#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6e h GLU 7 N 0.00 0.00 -7.20 3.23 4.39 -1.97 0.43 114.58 113.47 3i6e h GLU 7 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 3i6e h GLU 7 Cb 0.00 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.77 3i6e h GLU 7 CO 0.00 0.00 0.37 1.14 -1.16 0.00 0.00 179.01 179.36 3i6e s GLN 8 N -3.20 2.52 0.33 2.33 -2.07 -1.26 -4.67 119.66 113.63 3i6e s GLN 8 Ca 0.08 1.51 -0.04 0.00 -1.82 0.00 0.00 55.36 55.09 3i6e s GLN 8 Cb 0.09 -1.90 -0.05 0.00 -1.09 0.00 0.00 33.01 30.06 3i6e s GLN 8 CO 0.61 -1.49 0.58 0.15 -1.32 0.00 0.00 175.29 173.83 3i6e s LYS 9 N -4.07 3.60 -0.20 9.60 1.02 -1.26 -1.25 119.74 127.19 3i6e s LYS 9 Ca 0.69 -0.03 -0.21 0.00 0.02 0.00 0.00 55.97 56.44 3i6e s LYS 9 Cb -0.23 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 3i6e s LYS 9 CO 0.43 0.15 0.65 0.42 -0.92 0.00 0.00 175.35 176.08 3i6e s ILE 10 N -2.21 5.01 -0.57 2.17 1.01 0.02 -1.14 121.20 125.48 3i6e s ILE 10 Ca 0.44 1.23 0.12 0.00 0.00 0.00 0.00 60.65 62.44 3i6e s ILE 10 Cb -0.10 -3.96 -0.14 0.00 0.01 0.00 0.00 42.46 38.27 3i6e s ILE 10 CO 0.33 0.10 0.52 2.30 0.00 0.00 0.00 174.94 178.19 3i6e n ILE 11 N 4.70 0.00 -3.67 2.92 -5.35 0.11 0.06 119.36 118.13 3i6e n ILE 11 Ca -0.01 -0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.11 3i6e n ILE 11 Cb 0.50 0.98 -0.08 0.00 -1.74 0.00 0.00 39.64 39.30 3i6e n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i6e s ALA 12 N -2.18 -1.13 -0.08 -1.28 0.00 -1.13 -4.91 121.76 111.05 3i6e s ALA 12 Ca 0.04 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 3i6e s ALA 12 Cb 0.09 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3i6e s ALA 12 CO 0.51 -0.31 -0.01 1.41 0.00 0.00 0.00 175.76 177.37 3i6e s MET 13 N -1.33 0.71 -0.03 0.00 1.75 -1.26 -1.91 119.30 117.23 3i6e s MET 13 Ca -0.12 0.04 0.06 0.00 -1.25 0.00 0.00 55.69 54.42 3i6e s MET 13 Cb -0.03 -1.09 -0.02 0.00 2.84 0.00 0.00 34.83 36.52 3i6e s MET 13 CO 0.06 -0.32 -0.23 -0.51 -0.65 0.00 0.00 175.02 173.38 3i6e s ASP 14 N 1.94 3.32 0.09 1.11 1.01 -0.31 -4.99 116.67 118.84 3i6e s ASP 14 Ca 0.05 -0.40 0.07 0.00 0.71 0.00 0.00 52.55 52.97 3i6e s ASP 14 Cb -0.12 -0.56 -0.03 0.00 1.01 0.00 0.00 42.92 43.21 3i6e s ASP 14 CO -0.06 0.31 -0.18 -0.76 0.21 0.00 0.00 175.17 174.70 3i6e s LEU 15 N -0.56 2.29 -0.04 1.23 1.43 -1.26 -1.36 118.68 120.41 3i6e s LEU 15 Ca 0.08 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3i6e s LEU 15 Cb -0.11 -0.72 0.03 0.00 0.03 0.00 0.00 46.19 45.42 3i6e s LEU 15 CO 0.00 -0.00 0.06 0.26 0.23 0.00 0.00 176.35 176.90 3i6e s TRP 16 N -1.21 0.02 -0.39 0.29 0.51 -0.66 -4.34 118.94 113.18 3i6e s TRP 16 Ca 0.03 0.26 -0.17 0.00 -2.12 0.00 0.00 56.10 54.09 3i6e s TRP 16 Cb -0.10 -0.38 0.01 0.00 -0.81 0.00 0.00 33.47 32.19 3i6e s TRP 16 CO 0.03 -0.17 0.46 -1.58 -0.51 0.00 0.00 176.95 175.19 3i6e s HIS 17 N 1.82 3.17 0.22 -1.98 5.65 0.15 -0.71 115.29 123.62 3i6e s HIS 17 Ca 0.00 -0.12 0.06 0.00 0.25 0.00 0.00 55.06 55.25 3i6e s HIS 17 Cb -0.12 -2.89 -0.03 0.00 -1.18 0.00 0.00 32.58 28.35 3i6e s HIS 17 CO -0.03 -0.61 0.24 -0.51 -0.65 0.00 0.00 174.74 173.17 3i6e s LEU 18 N 2.24 4.00 -0.28 8.88 1.43 0.21 0.26 118.68 135.43 3i6e s LEU 18 Ca 0.15 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3i6e s LEU 18 Cb -0.16 -2.55 0.09 0.00 0.03 0.00 0.00 46.19 43.59 3i6e s LEU 18 CO 0.14 -0.02 0.07 0.00 0.23 0.00 0.00 176.35 176.77 3i6e s ALA 19 N -1.98 1.49 -0.25 4.21 0.00 -0.41 -2.55 121.76 122.27 3i6e s ALA 19 Ca 0.33 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 3i6e s ALA 19 Cb -0.09 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 3i6e s ALA 19 CO 0.26 -1.52 0.19 -0.51 0.00 0.00 0.00 175.76 174.18 3i6e s LEU 20 N 1.64 4.08 0.48 0.00 1.43 0.19 -4.85 118.68 121.65 3i6e s LEU 20 Ca 0.06 0.09 -0.24 0.00 -1.03 0.00 0.00 54.13 53.02 3i6e s LEU 20 Cb -0.17 -2.14 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 3i6e s LEU 20 CO -0.20 0.02 1.32 -2.84 0.23 0.00 0.00 176.35 174.87 3i6e s PRO 21 N 1.32 3.56 0.09 1.29 0.02 -1.26 -0.77 135.00 139.25 3i6e s PRO 21 Ca 0.08 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3i6e s PRO 21 Cb -0.14 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.90 3i6e s PRO 21 CO 0.07 -0.83 0.00 1.33 -0.33 0.00 0.00 177.00 177.24 3i6e n VAL 22 N -0.50 0.29 0.00 3.83 0.24 -1.26 -1.29 118.33 119.64 3i6e n VAL 22 Ca 0.07 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 3i6e n VAL 22 Cb 0.45 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 3i6e n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i6e s GLU 38 N -3.09 3.53 0.16 0.00 2.02 -1.26 0.53 118.70 120.59 3i6e s GLU 38 Ca 0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 3i6e s GLU 38 Cb 0.00 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 3i6e s GLU 38 CO 0.00 0.37 0.09 0.96 0.02 0.00 0.00 175.26 176.69 3i6e s ILE 39 N 0.04 0.08 -0.14 -1.63 -4.36 -1.06 -4.42 121.20 109.72 3i6e s ILE 39 Ca 0.01 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 3i6e s ILE 39 Cb -0.13 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.35 3i6e s ILE 39 CO 0.02 -0.27 -0.21 -0.69 0.24 0.00 0.00 174.94 174.03 3i6e s VAL 40 N -4.08 2.14 -0.09 8.37 1.01 -0.22 -0.62 120.40 126.92 3i6e s VAL 40 Ca 0.30 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 3i6e s VAL 40 Cb 0.07 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3i6e s VAL 40 CO 0.06 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 175.03 3i6e s VAL 41 N 0.77 4.41 -0.03 2.92 1.01 0.12 -0.91 120.40 128.68 3i6e s VAL 41 Ca -0.08 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.76 3i6e s VAL 41 Cb -0.16 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3i6e s VAL 41 CO -0.01 0.61 -0.25 -0.22 0.00 0.00 0.00 175.10 175.23 3i6e s LEU 42 N -0.89 2.05 -0.06 3.92 2.96 0.44 -1.65 118.68 125.45 3i6e s LEU 42 Ca 0.13 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3i6e s LEU 42 Cb -0.11 -1.29 0.02 0.00 0.50 0.00 0.00 46.19 45.30 3i6e s LEU 42 CO 0.02 0.29 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.65 3i6e s ARG 43 N -0.47 1.37 0.01 1.98 3.52 -0.47 -0.99 118.95 123.90 3i6e s ARG 43 Ca 0.06 -0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.43 3i6e s ARG 43 Cb -0.11 -1.19 -0.03 0.00 -1.56 0.00 0.00 34.95 32.06 3i6e s ARG 43 CO 0.00 -0.02 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.79 3i6e s LEU 44 N 0.77 2.63 -0.05 -0.88 1.43 0.33 -1.16 118.68 121.74 3i6e s LEU 44 Ca -0.13 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3i6e s LEU 44 Cb -0.15 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 3i6e s LEU 44 CO 0.02 0.28 -0.20 -0.69 0.23 0.00 0.00 176.35 176.00 3i6e s VAL 45 N -0.86 1.63 0.40 -1.59 1.01 -0.80 -1.02 120.40 119.16 3i6e s VAL 45 Ca 0.14 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3i6e s VAL 45 Cb -0.11 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 3i6e s VAL 45 CO 0.04 0.46 0.57 0.00 0.00 0.00 0.00 175.10 176.17 3i6e s ALA 46 N 0.00 4.12 0.28 5.51 0.00 -0.64 -0.71 121.76 130.31 3i6e s ALA 46 Ca -0.04 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.57 3i6e s ALA 46 Cb -0.12 -1.83 0.67 0.00 0.00 0.00 0.00 23.12 21.83 3i6e s ALA 46 CO 0.03 -0.23 1.74 0.93 0.00 0.00 0.00 175.76 178.23 3i6e h GLU 47 N 0.65 0.55 0.00 0.00 5.08 -1.47 -0.46 114.58 118.92 3i6e h GLU 47 Ca -0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3i6e h GLU 47 Cb 1.26 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3i6e h GLU 47 CO 0.53 0.36 0.00 0.41 -1.00 0.00 0.00 179.01 179.31 3i6e n GLY 48 N -1.33 -0.89 0.00 -3.84 0.00 -1.26 -4.90 105.19 92.97 3i6e n GLY 48 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i6e n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 49 N 0.64 2.71 3.71 -0.02 0.00 -0.18 -5.07 105.19 106.97 3i6e n GLY 49 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3i6e n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e s ALA 50 N -2.73 2.03 0.32 4.61 0.00 -1.26 -4.71 121.76 120.02 3i6e s ALA 50 Ca 0.00 0.89 0.09 0.00 0.00 0.00 0.00 51.96 52.94 3i6e s ALA 50 Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 3i6e s ALA 50 CO 0.00 -2.02 -0.10 -1.21 0.00 0.00 0.00 175.76 172.44 3i6e s GLU 51 N -3.96 1.73 -0.09 0.00 2.02 -1.26 -1.63 118.70 115.51 3i6e s GLU 51 Ca 0.75 -1.88 -0.05 0.00 0.02 0.00 0.00 54.97 53.81 3i6e s GLU 51 Cb -0.30 -1.56 0.04 0.00 0.10 0.00 0.00 34.13 32.42 3i6e s GLU 51 CO 0.47 0.13 0.22 0.20 0.02 0.00 0.00 175.26 176.30 3i6e s GLY 52 N -3.55 -0.12 0.08 -1.39 0.00 -0.19 -3.96 107.32 98.19 3i6e s GLY 52 Ca 0.31 0.86 0.07 0.00 0.00 0.00 0.00 44.72 45.96 3i6e s GLY 52 CO 0.15 1.06 -0.14 -1.36 0.00 0.00 0.00 173.10 172.81 3i6e s PHE 53 N 1.02 2.65 0.01 1.90 0.08 -1.26 -0.52 117.98 121.86 