.04 -1.26 -0.41 113.70 122.80 3aet s SER 296 Ca 0.50 1.38 -0.01 0.00 0.48 0.00 0.00 55.95 58.30 3aet s SER 296 Cb -0.33 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.30 3aet s SER 296 CO 0.39 -0.05 0.02 -0.22 0.98 0.00 0.00 173.24 174.36 3aet s LEU 297 N 0.30 3.65 0.01 2.42 2.96 0.24 -1.43 118.68 126.83 3aet s LEU 297 Ca 0.39 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.46 3aet s LEU 297 Cb -0.20 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3aet s LEU 297 CO 0.22 0.33 -0.14 0.12 -1.32 0.00 0.00 176.35 175.56 3aet s PHE 298 N -1.01 1.25 -0.10 5.38 5.36 -0.27 -0.91 117.98 127.68 3aet s PHE 298 Ca 0.17 -0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 55.84 3aet s PHE 298 Cb -0.12 -0.78 0.04 0.00 -0.34 0.00 0.00 43.02 41.82 3aet s PHE 298 CO 0.07 0.01 0.02 -1.64 -1.46 0.00 0.00 175.22 172.21 3aet s MET 299 N -0.67 0.51 0.81 10.12 -1.94 -0.21 -0.19 119.30 127.75 3aet s MET 299 Ca 0.04 0.03 -0.11 0.00 -1.71 0.00 0.00 55.69 53.93 3aet s MET 299 Cb -0.06 -1.19 0.08 0.00 2.01 0.00 0.00 34.83 35.66 3aet s MET 299 CO 0.00 -0.39 1.09 -0.06 -0.01 0.00 0.00 175.02 175.65 3aet s PHE 300 N 1.98 2.68 0.28 -0.03 0.08 -0.73 0.21 117.98 122.46 3aet s PHE 300 Ca 0.04 1.24 -0.28 0.00 0.12 0.00 0.00 56.93 58.05 3aet s PHE 300 Cb -0.13 -3.11 -0.09 0.00 -0.57 0.00 0.00 43.02 39.12 3aet s PHE 300 CO -0.06 -1.91 0.95 -1.25 -0.10 0.00 0.00 175.22 172.86 3aet s PRO 301 N -5.06 4.71 0.44 0.24 0.04 -1.21 -4.58 135.00 129.58 3aet s PRO 301 Ca 0.61 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3aet s PRO 301 Cb -0.16 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3aet s PRO 301 CO 0.55 0.38 0.00 -0.25 0.04 0.00 0.00 177.00 177.72 3aet n ASP 302 N 1.02 -3.80 -0.00 6.66 8.00 -1.26 -4.84 116.55 122.33 3aet n ASP 302 Ca -0.00 0.85 0.04 0.00 0.71 0.00 0.00 54.79 56.39 3aet n ASP 302 Cb 0.48 3.56 -0.06 0.00 -0.02 0.00 0.00 41.12 45.08 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 -3.41 2.48 0.00 -2.24 3.41 -1.26 -4.48 113.62 108.12 3aet n SER 303 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3aet n SER 303 Cb 0.00 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 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 -1.67 -0.08 0.00 4.33 6.02 -1.26 -4.67 117.38 120.05 3aet n GLN 304 Ca -0.01 0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.13 3aet n GLN 304 Cb 0.20 -2.90 0.32 0.00 1.02 0.00 0.00 30.24 28.89 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 2.04 0.09 1.08 4.77 -1.26 -4.49 117.00 119.23 3aet n LEU 305 Ca 0.00 -0.68 -0.12 0.00 -0.03 0.00 0.00 56.01 55.18 3aet n LEU 305 Cb 0.02 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3aet n LEU 305 CO 0.00 0.34 0.72 -0.33 -1.33 0.00 0.00 177.39 176.80 3aet h GLU 306 N 3.11 -0.36 0.33 3.23 3.07 -1.89 -2.44 114.58 119.63 3aet h GLU 306 Ca 0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 3aet h GLU 306 Cb 0.70 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 3aet h GLU 306 CO 0.00 -0.24 -0.22 0.82 -1.40 0.00 0.00 179.01 177.97 3aet h ILE 307 N -0.37 0.53 -0.38 3.13 2.04 -1.91 0.84 117.51 121.39 3aet h ILE 307 Ca 0.04 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.81 3aet h ILE 307 Cb 0.41 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3aet h ILE 307 CO -0.14 0.00 -0.14 -0.65 0.00 0.00 0.00 178.15 177.22 3aet h PRO 308 N -0.54 0.68 -0.20 2.37 0.11 -1.85 0.31 132.00 132.88 3aet h PRO 308 Ca -0.03 -0.23 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 3aet h PRO 308 Cb 0.46 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3aet h PRO 308 CO 0.02 0.79 0.00 -0.07 -0.21 0.00 0.00 178.00 178.53 3aet h LEU 309 N 0.62 0.35 -0.97 2.35 3.38 -1.39 0.12 115.31 119.76 3aet h LEU 309 Ca 0.10 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 57.88 3aet h LEU 309 Cb 0.59 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 3aet h LEU 309 CO 0.04 0.57 0.60 0.00 0.09 0.00 0.00 178.44 179.74 3aet h ALA 310 N 0.79 1.44 -0.22 1.53 0.00 -0.69 0.37 119.26 122.49 3aet h ALA 310 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3aet h ALA 310 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3aet h ALA 310 CO 0.01 0.22 0.01 -0.09 0.00 0.00 0.00 179.25 179.40 3aet h ARG 311 N 0.97 0.32 0.06 0.00 1.12 0.14 -2.00 114.38 115.00 3aet h ARG 311 Ca 0.48 -0.05 -0.16 0.00 -1.11 0.00 0.00 59.98 59.14 3aet h ARG 311 Cb 0.45 -0.06 0.02 0.00 -0.01 0.00 0.00 29.97 30.37 3aet h ARG 311 CO -0.26 0.34 -0.67 0.35 -3.11 0.00 0.00 179.97 176.62 3aet h PHE 312 N 0.31 0.55 -0.33 2.20 3.57 0.11 -3.20 116.94 120.17 3aet h PHE 312 Ca 0.07 -0.35 -0.10 0.00 3.53 0.00 0.00 57.97 61.13 3aet h PHE 312 Cb 0.20 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3aet h PHE 312 CO 0.00 1.21 -0.22 -0.07 -2.23 0.00 0.00 178.31 177.00 3aet h LEU 313 N -0.26 0.63 0.06 0.59 3.38 -0.10 -1.05 115.31 118.56 3aet h LEU 313 Ca -0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3aet h LEU 313 Cb 1.44 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3aet h LEU 313 CO 0.13 0.84 -0.03 0.00 0.09 0.00 0.00 178.44 179.47 3aet h ALA 314 N 1.21 -0.08 -0.08 1.53 0.00 -1.52 -1.97 119.26 118.35 3aet h ALA 314 Ca 0.08 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3aet h ALA 314 Cb 0.68 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3aet h ALA 314 CO 0.05 -0.24 -0.23 0.00 0.00 0.00 0.00 179.25 178.83 3aet h ARG 315 N -0.68 0.29 0.00 0.00 3.08 -1.54 -0.41 114.38 115.12 3aet h ARG 315 Ca -0.01 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3aet h ARG 315 Cb 0.58 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3aet h ARG 315 CO 0.01 0.83 -1.20 0.39 -1.07 0.00 0.00 179.97 178.93 3aet n GLU 316 N -4.51 0.32 0.00 0.04 1.02 -0.40 -4.38 120.64 112.73 3aet n GLU 316 Ca -0.08 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3aet n GLU 316 Cb 0.44 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.14 -0.45 3.87 0.00 0.00 -0.17 -3.06 105.19 105.23 3aet n GLY 318 Ca 0.00 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.88 3.39 -0.12 1.61 -1.94 -1.03 -0.10 119.30 115.23 3aet s MET 319 Ca 0.30 -0.21 -0.29 0.00 -1.71 0.00 0.00 55.69 53.78 3aet s MET 319 Cb -0.13 -3.12 -0.01 0.00 2.01 0.00 0.00 34.83 33.57 3aet s MET 319 CO 0.73 0.75 1.05 0.15 -0.01 0.00 0.00 175.02 177.69 3aet s LYS 320 N -1.25 4.38 0.17 2.03 1.02 0.45 -4.18 119.74 122.37 3aet s LYS 320 Ca 0.18 1.43 -0.26 0.00 0.02 0.00 0.00 55.97 57.34 3aet s LYS 320 Cb -0.12 -3.57 -0.08 0.00 -0.52 0.00 0.00 37.83 33.54 3aet s LYS 320 CO 0.07 -0.39 0.82 0.95 -0.92 0.00 0.00 175.35 175.88 3aet s THR 321 N 2.26 4.33 0.00 2.17 -4.23 -1.26 0.82 115.64 119.74 3aet s THR 321 Ca 0.49 1.79 0.00 0.00 -1.18 0.00 0.00 61.69 62.79 3aet s THR 321 Cb -0.19 -4.18 0.00 0.00 1.34 0.00 0.00 72.50 69.47 3aet s THR 321 CO 0.17 0.50 0.00 0.35 -0.54 0.00 0.00 174.62 175.10 3aet n THR 322 N 1.69 0.00 -3.96 3.99 -2.24 -0.09 -4.73 114.28 108.94 3aet n THR 322 Ca -0.04 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.39 3aet n THR 322 Cb 0.48 -0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 3aet n THR 322 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3aet s GLU 323 N 0.00 3.19 -0.32 -0.78 2.12 -1.25 -1.85 118.70 119.81 3aet s GLU 323 Ca 0.00 -0.74 -0.09 0.00 0.36 0.00 0.00 54.97 54.50 3aet s GLU 323 Cb 0.00 -2.91 0.01 0.00 0.26 0.00 0.00 34.13 31.48 3aet s GLU 323 CO 0.00 -0.24 0.15 0.42 -0.54 0.00 0.00 175.26 175.05 3aet s ILE 324 N 1.41 4.47 -0.03 -3.70 -1.09 -0.94 -1.04 121.20 120.28 3aet s ILE 324 Ca 0.05 -0.59 0.02 0.00 -2.23 0.00 0.00 60.65 57.90 3aet s ILE 324 Cb -0.14 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3aet s ILE 324 CO -0.06 -0.01 -0.07 0.00 -1.23 0.00 0.00 174.94 173.57 3aet s ALA 325 N 1.57 2.97 0.02 9.38 0.00 0.13 -2.69 121.76 133.15 3aet s ALA 325 Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3aet s ALA 325 Cb -0.18 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3aet s ALA 325 CO 0.06 0.59 -0.08 -0.08 0.00 0.00 0.00 175.76 176.25 3aet s THR 326 N -0.89 0.56 0.32 0.00 -1.32 0.13 -3.30 115.64 111.15 3aet s THR 326 Ca 0.14 -0.76 0.12 0.00 -1.21 0.00 0.00 61.69 59.99 3aet s THR 326 Cb -0.11 -0.56 0.04 0.00 -1.51 0.00 0.00 72.50 70.36 3aet s THR 326 CO 0.04 -0.15 1.73 1.55 -2.21 0.00 0.00 174.62 175.58 3aet h PRO 327 N 5.11 0.00 -2.81 7.08 0.13 -1.85 0.34 132.00 140.01 3aet h PRO 327 Ca -0.33 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.67 3aet h PRO 327 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 3aet h PRO 327 CO 0.45 0.48 -0.26 0.12 -0.23 0.00 0.00 178.00 178.56 3aet