3i6e s PHE 53 Ca -0.07 -0.20 -0.14 0.00 0.12 0.00 0.00 56.93 56.64 3i6e s PHE 53 Cb -0.09 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 3i6e s PHE 53 CO -0.06 0.36 0.29 0.20 -0.10 0.00 0.00 175.22 175.90 3i6e s GLY 54 N -1.88 -0.11 -0.01 4.36 0.00 -0.16 -3.03 107.32 106.49 3i6e s GLY 54 Ca 0.18 0.14 0.06 0.00 0.00 0.00 0.00 44.72 45.10 3i6e s GLY 54 CO 0.10 -0.06 -0.19 1.85 0.00 0.00 0.00 173.10 174.79 3i6e s GLU 55 N -1.82 1.53 -0.16 2.90 2.12 -1.26 -0.42 118.70 121.59 3i6e s GLU 55 Ca -0.10 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.54 3i6e s GLU 55 Cb -0.04 -1.49 0.00 0.00 0.26 0.00 0.00 34.13 32.86 3i6e s GLU 55 CO 0.01 0.41 -0.16 0.00 -0.54 0.00 0.00 175.26 174.98 3i6e s ALA 56 N -0.46 2.48 -0.69 6.30 0.00 -0.09 -3.72 121.76 125.58 3i6e s ALA 56 Ca 0.07 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.02 3i6e s ALA 56 Cb -0.07 -1.23 0.19 0.00 0.00 0.00 0.00 23.12 22.01 3i6e s ALA 56 CO -0.01 -0.07 0.55 0.43 0.00 0.00 0.00 175.76 176.66 3i6e n SER 57 N 4.14 3.11 -4.77 0.00 7.64 -1.26 -1.05 113.62 121.43 3i6e n SER 57 Ca -0.19 -3.25 -0.40 0.00 1.01 0.00 0.00 58.87 56.04 3i6e n SER 57 Cb 0.52 -0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 3i6e n SER 57 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3i6e s PRO 58 N -1.66 4.15 -0.33 1.43 0.02 -1.26 -4.58 135.00 132.76 3i6e s PRO 58 Ca 0.28 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.49 3i6e s PRO 58 Cb 0.00 -2.89 0.10 0.00 0.02 0.00 0.00 34.50 31.73 3i6e s PRO 58 CO -0.14 -0.34 0.05 -0.46 -0.33 0.00 0.00 177.00 175.78 3i6e s TRP 59 N -1.22 3.58 0.20 6.54 -0.11 -1.07 -4.79 118.94 122.06 3i6e s TRP 59 Ca 0.53 -2.87 -0.08 0.00 1.22 0.00 0.00 56.10 54.90 3i6e s TRP 59 Cb -0.38 -2.78 0.30 0.00 -1.50 0.00 0.00 33.47 29.11 3i6e s TRP 59 CO 0.50 -0.94 1.17 0.00 -4.62 0.00 0.00 176.95 173.06 3i6e n ALA 60 N 4.31 0.10 1.01 5.86 0.00 -0.87 -0.56 120.51 130.37 3i6e n ALA 60 Ca 0.03 0.81 0.14 0.00 0.00 0.00 0.00 53.44 54.41 3i6e n ALA 60 Cb 0.42 -0.45 0.62 0.00 0.00 0.00 0.00 19.45 20.04 3i6e n ALA 60 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i6e n VAL 61 N -5.19 0.00 0.01 0.00 0.24 -1.26 -4.03 118.33 108.09 3i6e n VAL 61 Ca 0.11 -0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3i6e n VAL 61 Cb 0.36 -0.49 -0.00 0.00 -1.47 0.00 0.00 33.84 32.23 3i6e n VAL 61 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3i6e n PHE 62 N -1.50 0.00 0.02 6.34 3.72 0.28 -4.92 117.46 121.41 3i6e n PHE 62 Ca 0.07 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.37 3i6e n PHE 62 Cb 0.34 -0.02 -0.13 0.00 -0.94 0.00 0.00 39.48 38.73 3i6e n PHE 62 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3i6e h THR 63 N -0.03 1.20 0.00 4.37 1.35 -1.52 -3.50 112.91 114.78 3i6e h THR 63 Ca 0.00 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 3i6e h THR 63 Cb 0.03 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3i6e h THR 63 CO 0.00 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 3i6e n GLY 64 N 1.51 1.24 3.93 5.82 0.00 -1.02 -4.53 105.19 112.15 3i6e n GLY 64 Ca -0.11 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 3i6e n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i6e s THR 65 N -1.35 5.07 0.33 2.61 -4.23 -1.26 -2.04 115.64 114.76 3i6e s THR 65 Ca 0.00 -0.26 0.21 0.00 -1.18 0.00 0.00 61.69 60.46 3i6e s THR 65 Cb 0.00 -3.83 0.21 0.00 1.34 0.00 0.00 72.50 70.22 3i6e s THR 65 CO 0.00 -0.53 1.92 1.55 -0.54 0.00 0.00 174.62 177.02 3i6e h PRO 66 N 0.93 0.00 -0.34 3.99 0.13 -1.93 -2.12 132.00 132.66 3i6e h PRO 66 Ca -0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 3i6e h PRO 66 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3i6e h PRO 66 CO 0.63 0.24 -0.32 0.93 -0.23 0.00 0.00 178.00 179.24 3i6e h GLU 67 N 0.00 0.76 -0.33 0.86 3.07 -1.99 0.20 114.58 117.15 3i6e h GLU 67 Ca -0.00 -0.36 -0.07 0.00 -0.50 0.00 0.00 59.36 58.43 3i6e h GLU 67 Cb 0.56 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3i6e h GLU 67 CO 0.03 0.98 -0.07 0.00 -1.40 0.00 0.00 179.01 178.55 3i6e h ALA 68 N 0.99 0.46 -0.24 3.43 0.00 -1.79 -1.92 119.26 120.19 3i6e h ALA 68 Ca 0.07 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3i6e h ALA 68 Cb 0.86 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3i6e h ALA 68 CO 0.07 0.29 -0.40 0.77 0.00 0.00 0.00 179.25 179.98 3i6e h SER 69 N 0.42 0.58 -0.01 0.00 0.02 -1.34 -0.78 113.55 112.44 3i6e h SER 69 Ca 0.09 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3i6e h SER 69 Cb 0.56 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3i6e h SER 69 CO 0.03 0.92 0.01 0.22 -1.14 0.00 0.00 176.83 176.86 3i6e h TYR 70 N 0.46 0.02 -0.68 3.45 3.20 -0.86 -2.31 116.97 120.24 3i6e h TYR 70 Ca 0.04 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3i6e h TYR 70 Cb 0.89 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 3i6e h TYR 70 CO 0.03 0.10 0.40 0.00 -1.64 0.00 0.00 178.16 177.05 3i6e h ALA 71 N 0.92 0.86 -0.44 1.82 0.00 -1.27 -0.10 119.26 121.05 3i6e h ALA 71 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3i6e h ALA 71 Cb 0.09 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 3i6e h ALA 71 CO -0.00 0.35 -0.00 0.00 0.00 0.00 0.00 179.25 179.60 3i6e h ALA 72 N 1.20 0.41 0.01 0.00 0.00 -0.88 -0.64 119.26 119.37 3i6e h ALA 72 Ca 0.24 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3i6e h ALA 72 Cb -0.01 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i6e h ALA 72 CO -0.04 -0.39 -0.00 -0.07 0.00 0.00 0.00 179.25 178.74 3i6e h LEU 73 N 0.11 -0.01 -0.72 0.00 3.38 -1.20 0.12 115.31 116.99 3i6e h LEU 73 Ca 0.22 -0.71 0.02 0.00 0.09 0.00 0.00 57.88 57.50 3i6e h LEU 73 Cb 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3i6e h LEU 73 CO -0.37 0.72 0.47 -0.78 0.09 0.00 0.00 178.44 178.56 3i6e h ASP 74 N -0.75 0.78 0.00 -0.43 3.58 -0.91 -1.78 116.42 116.92 3i6e h ASP 74 Ca -0.00 -0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.20 3i6e h ASP 74 Cb 0.72 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 3i6e h ASP 74 CO 0.00 0.55 -1.92 -1.14 -2.88 0.00 0.00 179.24 173.86 3i6e n ARG 75 N -4.62 0.45 -0.05 0.28 0.63 -0.26 -4.52 116.66 108.58 3i6e n ARG 75 Ca 0.07 0.09 -0.14 0.00 -0.92 0.00 0.00 57.85 56.95 3i6e n ARG 75 Cb 0.06 -1.32 -0.14 0.00 0.45 0.00 0.00 32.46 31.50 3i6e n ARG 75 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i6e n TYR 76 N -2.95 0.73 0.03 -0.14 4.01 -0.95 -4.45 117.16 113.43 3i6e n TYR 76 Ca -0.28 0.21 0.06 0.00 -0.16 0.00 0.00 57.90 57.73 3i6e n TYR 76 Cb 0.81 -1.12 -0.09 0.00 -0.31 0.00 0.00 39.34 38.63 3i6e n TYR 76 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3i6e n LEU 77 N -3.15 0.51 -0.19 7.72 4.77 0.39 -4.35 117.00 122.70 3i6e n LEU 77 Ca -0.29 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3i6e n LEU 77 Cb 1.06 0.05 0.10 0.00 -2.33 0.00 0.00 43.42 42.31 3i6e n LEU 77 CO 0.41 0.03 0.91 -0.09 -1.33 0.00 0.00 177.39 177.32 3i6e h ARG 78 N 0.00 0.23 -0.20 3.23 2.43 -1.54 -2.21 114.38 116.33 3i6e h ARG 78 Ca -0.10 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 3i6e h ARG 78 Cb 1.29 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3i6e h ARG 78 CO 0.02 0.15 -0.04 -1.35 -1.51 0.00 0.00 179.97 177.24 3i6e h PRO 79 N 0.24 0.29 -0.07 0.20 0.11 -1.80 -0.85 132.00 130.13 3i6e h PRO 79 Ca 0.30 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3i6e h PRO 79 Cb 0.45 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3i6e h PRO 79 CO -0.40 0.36 0.00 1.47 -0.21 0.00 0.00 178.00 179.22 3i6e n LEU 80 N -4.33 1.91 -0.08 2.35 -0.00 -0.90 -4.29 117.00 111.67 3i6e n LEU 80 Ca -0.00 -0.68 -0.15 0.00 -0.00 0.00 0.00 56.01 55.17 3i6e n LEU 80 Cb 0.22 -0.03 -0.06 0.00 -0.00 0.00 0.00 43.42 43.54 3i6e n LEU 80 CO 0.37 0.34 -1.04 0.52 -0.00 0.00 0.00 177.39 177.58 3i6e n VAL 81 N 0.49 0.88 -1.89 1.47 0.31 -0.88 -4.83 118.33 113.89 3i6e n VAL 81 Ca 0.18 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 3i6e n VAL 81 Cb 0.41 -1.51 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 3i6e n VAL 81 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3i6e s ILE 82 N -2.30 2.53 0.00 2.52 -1.09 -0.36 -2.17 121.20 120.33 3i6e s ILE 82 Ca -0.22 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 3i6e s ILE 82 Cb 0.08 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 3i6e s ILE 82 CO 0.31 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 3i6e n GLY 83 N 3.83 1.07 3.89 6.18 0.00 0.11 -4.94 105.19 115.33 3i6e n GLY 83 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3i6e n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i6e s ARG 84 N -0.58 3.63 0.17 1.61 1.81 -0.92 -4.69 118.95 119.99 3i6e s ARG 84 Ca 0.00 0.31 -0.30 0.00 -1.72 0.00 0.00 55.73 54.02 3i6e s ARG 84 Cb 0.00 -2.37 -0.07 