s PHE 328 N -3.91 -0.41 -0.28 1.56 5.36 -1.26 -3.53 117.98 115.51 3aet s PHE 328 Ca -0.02 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 56.94 3aet s PHE 328 Cb 0.13 0.14 0.08 0.00 -0.34 0.00 0.00 43.02 43.04 3aet s PHE 328 CO 0.74 -0.23 0.00 -1.17 -1.46 0.00 0.00 175.22 173.10 3aet s LEU 329 N 0.05 3.08 -0.48 6.12 2.96 -1.26 -4.88 118.68 124.27 3aet s LEU 329 Ca -0.01 -1.52 -0.25 0.00 -0.22 0.00 0.00 54.13 52.13 3aet s LEU 329 Cb -0.03 -1.24 0.03 0.00 0.50 0.00 0.00 46.19 45.45 3aet s LEU 329 CO 0.01 -0.31 0.92 -2.28 -1.32 0.00 0.00 176.35 173.37 3aet s HIS 330 N 1.31 2.90 0.19 5.38 5.65 -1.26 -4.93 115.29 124.52 3aet s HIS 330 Ca 0.01 0.27 -0.12 0.00 0.25 0.00 0.00 55.06 55.47 3aet s HIS 330 Cb -0.19 -3.97 0.18 0.00 -1.18 0.00 0.00 32.58 27.43 3aet s HIS 330 CO -0.10 -1.15 1.77 0.87 -0.65 0.00 0.00 174.74 175.48 3aet h LYS 331 N 9.13 0.46 -0.26 2.88 1.57 -1.98 0.84 116.57 129.21 3aet h LYS 331 Ca -0.25 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.34 3aet h LYS 331 Cb 1.08 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 3aet h LYS 331 CO 1.04 0.30 -0.52 0.00 -0.57 0.00 0.00 179.45 179.70 3aet h ALA 332 N 1.32 0.60 0.12 3.86 0.00 -2.01 -3.16 119.26 119.99 3aet h ALA 332 Ca 0.25 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 3aet h ALA 332 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3aet h ALA 332 CO -0.20 0.68 -0.84 0.82 0.00 0.00 0.00 179.25 179.71 3aet h ILE 333 N 0.57 1.44 0.00 0.00 2.04 -1.88 -3.29 117.51 116.39 3aet h ILE 333 Ca 0.02 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.40 3aet h ILE 333 Cb 1.09 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 40.28 3aet h ILE 333 CO 0.11 0.69 0.00 0.23 0.00 0.00 0.00 178.15 179.18 3aet n MET 334 N -4.16 0.53 0.25 2.37 2.81 0.25 -4.18 117.12 115.01 3aet n MET 334 Ca -0.16 0.03 -0.17 0.00 -1.81 0.00 0.00 57.70 55.58 3aet n MET 334 Cb 0.79 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.71 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 3.16 -1.05 -0.53 3.04 0.00 -1.62 0.02 119.26 122.28 3aet h ALA 335 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3aet h ALA 335 Cb 0.05 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3aet h ALA 335 CO 0.00 -1.13 0.35 -1.35 0.00 0.00 0.00 179.25 177.12 3aet h PRO 336 N -0.92 0.56 0.26 0.00 0.11 -1.85 -1.36 132.00 128.80 3aet h PRO 336 Ca -0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3aet h PRO 336 Cb 0.82 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3aet h PRO 336 CO -0.10 0.37 -0.12 -0.44 -0.21 0.00 0.00 178.00 177.50 3aet h ASP 337 N 0.58 -0.29 -1.15 -2.05 5.19 -1.81 -3.16 116.42 113.71 3aet h ASP 337 Ca 0.22 -0.24 0.39 0.00 -0.62 0.00 0.00 57.03 56.78 3aet h ASP 337 Cb 0.15 0.08 -0.14 0.00 0.18 0.00 0.00 39.33 39.60 3aet h ASP 337 CO -0.06 0.16 0.71 -0.07 -3.12 0.00 0.00 179.24 176.86 3aet h LEU 338 N -0.85 0.35 -1.50 1.55 3.38 -0.65 0.36 115.31 117.95 3aet h LEU 338 Ca -0.04 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3aet h LEU 338 Cb 0.51 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3aet h LEU 338 CO 0.06 -0.19 -0.20 0.00 0.09 0.00 0.00 178.44 178.20 3aet h ALA 339 N 1.74 1.17 -0.02 1.53 0.00 -1.23 -1.53 119.26 120.92 3aet h ALA 339 Ca 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3aet h ALA 339 Cb 2.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3aet h ALA 339 CO -0.52 0.25 -0.08 1.28 0.00 0.00 0.00 179.25 180.18 3aet n LEU 340 N -3.58 2.46 -4.71 0.00 4.77 0.11 -3.86 117.00 112.19 3aet n LEU 340 Ca -0.01 -0.95 -0.41 0.00 -0.03 0.00 0.00 56.01 54.61 3aet n LEU 340 Cb 0.34 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 3aet n LEU 340 CO 0.32 0.43 0.56 -0.22 -1.33 0.00 0.00 177.39 177.16 3aet s LEU 341 N -1.75 4.33 0.31 2.23 0.20 -0.48 -4.74 118.68 118.78 3aet s LEU 341 Ca 0.21 1.43 -0.25 0.00 0.69 0.00 0.00 54.13 56.21 3aet s LEU 341 Cb 0.16 -3.35 -0.15 0.00 -0.43 0.00 0.00 46.19 42.43 3aet s LEU 341 CO 0.29 -0.22 0.58 -0.81 -0.29 0.00 0.00 176.35 175.91 3aet n PRO 342 N 3.99 0.48 0.17 0.98 -0.04 -1.26 -1.85 135.00 137.47 3aet n PRO 342 Ca 0.03 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 3aet n PRO 342 Cb 0.51 -1.34 0.28 0.00 -0.04 0.00 0.00 33.50 32.91 3aet n PRO 342 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3aet h SER 343 N 1.08 0.00 0.00 3.54 0.02 -1.64 -3.23 113.55 113.31 3aet h SER 343 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3aet h SER 343 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 3aet h SER 343 CO 0.55 0.44 0.00 -0.46 -1.14 0.00 0.00 176.83 176.22 3aet n ASN 344 N -3.58 0.24 -4.61 3.07 6.94 -1.26 -4.83 115.26 111.23 3aet n ASN 344 Ca -0.00 -0.85 -0.36 0.00 -0.02 0.00 0.00 54.58 53.35 3aet n ASN 344 Cb 0.54 -0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 37.74 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 -1.44 4.98 0.21 5.53 2.01 -1.22 -4.85 115.64 120.86 3aet s THR 345 Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 3aet s THR 345 Cb 0.00 -3.31 -0.08 0.00 0.01 0.00 0.00 72.50 69.12 3aet s THR 345 CO 0.00 0.37 0.94 0.00 -0.69 0.00 0.00 174.62 175.24 3aet s ALA 346 N 1.02 3.32 -0.07 7.40 0.00 -0.77 -5.01 121.76 127.65 3aet s ALA 346 Ca 0.06 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.66 3aet s ALA 346 Cb -0.14 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3aet s ALA 346 CO 0.04 0.15 -0.18 -0.51 0.00 0.00 0.00 175.76 175.26 3aet s LEU 347 N -0.89 1.88 -0.07 0.00 1.43 -1.26 -2.21 118.68 117.56 3aet s LEU 347 Ca 0.42 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 3aet s LEU 347 Cb -0.25 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 3aet s LEU 347 CO 0.31 0.12 -0.21 -0.89 0.23 0.00 0.00 176.35 175.91 3aet s THR 348 N 0.30 1.79 -0.18 5.49 2.01 -1.10 0.47 115.64 124.43 3aet s THR 348 Ca -0.11 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 60.95 3aet s THR 348 Cb -0.15 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 3aet s THR 348 CO 0.04 0.50 0.02 -0.70 -0.69 0.00 0.00 174.62 173.80 3aet s GLU 349 N 0.22 3.82 3.70 4.92 2.12 0.23 0.20 118.70 133.92 3aet s GLU 349 Ca -0.12 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.78 3aet s GLU 349 Cb -0.15 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.13 3aet s GLU 349 CO 0.06 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.41 3aet n GLY 350 N 3.65 0.42 3.62 -1.50 0.00 0.12 -0.61 105.19 110.89 3aet n GLY 350 Ca -0.17 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 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 0.12 -0.42 1.61 -2.07 -1.04 -4.58 119.66 113.27 3aet s GLN 351 Ca 0.00 -0.05 0.04 0.00 -1.82 0.00 0.00 55.36 53.53 3aet s GLN 351 Cb 0.00 0.05 0.12 0.00 -1.09 0.00 0.00 33.01 32.09 3aet s GLN 351 CO 0.00 -0.05 0.16 0.34 -1.32 0.00 0.00 175.29 174.42 3aet s ASP 352 N -2.24 4.45 0.20 12.60 2.15 -1.23 -2.84 116.67 129.76 3aet s ASP 352 Ca 0.12 -2.54 -0.11 0.00 0.43 0.00 0.00 52.55 50.45 3aet s ASP 352 Cb 0.00 -1.55 0.27 0.00 -0.30 0.00 0.00 42.92 41.34 3aet s ASP 352 CO -0.03 -0.31 1.25 -0.11 -0.17 0.00 0.00 175.17 175.80 3aet n LEU 353 N 3.73 -0.43 -0.10 -1.34 7.94 0.87 0.29 117.00 127.96 3aet n LEU 353 Ca 0.04 1.40 -0.05 0.00 -1.11 0.00 0.00 56.01 56.29 3aet n LEU 353 Cb 0.37 -0.36 0.15 0.00 0.53 0.00 0.00 43.42 44.10 3aet n LEU 353 CO 0.27 -1.29 0.83 -0.33 -1.11 0.00 0.00 177.39 175.76 3aet h GLU 354 N 0.00 0.77 -0.11 1.96 4.39 -1.97 -1.30 114.58 118.33 3aet h GLU 354 Ca 0.32 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3aet h GLU 354 Cb 0.52 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3aet h GLU 354 CO -0.81 0.82 0.03 0.00 -1.16 0.00 0.00 179.01 177.89 3aet h ALA 355 N 1.22 0.15 -0.56 3.43 0.00 -0.57 -2.80 119.26 120.13 3aet h ALA 355 Ca 0.13 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3aet h ALA 355 Cb 0.52 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3aet h ALA 355 CO 0.03 -0.23 0.17 1.96 0.00 0.00 0.00 179.25 181.18 3aet h GLN 356 N -0.02 0.32 0.00 0.00 4.20 -1.09 0.05 115.11 118.57 3aet h GLN 356 Ca 0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3aet h GLN 356 Cb 0.24 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3aet h GLN 356 CO -0.00 0.21 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.27 3aet h LEU 357 N 0.33 0.00 0.13 1.46 3.38 -1.12 0.60 115.31 120.09 3aet h LEU 357 Ca 0.28 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.97 3aet h LEU 357 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3aet h LEU 357 CO -0.31 0.03 -1.40 0.44 0.09 0.00 0.00 178.44 177.28 3aet h ASP 358 N 0.00 0.43 -0.65 -0.43 3.32 -1.08 -2.46 116.42 115.55 3aet h ASP 358 Ca -0.00 -0.88 -0.01 0.00 0.02 0.00 0.00 57.03 56.16 3aet h ASP 358 Cb 0.08 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3aet h ASP 358 CO 0.00 1.62 0.38 0.03 -1.72 0.00 0.00 179.24 179.55 3aet h ARG 359 N -0.25 0.91 -0.12 3.56 3.08 -0.28 -2.37 114.38 118.91 3aet h ARG 359 Ca -0.29 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.61 3aet h ARG 359 Cb 1.80 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.66 3aet h ARG 359 CO 0.09 0.66 -0.14 1.25 -1.07 0.00 0.00 179.97 180.76 3aet h HIS 360 N 0.92 0.37 -0.68 3.04 2.76 0.07 -2.60 115.15 119.03 3aet h HIS 360 Ca 0.24 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3aet h HIS 360 Cb 0.00 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 3aet h HIS 360 CO 0.00 0.73 0.32 1.49 -1.30 0.00 0.00 177.93 179.17 3aet h GLU 361 N -0.10 0.97 0.00 5.26 4.81 -1.35 0.17 114.58 124.34 3aet h GLU 361 Ca 0.02 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 3aet h GLU 361 Cb 0.67 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3aet h GLU 361 CO 0.03 0.75 -0.32 0.00 -0.73 0.00 0.00 179.01 178.75 3aet h ALA 362 N 1.39 1.05 0.04 2.92 0.00 -1.48 -3.15 119.26 120.04 3aet h ALA 362 Ca 0.24 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 3aet h ALA 362 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3aet h ALA 362 CO -0.03 0.40 -1.55 0.82 0.00 0.00 0.00 179.25 178.89 3aet h ILE 363 N 0.00 1.08 -6.30 0.00 2.04 -0.90 -3.50 117.51 109.93 3aet h ILE 363 Ca -0.00 -2.83 -0.33 0.00 1.00 0.00 0.00 64.86 62.69 3aet h ILE 363 Cb 0.80 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 3aet h ILE 363 CO 0.04 0.71 -0.75 -3.20 0.00 0.00 0.00 178.15 174.95 3aet n ASN 364 N -3.26 -5.82 -4.82 1.72 5.15 0.50 -4.91 115.26 103.82 3aet n ASN 364 Ca -0.15 -0.65 -0.33 0.00 -0.60 0.00 0.00 54.58 52.86 3aet n ASN 364 Cb 1.03 -2.84 -0.04 0.00 -0.53 0.00 0.00 39.78 37.40 3aet n ASN 364 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3aet s PRO 365 N -4.24 3.87 0.06 1.20 0.02 -1.26 -4.98 135.00 129.67 3aet s PRO 365 Ca 0.02 1.12 -0.32 0.00 0.02 0.00 0.00 61.00 61.83 3aet s PRO 365 Cb -0.00 -2.12 -0.19 0.00 0.02 0.00 0.00 34.50 32.21 3aet s PRO 365 CO 0.85 -0.34 1.55 -0.44 -0.33 0.00 0.00 177.00 178.29 3aet h ASP 366 N 1.21 -0.78 -3.93 2.53 3.32 -1.64 -3.44 116.42 113.68 3aet h ASP 366 Ca -0.48 0.01 -0.68 0.00 0.02 0.00 0.00 57.03 55.90 3aet h ASP 366 Cb 1.20 0.20 -0.27 0.00 0.22 0.00 0.00 39.33 40.68 3aet h ASP 366 CO 0.60 -0.53 -0.81 -0.22 -1.72 0.00 0.00 179.24 176.56 3aet s LEU 367 N -9.97 2.50 -0.15 1.55 2.96 -0.51 -4.04 118.68 111.01 3aet s LEU 367 Ca -0.17 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3aet s LEU 367 Cb 0.03 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.23 3aet s LEU 367 CO 0.60 0.28 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.80 3aet s THR 368 N -0.35 2.06 -0.33 3.68 2.01 -0.95 -1.11 115.64 120.65 3aet s THR 368 Ca 0.03 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 3aet s THR 368 Cb -0.12 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 3aet s THR 368 CO 0.02 0.55 0.40 -0.69 -0.69 0.00 0.00 174.62 174.21 3aet s VAL 369 N 0.96 5.14 0.31 3.82 1.01 0.74 -1.11 120.40 131.26 3aet s VAL 369 Ca -0.03 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3aet s VAL 369 Cb -0.15 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.42 3aet s VAL 369 CO -0.05 -0.07 0.55 0.00 0.00 0.00 0.00 175.10 175.53 3aet s GLY 371 N -3.10 1.65 0.58 0.00 0.00 -1.26 -0.02 107.32 105.17 3aet s GLY 371 Ca 0.23 0.04 0.32 0.00 0.00 0.00 0.00 44.72 45.31 3aet s GLY 371 CO 0.13 0.40 2.21 1.41 0.00 0.00 0.00 173.10 177.25 3aet h LEU 372 N -0.95 0.00 0.00 0.66 4.07 -1.98 -2.28 115.31 114.83 3aet h LEU 372 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 3aet h LEU 372 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 3aet h LEU 372 CO 0.56 0.04 -0.03 0.61 -1.08 0.00 0.00 178.44 178.54 3aet n GLY 373 N -1.02 -1.61 0.00 0.83 0.00 -1.26 -3.58 105.19 98.55 3aet n GLY 373 Ca -0.02 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 45.97 3aet n GLY 373 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3aet n LEU 374 N -1.95 0.00 0.03 0.99 7.94 -0.90 -4.79 117.00 118.31 3aet n LEU 374 Ca 