0.00 -0.45 0.00 0.00 34.95 32.05 3i6e s ARG 84 CO 0.00 -0.15 1.05 1.03 -0.68 0.00 0.00 175.30 176.54 3i6e s ARG 85 N -4.42 4.66 0.33 3.54 3.00 -1.26 -0.80 118.95 123.99 3i6e s ARG 85 Ca 0.49 1.63 0.07 0.00 0.00 0.00 0.00 55.73 57.92 3i6e s ARG 85 Cb -0.10 -3.30 0.75 0.00 0.00 0.00 0.00 34.95 32.30 3i6e s ARG 85 CO 0.40 0.17 1.84 0.28 0.00 0.00 0.00 175.30 178.00 3i6e h VAL 86 N 3.69 0.82 0.00 3.52 2.07 -1.05 -0.34 116.25 124.96 3i6e h VAL 86 Ca -0.44 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3i6e h VAL 86 Cb 1.21 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3i6e h VAL 86 CO 0.71 0.14 0.00 0.61 0.02 0.00 0.00 177.57 179.05 3i6e n GLY 87 N -1.40 -0.96 1.38 2.17 0.00 0.13 -3.09 105.19 103.43 3i6e n GLY 87 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 3i6e n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i6e n ASP 88 N -1.42 3.46 -0.28 1.61 8.00 -0.14 -4.59 116.55 123.19 3i6e n ASP 88 Ca 0.05 -2.62 0.07 0.00 0.71 0.00 0.00 54.79 53.00 3i6e n ASP 88 Cb 0.16 -0.63 0.18 0.00 -0.02 0.00 0.00 41.12 40.82 3i6e n ASP 88 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3i6e h ARG 89 N 1.52 0.08 -0.45 -1.24 2.43 -1.72 -0.46 114.38 114.54 3i6e h ARG 89 Ca 0.12 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 3i6e h ARG 89 Cb 1.54 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 31.02 3i6e h ARG 89 CO 0.38 0.06 0.17 0.28 -1.51 0.00 0.00 179.97 179.35 3i6e h VAL 90 N 0.09 0.88 -0.40 0.20 2.07 -1.92 -0.22 116.25 116.94 3i6e h VAL 90 Ca 0.45 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.79 3i6e h VAL 90 Cb 0.81 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3i6e h VAL 90 CO -0.72 0.06 0.01 0.00 0.02 0.00 0.00 177.57 176.94 3i6e h ALA 91 N 1.28 0.54 -0.34 1.67 0.00 -1.55 -1.43 119.26 119.43 3i6e h ALA 91 Ca 0.21 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i6e h ALA 91 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3i6e h ALA 91 CO -0.20 0.31 0.16 0.82 0.00 0.00 0.00 179.25 180.34 3i6e h ILE 92 N 0.53 0.96 -0.13 0.00 2.04 -0.65 -0.67 117.51 119.59 3i6e h ILE 92 Ca 0.11 -0.11 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 3i6e h ILE 92 Cb 0.46 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3i6e h ILE 92 CO 0.02 0.06 -0.44 0.24 0.00 0.00 0.00 178.15 178.03 3i6e h MET 93 N 0.33 0.31 -0.22 2.37 2.86 -1.00 0.20 114.93 119.79 3i6e h MET 93 Ca 0.15 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3i6e h MET 93 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3i6e h MET 93 CO -0.11 0.70 0.09 0.22 1.06 0.00 0.00 176.91 178.86 3i6e h ASP 94 N 0.26 0.29 -0.52 1.22 3.58 -0.89 -2.06 116.42 118.30 3i6e h ASP 94 Ca 0.02 -0.15 -0.12 0.00 0.42 0.00 0.00 57.03 57.20 3i6e h ASP 94 Cb 0.88 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 3i6e h ASP 94 CO 0.07 0.37 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.32 3i6e h GLU 95 N 0.20 1.01 -0.84 0.28 5.08 -0.93 -3.19 114.58 116.19 3i6e h GLU 95 Ca 0.07 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3i6e h GLU 95 Cb 0.16 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3i6e h GLU 95 CO -0.01 1.08 0.55 0.00 -1.00 0.00 0.00 179.01 179.63 3i6e h ALA 96 N 0.90 1.08 -0.81 3.43 0.00 -0.42 -0.41 119.26 123.04 3i6e h ALA 96 Ca 0.13 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3i6e h ALA 96 Cb 0.72 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3i6e h ALA 96 CO 0.06 0.42 0.53 0.00 0.00 0.00 0.00 179.25 180.25 3i6e h ALA 97 N 1.33 1.73 0.00 0.00 0.00 -1.36 -2.07 119.26 118.89 3i6e h ALA 97 Ca 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3i6e h ALA 97 Cb -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3i6e h ALA 97 CO -0.09 0.10 -0.97 0.00 0.00 0.00 0.00 179.25 178.29 3i6e h ARG 98 N 0.76 0.00 0.00 0.00 3.08 -1.50 -3.37 114.38 113.35 3i6e h ARG 98 Ca 0.37 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.37 3i6e h ARG 98 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3i6e h ARG 98 CO -0.14 0.00 -0.24 0.00 -1.07 0.00 0.00 179.97 178.51 3i6e h ALA 99 N 2.00 1.19 -2.81 0.04 0.00 -0.35 -3.44 119.26 115.89 3i6e h ALA 99 Ca -0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3i6e h ALA 99 Cb 1.00 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.50 3i6e h ALA 99 CO 0.00 0.31 -0.32 0.54 0.00 0.00 0.00 179.25 179.78 3i6e s VAL 100 N -3.96 -0.01 0.41 0.00 0.11 -1.21 -4.96 120.40 110.78 3i6e s VAL 100 Ca -0.01 0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.83 3i6e s VAL 100 Cb 0.12 -0.53 -0.08 0.00 -1.53 0.00 0.00 36.38 34.36 3i6e s VAL 100 CO 0.64 0.02 1.17 0.00 -3.33 0.00 0.00 175.10 173.60 3i6e s ALA 101 N 0.71 3.14 0.00 1.54 0.00 -1.26 -4.82 121.76 121.06 3i6e s ALA 101 Ca -0.04 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3i6e s ALA 101 Cb -0.05 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3i6e s ALA 101 CO -0.05 -0.54 0.00 0.72 0.00 0.00 0.00 175.76 175.89 3i6e n HIS 102 N 0.01 0.00 -3.91 0.00 8.25 -1.26 -4.88 115.22 113.43 3i6e n HIS 102 Ca 0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.23 3i6e n HIS 102 Cb 0.47 0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.62 3i6e n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i6e h THR 104 N -1.91 0.41 -0.31 0.00 1.35 -1.86 -1.81 112.91 108.78 3i6e h THR 104 Ca -0.60 -0.40 -0.14 0.00 -0.55 0.00 0.00 66.41 64.73 3i6e h THR 104 Cb 1.37 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3i6e h THR 104 CO 0.65 0.07 -0.34 -0.33 -0.25 0.00 0.00 175.52 175.32 3i6e h GLU 105 N 0.00 0.77 -0.53 4.72 3.07 -1.83 -0.56 114.58 120.22 3i6e h GLU 105 Ca -0.00 -0.42 -0.10 0.00 -0.50 0.00 0.00 59.36 58.34 3i6e h GLU 105 Cb 0.27 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3i6e h GLU 105 CO 0.01 1.05 -0.05 0.00 -1.40 0.00 0.00 179.01 178.62 3i6e h ALA 106 N 0.71 0.91 -0.54 3.43 0.00 -1.67 -1.13 119.26 120.96 3i6e h ALA 106 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3i6e h ALA 106 Cb 0.93 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3i6e h ALA 106 CO 0.08 0.64 0.01 0.87 0.00 0.00 0.00 179.25 180.85 3i6e h LYS 107 N 0.86 0.91 -0.43 0.00 1.57 -1.21 -0.73 116.57 117.52 3i6e h LYS 107 Ca 0.15 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3i6e h LYS 107 Cb 0.58 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3i6e h LYS 107 CO 0.03 0.90 -0.18 0.00 -0.57 0.00 0.00 179.45 179.63 3i6e h ALA 108 N 1.16 0.87 -0.45 3.86 0.00 -0.79 -1.36 119.26 122.54 3i6e h ALA 108 Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3i6e h ALA 108 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3i6e h ALA 108 CO 0.02 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.06 3i6e h ALA 109 N 1.05 0.59 -0.62 0.00 0.00 -0.79 0.57 119.26 120.06 3i6e h ALA 109 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3i6e h ALA 109 Cb 0.70 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3i6e h ALA 109 CO 0.05 0.23 0.26 1.25 0.00 0.00 0.00 179.25 181.04 3i6e h LEU 110 N 0.59 0.84 -0.57 0.00 5.85 -0.96 -0.20 115.31 120.87 3i6e h LEU 110 Ca 0.15 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3i6e h LEU 110 Cb 0.24 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3i6e h LEU 110 CO -0.01 0.77 0.16 -0.78 -0.34 0.00 0.00 178.44 178.24 3i6e h ASP 111 N 0.86 0.84 -0.50 1.25 3.58 -0.99 -0.54 116.42 120.94 3i6e h ASP 111 Ca 0.21 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 3i6e h ASP 111 Cb 0.18 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3i6e h ASP 111 CO -0.02 0.84 0.27 0.28 -2.88 0.00 0.00 179.24 177.73 3i6e h SER 112 N 0.80 0.62 -0.53 2.28 0.02 -0.52 -1.11 113.55 115.12 3i6e h SER 112 Ca 0.18 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3i6e h SER 112 Cb 0.32 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3i6e h SER 112 CO -0.00 0.54 0.10 0.00 -1.14 0.00 0.00 176.83 176.33 3i6e h ALA 113 N 1.11 0.70 -0.87 3.77 0.00 -0.82 0.16 119.26 123.30 3i6e h ALA 113 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3i6e h ALA 113 Cb 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3i6e h ALA 113 CO -0.03 0.42 0.48 -0.07 0.00 0.00 0.00 179.25 180.05 3i6e h LEU 114 N 0.75 1.10 -0.22 0.00 3.38 -0.87 0.29 115.31 119.74 3i6e h LEU 114 Ca 0.16 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3i6e h LEU 114 Cb 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3i6e h LEU 114 CO 0.01 0.88 -0.44 -0.07 0.09 0.00 0.00 178.44 178.91 3i6e h LEU 115 N 1.22 0.76 -0.23 1.67 3.38 -0.97 -1.09 115.31 120.05 3i6e h LEU 115 Ca 0.31 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3i6e h LEU 115 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3i6e h LEU 115 CO -0.05 1.17 0.14 -0.78 0.09 0.00 0.00 178.44 179.01 3i6e h ASP 116 N 0.38 0.28 -0.05 -0.43 3.58 -0.41 0.83 116.42 120.61 3i6e h ASP 116 Ca 0.01 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.41 3i6e h ASP 116 Cb 1.05 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 3i6e h ASP 116 CO 0.10 0.25 0.01 0.25 -2.88 0.00 0.00 179.24 176.97 3i6e h LEU 117 N 0.29 0.01 -1.35 2.28 5.85 -0.40 -1.01 115.31 120.97 3i6e h LEU 117 Ca 0.08 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3i6e h LEU 117 Cb 0.02 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3i6e h LEU 117 CO -0.02 0.01 0.34 0.00 -0.34 0.00 0.00 178.44 178.44 3i6e h ALA 118 N 1.03 1.52 -0.52 1.25 0.00 -0.99 -1.46 119.26 120.09 3i6e h ALA 118 Ca 0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3i6e h ALA 118 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3i6e h ALA 118 CO -0.03 0.42 0.02 0.78 0.00 0.00 0.00 179.25 180.44 3i6e h GLY 119 N 0.84 0.98 0.97 0.00 0.00 -0.30 -1.80 103.07 103.75 3i6e h GLY 119 Ca 0.21 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3i6e h GLY 119 CO -0.04 0.65 0.18 3.21 0.00 0.00 0.00 176.54 180.54 3i6e h ARG 120 N 0.78 0.77 0.42 4.80 2.47 -0.58 0.54 114.38 123.58 3i6e h ARG 120 Ca 0.15 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 3i6e h ARG 120 Cb 0.50 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3i6e h ARG 120 CO 0.02 0.70 -0.20 0.82 0.56 0.00 0.00 179.97 181.87 3i6e h ILE 121 N 0.68 0.59 -0.00 2.04 1.08 -1.16 -3.02 117.51 117.71 3i6e h ILE 121 Ca 0.16 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 3i6e h ILE 121 Cb 0.24 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 3i6e h ILE 121 CO -0.01 0.00 -0.08 -1.54 -0.69 0.00 0.00 178.15 175.84 3i6e n SER 122 N -5.33 0.25 -3.16 1.72 3.41 -0.69 -4.94 113.62 104.88 3i6e n SER 122 Ca -0.11 -0.32 -0.15 0.00 -0.26 0.00 0.00 58.87 58.03 3i6e n SER 122 Cb 0.24 -0.17 0.08 0.00 -0.26 0.00 0.00 64.21 64.10 3i6e n SER 122 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i6e n ASN 123 N -1.15 -2.70 -4.13 4.04 5.15 0.16 -5.04 115.26 111.60 3i6e n ASN 123 Ca 0.13 -0.57 -0.15 0.00 -0.60 0.00 0.00 54.58 53.40 3i6e n ASN 123 Cb 0.27 -4.66 -0.11 0.00 -0.53 0.00 0.00 39.78 34.74 3i6e n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i6e s LEU 124 N -5.79 2.31 0.51 1.20 1.43 0.48 -4.83 118.68 113.99 3i6e s LEU 124 Ca 0.07 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.33 3i6e s LEU 124 Cb -0.01 -0.30 -0.07 0.00 0.03 0.00 0.00 46.19 45.84 3i6e s LEU 124 CO 0.66 -0.19 1.04 -2.84 0.23 0.00 0.00 176.35 175.25 3i6e s PRO 125 N -1.99 3.69 0.24 1.29 0.02 -1.20 -0.19 135.00 136.86 3i6e s PRO 125 Ca -0.03 1.32 -0.05 0.00 0.02 0.00 0.00 61.00 62.26 3i6e s PRO 125 Cb -0.08 -2.08 0.37 0.00 0.02 0.00 0.00 34.50 32.73 3i6e s PRO 125 CO 0.01 -0.52 1.80 0.28 -0.33 0.00 0.00 177.00 178.24 3i6e h VAL 126 N 1.30 0.90 -0.53 3.83 2.07 -1.62 0.25 116.25 122.45 3i6e h VAL 126 Ca -0.49 -0.25 0.15 0.00 0.82 0.00 0.00 66.70 66.94 3i6e h VAL 126 Cb 1.22 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3i6e h VAL 126 CO 0.59 0.13 0.40 4.11 0.02 0.00 0.00 177.57 182.82 3i6e h TRP 127 N 0.73 0.00 0.00 1.57 5.08 -1.87 0.45 115.95 121.90 3i6e h TRP 127 Ca 0.37 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.33 3i6e h TRP 127 Cb 0.35 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.51 3i6e h TRP 127 CO -0.08 0.00 -0.06 0.00 -1.28 0.00 0.00 178.44 177.02 3i6e h ALA 128 N 1.70 1.07 -0.02 0.11 0.00 -1.20 -1.06 119.26 119.86 3i6e h ALA 128 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i6e h ALA 128 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i6e h ALA 128 CO -0.00 0.08 -0.08 1.28 0.00 0.00 0.00 179.25 180.53 3i6e n LEU 129 N -3.27 2.05 -0.90 0.00 4.77 0.15 -3.91 117.00 115.89 3i6e n LEU 129 Ca -0.01 -0.68 0.07 0.00 -0.03 0.00 0.00 56.01 55.37 3i6e n LEU 129 Cb 0.27 -0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.57 3i6e n LEU 129 CO 0.28 0.35 0.69 0.18 -1.33 0.00 0.00 177.39 177.55 3i6e n LEU 130 N 0.48 3.53 0.00 2.23 4.77 -0.50 -4.93 117.00 122.58 3i6e n LEU 130 Ca 0.15 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 3i6e n LEU 130 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3i6e n LEU 130 CO 0.18 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3i6e n GLY 131 N 0.45 0.73 0.00 -0.72 0.00 -1.19 -4.92 105.19 99.54 3i6e n GLY 131 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i6e n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 132 N -1.06 -1.05 3.28 -0.02 0.00 -0.60 -5.02 105.19 100.73 3i6e n GLY 132 Ca 0.00 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 3i6e n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6e s LYS 133 N 0.00 1.14 0.00 1.61 -2.85 -1.26 -4.02 119.74 114.35 3i6e s LYS 133 Ca 0.00 -1.41 0.00 0.00 -1.00 0.00 0.00 55.97 53.56 3i6e s LYS 133 Cb 0.00 -0.90 0.00 0.00 -2.06 0.00 0.00 37.83 34.87 3i6e s LYS 133 CO 0.00 0.15 0.14 0.00 0.10 0.00 0.00 175.35 175.75 3i6e s ARG 135 N -0.55 0.54 0.02 0.00 1.70 -1.24 -5.05 118.95 114.37 3i6e s ARG 135 Ca 0.00 0.11 0.22 0.00 -0.47 0.00 0.00 55.73 55.59 3i6e s ARG 135 Cb 0.00 0.25 -0.15 0.00 -0.57 0.00 0.00 34.95 34.48 3i6e s ARG 135 CO 0.00 -0.12 0.82 -0.25 -1.08 0.00 0.00 175.30 174.67 3i6e n ASP 136 N 2.02 0.52 -4.11 -2.89 8.00 -1.26 -4.84 116.55 113.99 3i6e n ASP 136 Ca -0.18 -0.33 -0.09 0.00 0.71 0.00 0.00 54.79 54.91 3i6e n ASP 136 Cb 0.57 1.22 -0.10 0.00 -0.02 0.00 0.00 41.12 42.79 3i6e n ASP 136 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i6e s THR 137 N -3.26 0.15 -0.05 -3.53 -4.23 -1.26 -1.57 115.64 101.89 3i6e s THR 137 Ca 0.01 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 58.68 3i6e s THR 137 Cb 0.14 -1.82 0.03 0.00 1.34 0.00 0.00 72.50 72.20 3i6e s THR 137 CO 0.85 -0.66 0.00 -0.63 -0.54 0.00 0.00 174.62 173.64 3i6e s ILE 138 N -3.99 0.27 0.23 2.99 1.01 0.21 -4.92 121.20 117.00 3i6e s ILE 138 Ca 0.17 0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.63 3i6e s ILE 138 Cb 0.07 -0.41 -0.13 0.00 0.01 0.00 0.00 42.46 42.01 3i6e s ILE 138 CO -0.03 0.21 1.59 -2.65 0.00 0.00 0.00 174.94 174.06 3i6e n PRO 139 N 4.75 2.46 -4.02 2.79 -0.02 -1.26 0.40 135.00 140.09 3i6e n PRO 139 Ca -0.14 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 61.87 3i6e n PRO 139 Cb 0.50 -2.66 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 3i6e n PRO 139 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6e s LEU 140 N 0.45 4.15 -0.04 2.45 2.96 -0.67 -1.32 118.68 126.65 3i6e s LEU 140 Ca 0.72 0.34 0.07 0.00 -0.22 0.00 0.00 54.13 55.03 3i6e s LEU 140 Cb -0.57 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 3i6e s LEU 140 CO 0.41 0.36 -0.24 -0.55 -1.32 0.00 0.00 176.35 175.02 3i6e s SER 141 N -1.22 2.92 -0.06 3.68 0.15 0.50 -3.62 113.70 116.05 3i6e s SER 141 Ca 0.17 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.38 3i6e s SER 141 Cb -0.12 -0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 63.57 3i6e s SER 141 CO 0.07 0.26 -0.11 0.00 1.20 0.00 0.00 173.24 174.66 3i6e s SER 143 N -0.70 6.75 -0.39 0.00 0.01 -1.26 -1.40 113.70 116.71 3i6e s SER 143 Ca 0.11 1.38 0.04 0.00 1.31 0.00 0.00 55.95 58.78 3i6e s SER 143 Cb -0.11 -2.42 0.11 0.00 0.21 0.00 0.00 66.02 63.81 3i6e s SER 143 CO 0.01 -0.31 0.11 -0.63 0.41 0.00 0.00 173.24 172.83 3i6e s ILE 144 N -2.16 2.40 -0.00 1.44 -1.09 0.41 -4.86 121.20 117.33 3i6e s ILE 144 Ca 0.56 -2.62 0.00 0.00 -2.23 0.00 0.00 60.65 56.36 3i6e s ILE 144 Cb -0.10 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 38.05 3i6e s ILE 144 CO 0.20 -0.66 0.72 0.00 -1.23 0.00 0.00 174.94 173.97 3i6e n ALA 145 N 3.93 1.43 -2.31 9.38 0.00 -1.26 -1.27 120.51 130.42 3i6e n ALA 145 Ca 0.04 -0.75 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 3i6e n ALA 145 Cb 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 3i6e n ALA 145 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i6e s ASN 146 N -0.47 6.96 0.59 0.00 3.84 -1.26 -4.88 114.94 119.71 3i6e s ASN 146 Ca 0.01 2.13 0.36 0.00 0.21 0.00 0.00 52.86 55.56 3i6e s ASN 146 Cb 0.01 -2.58 1.82 0.00 -0.55 0.00 0.00 41.25 39.95 3i6e s ASN 146 CO 0.00 -0.57 2.18 1.55 -2.79 0.00 0.00 177.10 177.46 3i6e h PRO 147 N 6.97 0.00 -4.24 0.43 0.13 -2.00 -3.27 132.00 130.01 3i6e h PRO 147 Ca -0.41 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.97 3i6e h PRO 147 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 3i6e h PRO 147 CO 0.85 0.04 0.32 0.34 -0.23 0.00 0.00 178.00 179.31 3i6e s ASP 148 N -5.67 6.68 0.58 1.44 2.15 -1.26 -4.91 116.67 115.68 3i6e s ASP 148 Ca -0.03 -2.42 0.27 0.00 0.43 0.00 0.00 52.55 50.81 3i6e s ASP 148 Cb 0.12 -2.27 1.62 0.00 -0.30 0.00 0.00 42.92 42.09 3i6e s ASP 148 CO 0.51 -0.75 2.11 0.15 -0.17 0.00 0.00 175.17 177.01 3i6e h PHE 149 N 8.19 0.00 -0.29 -5.34 3.57 -1.99 -0.77 116.94 120.31 3i6e h PHE 149 Ca 0.09 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3i6e h PHE 149 Cb 1.