0.06 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.83 3aet n LEU 374 Cb 0.39 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.26 3aet n LEU 374 CO 0.29 0.00 0.70 0.00 -1.11 0.00 0.00 177.39 177.27 3aet h ALA 375 N 0.68 -0.06 -0.12 1.96 0.00 -1.50 -2.35 119.26 117.87 3aet h ALA 375 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3aet h ALA 375 Cb 0.37 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3aet h ALA 375 CO 0.00 -0.38 -0.02 -0.91 0.00 0.00 0.00 179.25 177.94 3aet h ASN 376 N -0.38 0.22 -0.01 0.00 -0.26 -1.88 -1.76 115.58 111.51 3aet h ASN 376 Ca -0.01 -0.36 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 3aet h ASN 376 Cb 0.34 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.54 3aet h ASN 376 CO 0.01 0.53 0.01 -0.65 -1.06 0.00 0.00 177.43 176.27 3aet h PRO 377 N -0.09 0.00 0.00 0.81 0.11 -1.87 0.30 132.00 131.26 3aet h PRO 377 Ca 0.03 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 3aet h PRO 377 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3aet h PRO 377 CO 0.01 0.00 -0.43 -0.07 -0.21 0.00 0.00 178.00 177.30 3aet h LEU 378 N 0.00 0.00 0.23 2.35 4.07 -1.23 -2.99 115.31 117.75 3aet h LEU 378 Ca 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.63 3aet h LEU 378 Cb 0.03 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.80 3aet h LEU 378 CO -0.00 0.36 -1.49 -0.33 -1.08 0.00 0.00 178.44 175.90 3aet h GLU 379 N 0.00 0.48 0.00 1.13 4.39 0.35 0.82 114.58 121.75 3aet h GLU 379 Ca -0.01 -0.83 -0.02 0.00 0.34 0.00 0.00 59.36 58.84 3aet h GLU 379 Cb 1.28 0.31 -0.00 0.00 -0.10 0.00 0.00 28.75 30.24 3aet h GLU 379 CO 0.05 1.39 -0.09 0.00 -1.16 0.00 0.00 179.01 179.20 3aet h ALA 380 N 0.22 1.01 -0.00 3.43 0.00 -0.84 -1.80 119.26 121.27 3aet h ALA 380 Ca -0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3aet h ALA 380 Cb 2.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3aet h ALA 380 CO 0.25 0.11 -0.43 1.17 0.00 0.00 0.00 179.25 180.36 3aet n LYS 381 N -3.21 0.38 0.00 0.00 3.00 -1.13 -4.96 118.16 112.24 3aet n LYS 381 Ca 0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 3aet n LYS 381 Cb 0.37 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.91 3aet n LYS 381 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3aet n GLY 382 N 1.43 1.19 3.82 3.14 0.00 -0.68 -5.05 105.19 109.04 3aet n GLY 382 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 3.66 0.27 1.61 3.76 0.25 -4.97 115.29 117.87 3aet s HIS 383 Ca 0.00 0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 55.47 3aet s HIS 383 Cb 0.00 -2.26 -0.09 0.00 1.11 0.00 0.00 32.58 31.34 3aet s HIS 383 CO 0.00 0.57 1.11 0.00 -0.85 0.00 0.00 174.74 175.57 3aet s ALA 384 N -0.74 3.41 0.20 -1.40 0.00 -1.26 -3.35 121.76 118.64 3aet s ALA 384 Ca 0.21 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.13 3aet s ALA 384 Cb -0.15 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3aet s ALA 384 CO 0.10 -0.19 -0.06 0.95 0.00 0.00 0.00 175.76 176.57 3aet s THR 385 N -1.08 1.22 -0.10 0.00 -4.23 -1.26 -2.25 115.64 107.95 3aet s THR 385 Ca 0.45 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3aet s THR 385 Cb -0.32 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.39 3aet s THR 385 CO 0.41 -0.49 -0.02 -0.75 -0.54 0.00 0.00 174.62 173.23 3aet s LYS 386 N -3.79 0.87 0.28 3.99 2.47 -0.26 -4.81 119.74 118.50 3aet s LYS 386 Ca 0.24 -0.06 -0.29 0.00 -1.56 0.00 0.00 55.97 54.29 3aet s LYS 386 Cb 0.04 -1.29 -0.10 0.00 -1.46 0.00 0.00 37.83 35.02 3aet s LYS 386 CO 0.06 -0.34 1.25 1.67 0.16 0.00 0.00 175.35 178.15 3aet s TRP 387 N 1.88 3.26 0.02 4.03 1.48 -1.26 -2.27 118.94 126.08 3aet s TRP 387 Ca 0.04 1.44 -0.19 0.00 -1.06 0.00 0.00 56.10 56.34 3aet s TRP 387 Cb -0.13 -3.55 -0.22 0.00 -1.16 0.00 0.00 33.47 28.42 3aet s TRP 387 CO -0.06 -1.50 1.15 0.00 -4.06 0.00 0.00 176.95 172.48 3aet h ALA 388 N 4.07 0.12 -0.95 2.67 0.00 -0.78 -3.34 119.26 121.05 3aet h ALA 388 Ca -0.47 -0.56 0.21 0.00 0.00 0.00 0.00 54.91 54.09 3aet h ALA 388 Cb 1.22 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 3aet h ALA 388 CO 0.69 0.39 0.62 0.82 0.00 0.00 0.00 179.25 181.76 3aet h ILE 389 N 0.01 0.66 -0.97 0.00 5.03 -1.93 -1.03 117.51 119.27 3aet h ILE 389 Ca -0.07 -0.16 0.09 0.00 -0.12 0.00 0.00 64.86 64.60 3aet h ILE 389 Cb 1.29 0.14 -0.12 0.00 -3.03 0.00 0.00 36.82 35.10 3aet h ILE 389 CO 0.12 0.09 -0.56 1.21 -0.68 0.00 0.00 178.15 178.32 3aet n GLU 390 N -4.57 -0.42 0.21 2.37 2.13 -1.25 -1.48 120.64 117.63 3aet n GLU 390 Ca 0.21 1.47 0.17 0.00 0.66 0.00 0.00 57.16 59.68 3aet n GLU 390 Cb 0.71 -2.17 0.73 0.00 0.27 0.00 0.00 31.44 30.98 3aet n GLU 390 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3aet h LEU 391 N 0.00 0.00 0.03 4.31 3.38 -1.43 -0.39 115.31 121.21 3aet h LEU 391 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3aet h LEU 391 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3aet h LEU 391 CO -0.92 0.00 -0.01 0.58 0.09 0.00 0.00 178.44 178.18 3aet h VAL 392 N 0.00 1.44 0.00 1.22 2.07 -1.41 -3.40 116.25 116.18 3aet h VAL 392 Ca 0.10 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 3aet h VAL 392 Cb 0.99 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 3aet h VAL 392 CO -0.00 0.41 -0.99 2.19 0.02 0.00 0.00 177.57 179.20 3aet h PHE 393 N -0.79 0.00 -3.82 1.57 -5.15 -1.15 -3.46 116.94 104.14 3aet h PHE 393 Ca -0.00 0.00 -0.48 0.00 -0.20 0.00 0.00 57.97 57.28 3aet h PHE 393 Cb 0.70 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.86 3aet h PHE 393 CO 0.17 0.36 0.37 0.99 -2.00 0.00 0.00 178.31 178.20 3aet s THR 394 N -3.07 4.04 0.13 0.88 2.01 -0.41 -4.93 115.64 114.28 3aet s THR 394 Ca 0.00 1.88 -0.31 0.00 0.31 0.00 0.00 61.69 63.56 3aet s THR 394 Cb 0.08 -4.13 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 3aet s THR 394 CO 0.78 0.32 1.50 -2.84 -0.69 0.00 0.00 174.62 173.69 3aet s PRO 395 N -1.63 4.26 0.00 4.92 0.02 -1.26 -4.80 135.00 136.51 3aet s PRO 395 Ca 0.46 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.71 3aet s PRO 395 Cb -0.24 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.03 3aet s PRO 395 CO 0.30 -0.55 0.00 1.33 -0.33 0.00 0.00 177.00 177.74 3aet n VAL 396 N 4.08 0.00 -1.91 3.83 0.24 -1.26 -4.79 118.33 118.51 3aet n VAL 396 Ca 0.13 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.10 3aet n VAL 396 Cb 0.40 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.80 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 -0.28 2.77 0.01 6.34 3.76 -1.26 -4.39 115.29 122.23 3aet s HIS 397 Ca 0.00 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 3aet s HIS 397 Cb 0.00 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.57 3aet s HIS 397 CO 0.00 -1.46 0.00 1.19 -0.85 0.00 0.00 174.74 173.62 3aet n PHE 398 N -2.18 -1.61 0.10 1.40 3.01 -1.08 -4.28 117.46 112.83 3aet n PHE 398 Ca 0.10 0.07 -0.05 0.00 1.01 0.00 0.00 57.45 58.58 3aet n PHE 398 Cb 0.52 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 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 -0.06 -0.29 0.00 1.38 0.05 -1.92 -3.12 116.97 113.01 3aet h TYR 399 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3aet h TYR 399 Cb 0.05 0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3aet h TYR 399 CO 0.00 -0.18 0.16 0.39 -1.05 0.00 0.00 178.16 177.48 3aet n GLU 400 N -4.42 0.11 0.00 4.88 -0.58 -1.26 -1.34 120.64 118.03 3aet n GLU 400 Ca -0.04 0.60 0.09 0.00 -0.42 0.00 0.00 57.16 57.39 3aet n GLU 400 Cb 0.13 -2.03 -0.04 0.00 -0.57 0.00 0.00 31.44 28.92 3aet n GLU 400 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3aet n GLN 401 N -2.15 1.45 -0.29 3.49 3.00 -1.23 -4.57 117.38 117.08 3aet n GLN 401 Ca -0.01 -0.49 0.04 0.00 -0.01 0.00 0.00 57.00 56.53 3aet n GLN 401 Cb 0.19 -1.33 0.18 0.00 0.00 0.00 0.00 30.24 29.28 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 2.83 1.18 0.40 -1.58 0.00 -1.14 -1.61 119.26 119.34 3aet h ALA 402 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3aet h ALA 402 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3aet h ALA 402 CO 0.00 0.04 -0.30 0.78 0.00 0.00 0.00 179.25 179.77 3aet h GLY 403 N 0.73 -0.97 -0.48 0.00 0.00 -1.81 -1.92 103.07 98.62 3aet h GLY 403 Ca 0.41 0.42 0.33 0.00 0.00 0.00 0.00 47.33 48.49 3aet h GLY 403 CO -0.28 -0.32 0.76 -0.55 0.00 0.00 0.00 176.54 176.15 3aet h ASP 404 N -0.67 0.32 0.56 0.19 3.32 -1.82 0.72 116.42 119.05 3aet h ASP 404 Ca -0.05 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3aet h ASP 404 Cb 0.55 0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.15 3aet h ASP 404 CO 0.02 -0.01 -0.27 0.25 -1.72 0.00 0.00 179.24 177.51 3aet h LEU 