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 3i6e h PHE 149 CO 1.06 0.00 0.06 -0.44 -2.23 0.00 0.00 178.31 176.76 3i6e h ASP 150 N 0.00 0.38 -0.44 0.41 3.32 -1.91 -1.43 116.42 116.74 3i6e h ASP 150 Ca 0.09 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3i6e h ASP 150 Cb 0.46 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3i6e h ASP 150 CO -0.00 0.40 -0.01 0.00 -1.72 0.00 0.00 179.24 177.90 3i6e h ALA 151 N 1.66 1.03 0.00 3.45 0.00 -1.52 -2.50 119.26 121.38 3i6e h ALA 151 Ca 0.10 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3i6e h ALA 151 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i6e h ALA 151 CO -0.00 0.60 -0.65 -0.44 0.00 0.00 0.00 179.25 178.75 3i6e h ASP 152 N 0.79 0.00 -0.57 0.00 3.32 -1.37 -1.89 116.42 116.70 3i6e h ASP 152 Ca 0.15 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3i6e h ASP 152 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3i6e h ASP 152 CO 0.02 0.65 0.10 0.40 -1.72 0.00 0.00 179.24 178.69 3i6e h ILE 153 N 0.00 1.25 -0.36 0.35 2.04 -1.02 0.41 117.51 120.18 3i6e h ILE 153 Ca -0.01 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3i6e h ILE 153 Cb 1.22 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3i6e h ILE 153 CO 0.08 0.35 0.16 0.00 0.00 0.00 0.00 178.15 178.75 3i6e h ALA 154 N 1.00 0.46 -0.75 1.87 0.00 -1.32 -1.09 119.26 119.44 3i6e h ALA 154 Ca 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i6e h ALA 154 Cb 0.41 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3i6e h ALA 154 CO 0.01 0.04 0.34 1.25 0.00 0.00 0.00 179.25 180.89 3i6e h LEU 155 N 0.44 1.01 -1.54 0.00 5.85 -0.97 -1.74 115.31 118.36 3i6e h LEU 155 Ca 0.12 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3i6e h LEU 155 Cb 0.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3i6e h LEU 155 CO -0.01 0.88 -0.12 0.24 -0.34 0.00 0.00 178.44 179.08 3i6e h MET 156 N 1.07 0.14 -0.24 1.25 2.86 0.17 0.79 114.93 120.97 3i6e h MET 156 Ca 0.26 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3i6e h MET 156 Cb 0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3i6e h MET 156 CO -0.03 0.28 0.04 0.93 1.06 0.00 0.00 176.91 179.19 3i6e h GLU 157 N 0.14 0.40 -0.49 1.72 4.39 -0.44 0.03 114.58 120.33 3i6e h GLU 157 Ca 0.03 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3i6e h GLU 157 Cb 0.31 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3i6e h GLU 157 CO 0.02 0.53 0.20 -0.09 -1.16 0.00 0.00 179.01 178.52 3i6e h ARG 158 N 0.21 0.73 -0.22 2.33 2.43 -0.39 -2.49 114.38 117.00 3i6e h ARG 158 Ca 0.07 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3i6e h ARG 158 Cb 0.33 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3i6e h ARG 158 CO 0.00 0.65 0.11 -0.07 -1.51 0.00 0.00 179.97 179.15 3i6e h LEU 159 N 0.66 0.17 -1.04 3.80 3.38 0.83 -1.47 115.31 121.63 3i6e h LEU 159 Ca 0.17 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3i6e h LEU 159 Cb 0.18 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3i6e h LEU 159 CO -0.01 0.13 0.50 -0.09 0.09 0.00 0.00 178.44 179.06 3i6e h ARG 160 N 0.23 1.16 -0.47 1.13 2.43 -0.91 -2.17 114.38 115.80 3i6e h ARG 160 Ca 0.09 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3i6e h ARG 160 Cb 0.02 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3i6e h ARG 160 CO -0.06 0.82 -0.04 0.00 -1.51 0.00 0.00 179.97 179.19 3i6e h ALA 161 N 1.37 1.05 0.00 2.80 0.00 -1.12 -2.60 119.26 120.77 3i6e h ALA 161 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i6e h ALA 161 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i6e h ALA 161 CO -0.06 0.59 0.00 -0.25 0.00 0.00 0.00 179.25 179.53 3i6e n ASP 162 N -4.19 0.00 0.00 0.00 8.00 -0.58 -4.90 116.55 114.88 3i6e n ASP 162 Ca 0.02 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3i6e n ASP 162 Cb 0.33 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3i6e n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6e n GLY 163 N 0.89 0.75 3.67 0.44 0.00 -0.98 -2.98 105.19 106.98 3i6e n GLY 163 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3i6e n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6e s VAL 164 N -2.49 3.86 -2.14 1.61 1.01 -0.87 -3.82 120.40 117.56 3i6e s VAL 164 Ca 0.00 1.11 0.19 0.00 0.00 0.00 0.00 61.98 63.27 3i6e s VAL 164 Cb 0.00 -3.71 0.25 0.00 0.00 0.00 0.00 36.38 32.92 3i6e s VAL 164 CO 0.00 -0.07 1.19 0.61 0.00 0.00 0.00 175.10 176.83 3i6e n GLY 165 N 3.81 1.06 3.11 4.51 0.00 -1.26 -4.45 105.19 111.97 3i6e n GLY 165 Ca 0.15 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 3i6e n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 166 N -1.41 1.96 0.02 0.99 1.43 -1.24 -1.23 118.68 119.20 3i6e s LEU 166 Ca 0.27 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3i6e s LEU 166 Cb 0.17 -0.79 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 3i6e s LEU 166 CO 0.24 0.16 -0.03 0.27 0.23 0.00 0.00 176.35 177.23 3i6e s ILE 167 N -0.18 0.11 -0.15 -0.59 -4.36 -0.90 -1.85 121.20 113.28 3i6e s ILE 167 Ca 0.02 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 3i6e s ILE 167 Cb -0.08 -0.26 0.02 0.00 1.25 0.00 0.00 42.46 43.40 3i6e s ILE 167 CO 0.00 -0.49 -0.13 -0.75 0.24 0.00 0.00 174.94 173.81 3i6e s LYS 168 N -1.42 2.19 -0.21 0.37 2.20 -0.50 -1.08 119.74 121.29 3i6e s LYS 168 Ca -0.16 -0.54 -0.27 0.00 -0.36 0.00 0.00 55.97 54.65 3i6e s LYS 168 Cb -0.10 -2.07 -0.00 0.00 -1.51 0.00 0.00 37.83 34.15 3i6e s LYS 168 CO -0.01 -0.25 0.92 -1.17 -0.36 0.00 0.00 175.35 174.47 3i6e s LEU 169 N 1.51 4.12 -0.29 5.43 2.96 0.88 -0.45 118.68 132.84 3i6e s LEU 169 Ca 0.05 1.22 -0.29 0.00 -0.22 0.00 0.00 54.13 54.89 3i6e s LEU 169 Cb -0.13 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.23 3i6e s LEU 169 CO -0.10 -0.54 1.08 -0.75 -1.32 0.00 0.00 176.35 174.72 3i6e s LYS 170 N 2.77 4.11 0.37 1.98 2.20 -0.39 -1.36 119.74 129.42 3i6e s LYS 170 Ca 0.40 1.17 0.08 0.00 -0.36 0.00 0.00 55.97 57.26 3i6e s LYS 170 Cb -0.16 -3.72 -0.06 0.00 -1.51 0.00 0.00 37.83 32.38 3i6e s LYS 170 CO 0.09 -0.84 0.06 0.95 -0.36 0.00 0.00 175.35 175.24 3i6e s THR 171 N 3.58 2.47 0.00 3.43 -4.23 0.02 -4.78 115.64 116.12 3i6e s THR 171 Ca 0.46 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3i6e s THR 171 Cb -0.13 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3i6e s THR 171 CO 0.13 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3i6e n GLY 172 N -1.04 2.26 0.00 3.99 0.00 -1.26 -4.22 105.19 104.92 3i6e n GLY 172 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3i6e n GLY 172 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i6e n PHE 173 N -2.00 0.00 -4.05 1.61 1.16 -1.26 -4.82 117.46 108.10 3i6e n PHE 173 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.55 3i6e n PHE 173 Cb 0.00 -0.47 -0.01 0.00 -1.61 0.00 0.00 39.48 37.39 3i6e n PHE 173 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3i6e n ARG 174 N -1.49 0.55 -0.87 3.97 1.74 -1.26 -5.15 116.66 114.15 3i6e n ARG 174 Ca 0.07 -0.41 -0.29 0.00 -0.77 0.00 0.00 57.85 56.45 3i6e n ARG 174 Cb 0.34 0.27 0.20 0.00 -1.02 0.00 0.00 32.46 32.24 3i6e n ARG 174 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3i6e s ASP 175 N -1.29 2.14 0.31 0.55 1.47 -1.26 -4.92 116.67 113.66 3i6e s ASP 175 Ca 0.03 1.50 0.01 0.00 1.18 0.00 0.00 52.55 55.27 3i6e s ASP 175 Cb 0.00 -2.19 0.50 0.00 -0.34 0.00 0.00 42.92 40.90 3i6e s ASP 175 CO 0.02 -3.48 1.89 -0.74 0.68 0.00 0.00 175.17 173.54 3i6e h HIS 176 N -2.13 0.78 -0.78 2.11 -0.00 -2.01 -2.87 115.15 110.26 3i6e h HIS 176 Ca -0.55 -0.05 0.07 0.00 -0.00 0.00 0.00 60.37 59.84 3i6e h HIS 176 Cb 1.31 -0.24 -0.06 0.00 -0.00 0.00 0.00 27.41 28.42 3i6e h HIS 176 CO 0.33 0.62 0.46 0.00 -0.00 0.00 0.00 177.93 179.34 3i6e h ALA 177 N 1.44 1.07 -0.70 5.26 0.00 -1.99 -1.27 119.26 123.07 3i6e h ALA 177 Ca 0.18 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3i6e h ALA 177 Cb 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3i6e h ALA 177 CO -0.01 0.15 0.46 0.35 0.00 0.00 0.00 179.25 180.20 3i6e h PHE 178 N 0.82 0.84 -0.09 0.00 3.57 -1.87 0.38 116.94 120.60 3i6e h PHE 178 Ca 0.35 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 3i6e h PHE 178 Cb 0.23 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 3i6e h PHE 178 CO -0.06 0.51 -0.08 -0.44 -2.23 0.00 0.00 178.31 176.01 3i6e h ASP 179 N 0.89 0.23 -0.67 0.41 3.32 -1.30 -2.65 116.42 116.65 3i6e h ASP 179 Ca 0.27 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3i6e h ASP 179 Cb -0.00 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3i6e h ASP 179 CO -0.07 0.66 0.39 0.40 -1.72 0.00 0.00 179.24 178.90 3i6e h ILE 180 N -0.19 1.20 -0.11 0.35 1.08 -0.77 -1.40 117.51 117.67 3i6e h ILE 180 Ca 0.02 -0.47 0.04 0.00 -0.39 0.00 0.00 64.86 64.06 3i6e h ILE 180 Cb 0.59 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 3i6e h ILE 180 CO 0.02 0.21 -0.14 -0.03 -0.69 0.00 0.00 178.15 177.52 3i6e h MET 181 N 0.91 -0.18 -0.60 2.37 4.05 -0.27 -1.31 114.93 119.90 3i6e h MET 181 Ca 0.24 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.60 3i6e h MET 181 Cb -0.00 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 3i6e h MET 181 CO -0.04 -0.12 0.09 0.00 0.23 0.00 0.00 176.91 177.07 3i6e h ARG 182 N -0.18 0.98 -0.56 0.39 3.08 -1.24 -2.04 114.38 114.80 3i6e h ARG 182 Ca 0.09 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 3i6e h ARG 182 Cb 0.31 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3i6e h ARG 182 CO -0.22 0.91 0.12 -0.07 -1.07 0.00 0.00 179.97 179.64 3i6e h LEU 183 N 0.92 0.82 -0.13 3.04 3.38 -0.86 -1.04 115.31 121.44 3i6e h LEU 183 Ca 0.19 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3i6e h LEU 183 Cb 0.41 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i6e h LEU 183 CO 0.01 0.81 -0.22 -0.33 0.09 0.00 0.00 178.44 178.80 3i6e h GLU 184 N 0.84 0.39 -0.68 1.13 5.08 -1.04 -2.54 114.58 117.76 3i6e h GLU 184 Ca 0.18 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3i6e h GLU 184 Cb 0.32 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3i6e h GLU 184 CO 0.00 0.82 0.27 1.25 -1.00 0.00 0.00 179.01 180.36 3i6e h LEU 185 N -0.01 0.92 -0.59 1.33 6.46 -1.26 -1.37 115.31 120.80 3i6e h LEU 185 Ca 0.01 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.57 3i6e h LEU 185 Cb 0.79 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 3i6e h LEU 185 CO 0.05 0.82 0.10 0.40 -0.62 0.00 0.00 178.44 179.19 3i6e h ILE 186 N 0.98 1.26 -0.06 4.05 2.04 -1.20 0.30 117.51 124.89 3i6e h ILE 186 Ca 0.23 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 3i6e h ILE 186 Cb 0.19 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3i6e h ILE 186 CO -0.02 0.36 -0.36 0.00 0.00 0.00 0.00 178.15 178.13 3i6e h ALA 187 N 1.02 1.29 0.00 1.87 0.00 -1.07 0.13 119.26 122.50 3i6e h ALA 187 Ca 0.18 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3i6e h ALA 187 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i6e h ALA 187 CO 0.01 0.50 -0.53 -0.09 0.00 0.00 0.00 179.25 179.15 3i6e h ARG 188 N 0.10 0.00 0.00 0.00 2.43 -0.92 -3.36 114.38 112.63 3i6e h ARG 188 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i6e h ARG 188 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3i6e h ARG 188 CO 0.05 0.88 -1.06 -0.25 -1.51 0.00 0.00 179.97 178.08 3i6e n ASP 189 N -4.55 0.62 -2.95 -3.80 8.00 0.10 -4.56 116.55 109.41 3i6e n ASP 189 Ca -0.18 -0.33 -0.16 0.00 0.71 0.00 0.00 54.79 54.83 3i6e n ASP 189 Cb 0.52 0.88 -0.01 0.00 -0.02 0.00 0.00 41.12 42.49 3i6e n ASP 189 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i6e n PHE 190 N -1.88 1.04 0.32 1.24 3.72 0.44 -4.92 117.46 117.43 3i6e n PHE 190 Ca 0.02 -3.46 0.11 0.00 -0.05 0.00 0.00 57.45 54.08 3i6e n PHE 190 Cb 0.42 -0.39 0.51 0.00 -0.94 0.00 0.00 39.48 39.08 3i6e n PHE 190 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3i6e n PRO 191 N 0.08 0.17 0.21 -1.08 -0.04 -1.16 -2.93 135.00 130.25 3i6e n PRO 191 Ca 0.21 0.48 0.04 0.00 -0.04 0.00 0.00 63.50 64.20 3i6e n PRO 191 Cb 0.69 -1.88 0.45 0.00 -0.04 0.00 0.00 33.50 32.71 3i6e n PRO 191 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i6e h GLU 192 N 0.00 0.00 -7.05 0.54 3.07 -1.91 -3.44 114.58 105.79 3i6e h GLU 192 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 3i6e h GLU 192 Cb 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3i6e h GLU 192 CO 0.00 0.26 0.35 -0.06 -1.40 0.00 0.00 179.01 178.17 3i6e s PHE 193 N -4.42 3.26 -0.08 4.33 0.08 -1.15 -4.93 117.98 115.07 3i6e s PHE 193 Ca -0.03 1.61 -0.13 0.00 0.12 0.00 0.00 56.93 58.50 3i6e s PHE 193 Cb 0.15 -2.92 -0.05 0.00 -0.57 0.00 0.00 43.02 39.63 3i6e s PHE 193 CO 0.71 -0.28 0.32 1.03 -0.10 0.00 0.00 175.22 176.89 3i6e s ARG 194 N -3.09 3.92 -0.12 0.44 0.52 -0.37 -4.98 118.95 115.27 3i6e s ARG 194 Ca 0.62 0.20 -0.02 0.00 -0.52 0.00 0.00 55.73 56.01 3i6e s ARG 194 Cb -0.12 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3i6e s ARG 194 CO 0.16 0.56 -0.05 0.08 0.02 0.00 0.00 175.30 176.06 3i6e s VAL 195 N -0.55 3.79 0.24 3.52 1.01 -1.26 -2.12 120.40 125.03 3i6e s VAL 195 Ca 0.20 -0.41 0.11 0.00 0.00 0.00 0.00 61.98 61.88 3i6e s VAL 195 Cb -0.14 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3i6e s VAL 195 CO 0.08 0.54 -0.20 -0.13 0.00 0.00 0.00 175.10 175.39 3i6e s ARG 196 N -0.07 1.68 0.04 2.72 3.00 -0.24 0.30 118.95 126.37 3i6e s ARG 196 Ca 0.01 -1.62 0.07 0.00 0.00 0.00 0.00 55.73 54.19 3i6e s ARG 196 Cb -0.13 -1.85 -0.02 0.00 0.00 0.00 0.00 34.95 32.95 3i6e s ARG 196 CO 0.03 0.37 -0.20 0.08 0.00 0.00 0.00 175.30 175.58 3i6e s VAL 197 N -2.12 1.58 -0.12 3.52 1.01 -0.25 -0.08 120.40 123.94 3i6e s VAL 197 Ca 0.26 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 3i6e s VAL 197 Cb -0.06 -1.37 0.06 0.00 0.00 0.00 0.00 36.38 35.00 3i6e s VAL 197 CO 0.13 0.20 0.15 -0.62 0.00 0.00 0.00 175.10 174.96 3i6e s ASP 198 N -1.11 1.17 0.06 3.32 -1.08 -0.46 0.28 116.67 118.84 3i6e s ASP 198 Ca 0.07 0.05 0.25 0.00 -0.52 0.00 0.00 52.55 52.40 3i6e s ASP 198 Cb -0.09 0.17 0.57 0.00 -1.46 0.00 0.00 42.92 42.11 3i6e s ASP 198 CO 0.01 -0.28 1.48 -1.22 0.52 0.00 0.00 175.17 175.69 3i6e n TYR 199 N 5.31 0.29 -3.97 -5.34 4.02 -0.48 -0.80 117.16 116.20 3i6e n TYR 199 Ca -0.05 0.08 -0.27 0.00 -0.01 0.00 0.00 57.90 57.66 3i6e n TYR 199 Cb 0.50 -0.50 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 3i6e n TYR 199 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3i6e n ASN 200 N -1.80 -1.08 -0.77 7.72 4.13 -1.22 -0.13 115.26 122.11 3i6e n ASN 200 Ca 0.05 -0.98 -0.10 0.00 1.68 0.00 0.00 54.58 55.23 3i6e n ASN 200 Cb 0.38 -3.14 -0.04 0.00 -1.54 0.00 0.00 39.78 35.45 3i6e n ASN 200 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i6e n GLN 201 N -4.41 -1.72 0.07 3.52 6.02 0.34 -4.86 117.38 116.34 3i6e n GLN 201 Ca -0.23 0.81 0.10 0.00 -0.01 0.00 0.00 57.00 57.66 3i6e n GLN 201 Cb 0.65 -5.17 0.41 0.00 1.02 0.00 0.00 30.24 27.14 3i6e n GLN 201 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i6e n GLY 202 N 0.30 -1.14 3.85 1.08 0.00 0.82 -3.88 105.19 106.21 3i6e n GLY 202 Ca -0.10 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3i6e n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 203 N -3.83 4.43 0.58 0.99 1.43 -0.49 -4.92 118.68 116.86 3i6e s LEU 203 Ca 0.05 0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 53.95 3i6e s LEU 203 Cb 0.09 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 3i6e s LEU 203 CO 0.33 0.27 0.93 -1.61 0.23 0.00 0.00 176.35 176.50 3i6e s GLU 204 N -1.38 3.35 0.16 1.70 0.41 -1.26 -4.45 118.70 117.23 3i6e s GLU 204 Ca 0.27 0.38 -0.17 0.00 -0.41 0.00 0.00 54.97 55.04 3i6e s GLU 204 Cb -0.15 -2.21 0.09 0.00 -1.78 0.00 0.00 34.13 30.08 3i6e s GLU 204 CO 0.15 -0.54 1.68 0.82 -0.49 0.00 0.00 175.26 176.87 3i6e h ILE 205 N -0.16 0.64 0.00 -1.63 2.04 -1.98 -2.19 117.51 114.23 3i6e h ILE 205 Ca -0.45 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3i6e h ILE 205 Cb 1.22 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3i6e h ILE 205 CO 0.62 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.87 3i6e n ASP 206 N -5.27 0.00 0.00 1.72 5.68 -1.26 -3.17 116.55 114.24 3i6e n ASP 206 Ca 0.02 -0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 3i6e n ASP 206 Cb 0.21 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3i6e n ASP 206 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i6e n GLU 207 N -1.16 1.15 0.09 0.11 0.28 -0.97 -4.86 120.64 115.27 3i6e n GLU 207 Ca 0.10 -0.24 -0.13 0.00 -0.16 0.00 0.00 57.16 56.73 3i6e n GLU 207 Cb 0.10 -0.70 -0.07 0.00 1.43 0.00 0.00 31.44 32.20 3i6e n GLU 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i6e h ALA 208 N 0.00 -0.15 0.33 -1.84 0.00 -1.36 -2.71 119.26 113.53 3i6e h ALA 208 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3i6e h ALA 208 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i6e h ALA 208 CO 0.00 -0.57 -0.16 0.28 0.00 0.00 0.00 179.25 178.80 3i6e h VAL 209 N -0.18 0.69 -0.61 0.00 2.07 -1.89 -1.88 116.25 114.45 3i6e h VAL 209 Ca -0.02 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3i6e h VAL 209 Cb 0.14 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3i6e h VAL 209 CO 0.03 0.05 0.38 1.55 0.02 0.00 0.00 177.57 179.59 3i6e h PRO 210 N -0.58 0.72 -0.30 1.57 0.13 -1.91 -1.27 132.00 130.36 3i6e h PRO 210 Ca -0.05 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.98 3i6e h PRO 210 Cb 0.43 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 3i6e h PRO 210 CO 0.08 0.48 -0.05 0.00 -0.23 0.00 0.00 