405 N 0.25 -0.64 -0.88 1.55 5.85 -0.80 0.90 115.31 121.55 3aet h LEU 405 Ca 0.66 0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.64 3aet h LEU 405 Cb 1.95 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 43.00 3aet h LEU 405 CO -0.29 -0.32 0.13 0.00 -0.34 0.00 0.00 178.44 177.62 3aet h ALA 406 N -1.37 1.14 -0.43 1.25 0.00 -1.05 -1.70 119.26 117.11 3aet h ALA 406 Ca -0.08 0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3aet h ALA 406 Cb 0.58 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 3aet h ALA 406 CO 0.13 -0.49 -0.05 0.78 0.00 0.00 0.00 179.25 179.62 3aet h GLY 407 N 0.13 0.38 -0.22 0.00 0.00 -0.44 -1.03 103.07 101.89 3aet h GLY 407 Ca 0.53 0.09 0.31 0.00 0.00 0.00 0.00 47.33 48.27 3aet h GLY 407 CO -0.72 -0.13 0.78 1.41 0.00 0.00 0.00 176.54 177.87 3aet h LEU 408 N 0.06 0.07 0.03 3.11 4.07 0.15 -1.08 115.31 121.72 3aet h LEU 408 Ca 0.21 0.01 -0.32 0.00 0.08 0.00 0.00 57.88 57.86 3aet h LEU 408 Cb 0.31 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.01 3aet h LEU 408 CO -0.39 0.01 -1.89 0.49 -1.08 0.00 0.00 178.44 175.58 3aet n PHE 409 N -4.27 0.92 -0.07 1.13 3.72 -0.47 -4.29 117.46 114.12 3aet n PHE 409 Ca 0.24 0.28 -0.15 0.00 -0.05 0.00 0.00 57.45 57.77 3aet n PHE 409 Cb 1.13 -1.15 -0.05 0.00 -0.94 0.00 0.00 39.48 38.47 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 0.02 0.94 -0.58 4.37 4.64 -0.54 -3.37 113.55 119.03 3aet h SER 410 Ca -0.36 -0.54 0.10 0.00 -0.47 0.00 0.00 61.79 60.52 3aet h SER 410 Cb 2.04 -0.27 -0.11 0.00 -0.31 0.00 0.00 62.40 63.75 3aet h SER 410 CO 0.07 1.31 -0.35 -0.09 -0.87 0.00 0.00 176.83 176.90 3aet h ARG 411 N 0.61 -0.17 -0.24 4.77 2.43 -1.41 0.17 114.38 120.55 3aet h ARG 411 Ca 0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3aet h ARG 411 Cb 1.15 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3aet h ARG 411 CO 0.12 -0.11 0.15 -1.00 -1.51 0.00 0.00 179.97 177.62 3aet h PRO 412 N -0.17 0.32 -1.00 0.20 0.13 -1.78 0.01 132.00 129.71 3aet h PRO 412 Ca 0.22 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.36 3aet h PRO 412 Cb 0.55 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.56 3aet h PRO 412 CO -0.68 0.24 0.66 -0.07 -0.23 0.00 0.00 178.00 177.92 3aet h LEU 413 N 0.31 1.10 0.01 1.56 3.38 -1.41 -0.23 115.31 120.03 3aet h LEU 413 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3aet h LEU 413 Cb -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3aet h LEU 413 CO -0.02 0.76 -0.00 0.03 0.09 0.00 0.00 178.44 179.30 3aet h ARG 414 N 1.28 -0.01 -0.99 1.13 2.47 -0.40 -2.53 114.38 115.34 3aet h ARG 414 Ca 0.39 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 59.17 3aet h ARG 414 Cb -0.03 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.23 3aet h ARG 414 CO -0.12 0.02 0.64 -0.09 0.56 0.00 0.00 179.97 180.99 3aet h ARG 415 N -0.03 1.15 -0.69 0.04 2.43 -0.32 -1.33 114.38 115.64 3aet h ARG 415 Ca -0.00 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3aet h ARG 415 Cb 0.03 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 3aet h ARG 415 CO 0.00 0.76 0.12 -0.09 -1.51 0.00 0.00 179.97 179.25 3aet h ARG 416 N 1.18 1.13 0.33 0.20 2.43 -0.78 -2.40 114.38 116.48 3aet h ARG 416 Ca 0.41 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3aet h ARG 416 Cb 0.11 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3aet h ARG 416 CO -0.15 1.02 -0.16 0.00 -1.51 0.00 0.00 179.97 179.17 3aet h ALA 417 N 1.06 -0.45 -0.11 2.80 0.00 -1.23 -3.16 119.26 118.18 3aet h ALA 417 Ca 0.21 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3aet h ALA 417 Cb 0.44 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3aet h ALA 417 CO 0.01 -0.68 0.36 1.25 0.00 0.00 0.00 179.25 180.19 3aet h LEU 418 N -0.59 0.00 -3.94 0.00 5.85 -1.00 -1.61 115.31 114.02 3aet h LEU 418 Ca -0.05 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.15 3aet h LEU 418 Cb 0.43 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.17 3aet h LEU 418 CO 0.08 0.00 0.62 0.18 -0.34 0.00 0.00 178.44 178.97 3aet n LEU 419 N -3.11 6.70 0.00 2.25 4.77 -0.93 -5.08 117.00 121.60 3aet n LEU 419 Ca 0.00 -3.79 0.00 0.00 -0.03 0.00 0.00 56.01 52.19 3aet n LEU 419 Cb 0.44 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3aet n LEU 419 CO 0.17 1.18 0.00 -0.46 -1.33 0.00 0.00 177.39 176.95