178.00 178.27 3i6e h ARG 211 N 0.74 0.57 -0.62 0.86 3.08 -1.51 -2.12 114.38 115.39 3i6e h ARG 211 Ca 0.24 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3i6e h ARG 211 Cb 0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3i6e h ARG 211 CO -0.10 0.75 0.27 0.28 -1.07 0.00 0.00 179.97 180.11 3i6e h VAL 212 N 0.34 1.22 -0.48 2.04 2.07 -1.24 -1.80 116.25 118.41 3i6e h VAL 212 Ca 0.08 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3i6e h VAL 212 Cb 0.52 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3i6e h VAL 212 CO 0.03 0.27 0.31 -0.07 0.02 0.00 0.00 177.57 178.12 3i6e h LEU 213 N 0.86 0.55 0.35 2.57 3.38 -1.18 0.42 115.31 122.26 3i6e h LEU 213 Ca 0.21 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3i6e h LEU 213 Cb 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3i6e h LEU 213 CO -0.02 0.41 -0.18 -0.78 0.09 0.00 0.00 178.44 177.96 3i6e h ASP 214 N 0.65 -0.44 -0.60 -0.43 1.82 -1.12 -2.78 116.42 113.51 3i6e h ASP 214 Ca 0.17 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 3i6e h ASP 214 Cb -0.06 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 3i6e h ASP 214 CO -0.04 -0.30 0.38 0.58 -1.61 0.00 0.00 179.24 178.25 3i6e h VAL 215 N -0.49 1.17 0.00 2.25 2.07 -1.20 -2.05 116.25 118.00 3i6e h VAL 215 Ca -0.04 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3i6e h VAL 215 Cb 0.39 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3i6e h VAL 215 CO 0.06 0.18 -0.03 0.00 0.02 0.00 0.00 177.57 177.80 3i6e h ALA 216 N 1.57 1.32 0.00 1.67 0.00 -0.63 -0.89 119.26 122.30 3i6e h ALA 216 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3i6e h ALA 216 Cb -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i6e h ALA 216 CO -0.04 0.03 -0.03 1.96 0.00 0.00 0.00 179.25 181.17 3i6e h GLN 217 N 0.00 0.00 -0.01 0.00 1.08 -1.22 0.01 115.11 114.98 3i6e h GLN 217 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i6e h GLN 217 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3i6e h GLN 217 CO 0.00 0.03 0.00 1.19 -0.95 0.00 0.00 178.83 179.10 3i6e n PHE 218 N -3.45 0.01 -3.90 2.96 3.72 -0.34 -4.95 117.46 111.50 3i6e n PHE 218 Ca -0.02 -0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.12 3i6e n PHE 218 Cb 0.13 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 3i6e n PHE 218 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i6e n GLN 219 N -0.53 -3.31 -0.91 -1.08 6.02 -0.01 -4.95 117.38 112.60 3i6e n GLN 219 Ca 0.21 0.43 -0.30 0.00 -0.01 0.00 0.00 57.00 57.34 3i6e n GLN 219 Cb 0.20 -4.56 0.16 0.00 1.02 0.00 0.00 30.24 27.07 3i6e n GLN 219 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3i6e s PRO 220 N -6.45 0.87 0.41 -1.09 0.04 -1.26 -4.88 135.00 122.64 3i6e s PRO 220 Ca 0.04 1.11 0.07 0.00 0.04 0.00 0.00 61.00 62.26 3i6e s PRO 220 Cb -0.01 -1.74 0.86 0.00 0.04 0.00 0.00 34.50 33.64 3i6e s PRO 220 CO 0.88 -2.59 2.06 -0.44 0.04 0.00 0.00 177.00 176.94 3i6e h ASP 221 N -1.82 0.46 -4.59 6.66 3.32 -0.52 -3.45 116.42 116.49 3i6e h ASP 221 Ca -0.49 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 56.64 3i6e h ASP 221 Cb 1.28 -0.12 -0.16 0.00 0.22 0.00 0.00 39.33 40.55 3i6e h ASP 221 CO 0.49 0.34 0.49 0.72 -1.72 0.00 0.00 179.24 179.56 3i6e s PHE 222 N -5.47 -0.36 -0.16 4.55 -0.12 -1.26 -4.30 117.98 110.86 3i6e s PHE 222 Ca -0.08 0.29 0.00 0.00 -0.05 0.00 0.00 56.93 57.09 3i6e s PHE 222 Cb 0.17 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 43.09 3i6e s PHE 222 CO 0.73 -0.52 -0.15 0.42 -0.05 0.00 0.00 175.22 175.65 3i6e s ILE 223 N -2.81 2.65 -0.15 -4.49 1.01 0.21 -1.09 121.20 116.53 3i6e s ILE 223 Ca 0.04 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3i6e s ILE 223 Cb -0.01 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3i6e s ILE 223 CO -0.07 0.51 0.22 -0.70 0.00 0.00 0.00 174.94 174.90 3i6e s GLU 224 N 0.92 4.02 -0.09 2.79 2.12 0.14 -0.44 118.70 128.17 3i6e s GLU 224 Ca -0.03 -0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.23 3i6e s GLU 224 Cb -0.15 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.89 3i6e s GLU 224 CO -0.02 0.42 0.10 0.94 -0.54 0.00 0.00 175.26 176.16 3i6e n GLN 225 N 3.04 -0.27 -0.15 4.30 -0.06 0.10 -1.38 117.38 122.95 3i6e n GLN 225 Ca -0.15 0.18 -0.01 0.00 -2.00 0.00 0.00 57.00 55.02 3i6e n GLN 225 Cb 0.53 -0.31 0.24 0.00 -4.06 0.00 0.00 30.24 26.63 3i6e n GLN 225 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3i6e h PRO 226 N 0.48 0.85 -5.35 3.69 0.11 -1.88 0.99 132.00 130.90 3i6e h PRO 226 Ca -0.09 -0.11 -0.65 0.00 0.11 0.00 0.00 66.00 65.26 3i6e h PRO 226 Cb 0.22 -0.16 -0.13 0.00 0.11 0.00 0.00 31.00 31.03 3i6e h PRO 226 CO 0.04 0.67 -0.55 0.14 -0.21 0.00 0.00 178.00 178.09 3i6e s VAL 227 N -5.48 1.43 0.51 3.15 -7.23 -1.26 -1.40 120.40 110.11 3i6e s VAL 227 Ca -0.10 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.86 3i6e s VAL 227 Cb 0.17 -2.49 -0.09 0.00 0.56 0.00 0.00 36.38 34.53 3i6e s VAL 227 CO 0.78 0.00 0.80 0.54 -0.31 0.00 0.00 175.10 176.92 3i6e n ARG 228 N -1.12 0.90 -0.33 4.82 5.12 -1.25 -4.27 116.66 120.53 3i6e n ARG 228 Ca -0.13 0.33 0.12 0.00 -1.93 0.00 0.00 57.85 56.25 3i6e n ARG 228 Cb 0.67 -1.91 0.31 0.00 -1.16 0.00 0.00 32.46 30.37 3i6e n ARG 228 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i6e h ALA 229 N 0.82 1.54 0.00 7.54 0.00 -1.92 -1.34 119.26 125.89 3i6e h ALA 229 Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i6e h ALA 229 Cb 1.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3i6e h ALA 229 CO 0.52 -0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.21 3i6e n HIS 230 N -4.88 0.00 -1.54 0.00 1.44 -1.26 -4.29 115.22 104.68 3i6e n HIS 230 Ca 0.22 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.53 3i6e n HIS 230 Cb 0.59 -0.41 -0.02 0.00 0.12 0.00 0.00 29.99 30.28 3i6e n HIS 230 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3i6e n HIS 231 N -1.41 2.71 -0.23 -1.40 8.25 -0.51 -4.66 115.22 117.97 3i6e n HIS 231 Ca 0.07 -3.02 -0.07 0.00 -0.26 0.00 0.00 57.72 54.44 3i6e n HIS 231 Cb 0.20 -2.39 0.04 0.00 1.12 0.00 0.00 29.99 28.95 3i6e n HIS 231 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3i6e h PHE 232 N 5.19 0.96 -0.11 4.41 -1.00 -1.85 -0.85 116.94 123.69 3i6e h PHE 232 Ca 0.77 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 61.48 3i6e h PHE 232 Cb 0.38 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 3i6e h PHE 232 CO 1.73 0.75 0.05 0.93 -1.61 0.00 0.00 178.31 180.16 3i6e h GLU 233 N 0.89 0.16 -0.75 1.51 5.08 -1.95 -1.50 114.58 118.02 3i6e h GLU 233 Ca 0.22 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3i6e h GLU 233 Cb 0.18 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3i6e h GLU 233 CO -0.02 0.22 0.25 1.25 -1.00 0.00 0.00 179.01 179.71 3i6e h LEU 234 N 0.06 1.08 -0.62 1.33 5.85 -1.92 -1.88 115.31 119.20 3i6e h LEU 234 Ca 0.04 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3i6e h LEU 234 Cb 0.11 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3i6e h LEU 234 CO -0.00 0.99 0.40 0.24 -0.34 0.00 0.00 178.44 179.72 3i6e h MET 235 N 1.11 0.83 -0.85 1.25 2.86 -0.98 0.58 114.93 119.74 3i6e h MET 235 Ca 0.24 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 3i6e h MET 235 Cb 0.29 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3i6e h MET 235 CO -0.01 0.58 0.42 0.00 1.06 0.00 0.00 176.91 178.95 3i6e h ALA 236 N 1.21 1.14 -0.43 6.32 0.00 -0.90 -0.20 119.26 126.41 3i6e h ALA 236 Ca 0.23 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3i6e h ALA 236 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 3i6e h ALA 236 CO -0.05 0.66 0.02 0.00 0.00 0.00 0.00 179.25 179.88 3i6e h ARG 237 N 1.20 0.74 -0.50 0.00 3.08 -0.72 -2.52 114.38 115.67 3i6e h ARG 237 Ca 0.29 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3i6e h ARG 237 Cb 0.10 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3i6e h ARG 237 CO -0.04 0.81 0.29 -0.07 -1.07 0.00 0.00 179.97 179.89 3i6e h LEU 238 N 0.59 0.60 -1.43 3.04 3.38 -0.48 -1.72 115.31 119.28 3i6e h LEU 238 Ca 0.12 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3i6e h LEU 238 Cb 0.46 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i6e h LEU 238 CO 0.02 0.47 -0.01 -0.09 0.09 0.00 0.00 178.44 178.92 3i6e h ARG 239 N 0.69 0.35 -0.01 1.13 2.43 -0.61 -2.41 114.38 115.95 3i6e h ARG 239 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3i6e h ARG 239 Cb -0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3i6e h ARG 239 CO -0.03 0.39 0.00 0.41 -1.51 0.00 0.00 179.97 179.23 3i6e n GLY 240 N -1.03 -0.74 0.11 2.80 0.00 -0.65 -4.08 105.19 101.58 3i6e n GLY 240 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.78 3i6e n GLY 240 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6e h LEU 241 N 0.59 0.00 -8.62 0.99 3.38 -1.39 -3.49 115.31 106.79 3i6e h LEU 241 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3i6e h LEU 241 Cb 0.13 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.76 3i6e h LEU 241 CO 0.00 0.54 -0.41 0.42 0.09 0.00 0.00 178.44 179.09 3i6e s THR 242 N -2.95 0.00 -1.99 0.22 -4.23 -1.26 -5.04 115.64 100.39 3i6e s THR 242 Ca -0.01 -1.82 0.21 0.00 -1.18 0.00 0.00 61.69 58.89 3i6e s THR 242 Cb 0.08 -2.50 0.53 0.00 1.34 0.00 0.00 72.50 71.96 3i6e s THR 242 CO 0.79 0.00 1.45 0.47 -0.54 0.00 0.00 174.62 176.80 3i6e n ASP 243 N -0.93 3.67 -4.71 3.99 8.00 -1.26 -4.89 116.55 120.41 3i6e n ASP 243 Ca 0.03 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 3i6e n ASP 243 Cb 0.63 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 3i6e n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i6e s VAL 244 N -1.14 4.85 0.27 2.53 1.01 -1.26 -4.98 120.40 121.68 3i6e s VAL 244 Ca 0.42 2.01 -0.31 0.00 0.00 0.00 0.00 61.98 64.11 3i6e s VAL 244 Cb 0.23 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 3i6e s VAL 244 CO 0.31 0.18 1.51 -2.65 0.00 0.00 0.00 175.10 174.45 3i6e n PRO 245 N 3.80 2.40 -3.74 2.72 -0.02 -1.26 -4.83 135.00 134.07 3i6e n PRO 245 Ca 0.05 0.85 -0.37 0.00 -2.02 0.00 0.00 63.50 62.02 3i6e n PRO 245 Cb 0.51 -2.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 3i6e n PRO 245 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6e s LEU 246 N -0.21 3.50 -0.13 2.45 2.96 -1.26 -0.62 118.68 125.37 3i6e s LEU 246 Ca 0.66 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 3i6e s LEU 246 Cb -0.56 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 3i6e s LEU 246 CO 0.49 -0.05 0.13 -0.76 -1.32 0.00 0.00 176.35 174.85 3i6e s LEU 247 N 1.62 4.33 -0.07 -0.68 1.43 0.42 -0.49 118.68 125.23 3i6e s LEU 247 Ca 0.06 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 3i6e s LEU 247 Cb -0.15 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 3i6e s LEU 247 CO 0.04 0.38 0.34 0.00 0.23 0.00 0.00 176.35 177.34 3i6e s ALA 248 N -0.86 3.68 0.00 4.21 0.00 -0.33 -0.73 121.76 127.73 3i6e s ALA 248 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3i6e s ALA 248 Cb -0.12 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3i6e s ALA 248 CO 0.03 0.35 0.00 -3.47 0.00 0.00 0.00 175.76 172.67 3i6e n ASP 249 N 2.50 0.00 0.32 0.00 -0.08 -1.26 -0.95 116.55 117.08 3i6e n ASP 249 Ca -0.14 0.00 0.20 0.00 -1.51 0.00 0.00 54.79 53.34 3i6e n ASP 249 Cb 0.53 0.00 1.07 0.00 2.34 0.00 0.00 41.12 45.06 3i6e n ASP 249 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3i6e h GLU 250 N 0.00 0.00 0.00 -0.67 3.07 -1.94 -0.32 114.58 114.72 3i6e h GLU 250 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i6e h GLU 250 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i6e h GLU 250 CO 0.00 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 178.04 3i6e n SER 251 N -3.31 0.73 -3.78 1.42 7.64 -1.26 -4.62 113.62 110.44 3i6e n SER 251 Ca -0.02 0.65 -0.27 0.00 1.01 0.00 0.00 58.87 60.24 3i6e n SER 251 Cb 0.13 -0.82 -0.17 0.00 -1.01 0.00 0.00 64.21 62.35 3i6e n SER 251 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i6e s VAL 252 N -3.27 0.62 -0.14 0.44 1.01 -0.13 -4.89 120.40 114.03 3i6e s VAL 252 Ca 0.06 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 3i6e s VAL 252 Cb 0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3i6e s VAL 252 CO 0.45 -0.02 -0.25 -1.22 0.00 0.00 0.00 175.10 174.06 3i6e n TYR 253 N 5.03 0.26 -3.86 5.22 4.02 -1.26 -4.84 117.16 121.73 3i6e n TYR 253 Ca -0.09 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3i6e n TYR 253 Cb 0.48 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 3i6e n TYR 253 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i6e n GLY 254 N 1.52 4.56 0.36 2.72 0.00 -1.26 -2.72 105.19 110.37 3i6e n GLY 254 Ca -0.10 -2.01 0.11 0.00 0.00 0.00 0.00 46.02 44.02 3i6e n GLY 254 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i6e h PRO 255 N 0.00 0.81 -0.14 1.61 0.11 -1.91 -0.62 132.00 131.85 3i6e h PRO 255 Ca 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3i6e h PRO 255 Cb 0.00 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 3i6e h PRO 255 CO 0.00 0.53 0.08 0.93 -0.21 0.00 0.00 178.00 179.34 3i6e h GLU 256 N 0.83 0.19 -0.52 1.05 3.07 -1.98 -0.71 114.58 116.51 3i6e h GLU 256 Ca 0.52 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.28 3i6e h GLU 256 Cb 0.73 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 3i6e h GLU 256 CO -0.30 0.17 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.02 3i6e h ASP 257 N 0.16 0.87 -0.76 1.42 3.32 -1.75 -2.62 116.42 117.06 3i6e h ASP 257 Ca 0.05 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 3i6e h ASP 257 Cb 0.03 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3i6e h ASP 257 CO -0.01 0.94 0.33 -0.03 -1.72 0.00 0.00 179.24 178.76 3i6e h MET 258 N 0.82 1.11 -0.36 3.56 4.05 -0.72 0.29 114.93 123.68 3i6e h MET 258 Ca 0.15 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3i6e h MET 258 Cb 0.52 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 3i6e h MET 258 CO 0.03 0.88 0.23 0.28 0.23 0.00 0.00 176.91 178.56 3i6e h VAL 259 N 1.08 1.11 -0.23 -5.77 2.07 -0.97 0.04 116.25 113.57 3i6e h VAL 259 Ca 0.26 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3i6e h VAL 259 Cb 0.16 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3i6e h VAL 259 CO -0.03 0.11 0.05 -0.09 0.02 0.00 0.00 177.57 177.63 3i6e h ARG 260 N 0.48 0.38 -0.98 1.57 2.43 -1.05 -2.00 114.38 115.21 3i6e h ARG 260 Ca 0.13 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3i6e h ARG 260 Cb -0.02 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3i6e h ARG 260 CO -0.03 0.49 0.65 0.00 -1.51 0.00 0.00 179.97 179.58 3i6e h ALA 261 N 0.87 1.25 -0.40 2.80 0.00 -0.24 -1.44 119.26 122.09 3i6e h ALA 261 Ca 0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3i6e h ALA 261 Cb 0.29 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3i6e h ALA 261 CO 0.00 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.86 3i6e h ALA 262 N 1.36 0.54 -0.86 0.00 0.00 -0.90 -1.66 119.26 117.73 3i6e h ALA 262 Ca 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i6e h ALA 262 Cb -0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3i6e h ALA 262 CO -0.08 0.35 0.51 1.25 0.00 0.00 0.00 179.25 181.28 3i6e h HIS 263 N 0.54 1.14 -0.01 0.00 6.17 -0.95 -2.43 115.15 119.61 3i6e h HIS 263 Ca 0.11 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.18 3i6e h HIS 263 Cb 0.53 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 30.08 3i6e h HIS 263 CO 0.04 0.77 -0.09 0.39 0.71 0.00 0.00 177.93 179.75 3i6e n GLU 264 N -4.41 0.94 -3.61 5.26 1.02 -0.58 -4.95 120.64 114.30 3i6e n GLU 264 Ca 0.09 -0.37 -0.21 0.00 -0.02 0.00 0.00 57.16 56.65 3i6e n GLU 264 Cb 0.06 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3i6e n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i6e n GLY 265 N 1.22 -0.35 0.04 0.62 0.00 -0.66 -4.82 105.19 101.25 3i6e n GLY 265 Ca 0.17 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.45 3i6e n GLY 265 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i6e n ILE 266 N -4.32 0.00 -3.92 -0.61 -5.35 -1.02 -4.42 119.36 99.72 3i6e n ILE 266 Ca -0.24 -0.02 -0.09 0.00 -0.27 0.00 0.00 62.75 62.12 3i6e n ILE 266 Cb 0.65 -0.09 -0.02 0.00 -1.74 0.00 0.00 39.64 38.44 3i6e n ILE 266 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i6e n ASP 268 N -0.83 0.72 -3.63 0.00 8.00 0.35 -4.98 116.55 116.18 3i6e n ASP 268 Ca -0.04 -0.70 -0.02 0.00 0.71 0.00 0.00 54.79 54.75 3i6e n ASP 268 Cb 0.60 1.05 -0.00 0.00 -0.02 0.00 0.00 41.12 42.76 3i6e n ASP 268 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i6e s GLY 269 N -2.23 -0.20 0.03 0.44 0.00 -1.17 -1.63 107.32 102.57 3i6e s GLY 269 Ca 0.04 0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.94 3i6e s GLY 269 CO 0.48 0.91 -0.07 0.54 0.00 0.00 0.00 173.10 174.96 3i6e s VAL 270 N -2.73 0.48 -0.30 1.40 0.11 -0.21 -1.19 120.40 117.97 3i6e s VAL 270 Ca 0.16 -0.80 -0.19 0.00 -2.93 0.00 0.00 61.98 58.22 3i6e s VAL 270 Cb 0.00 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 3i6e s VAL 270 CO 0.01 -0.22 0.56 -0.55 -3.33 0.00 0.00 175.10 171.57 3i6e s SER 271 N -1.10 6.43 -0.19 3.54 0.15 -0.12 -1.42 113.70 120.99 3i6e s SER 271 Ca -0.06 0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.80 3i6e s SER 271 Cb -0.07 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 3i6e s SER 271 CO 0.00 -0.42 0.23 -0.63 1.20 0.00 0.00 173.24 173.62 3i6e s ILE 272 N 2.46 5.34 -0.03 6.45 1.01 0.49 -4.78 121.20 132.14 3i6e s ILE 272 Ca 0.22 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.26 3i6e s ILE 272 Cb -0.15 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.78 3i6e s ILE 272 CO 0.11 0.39 0.00 -0.54 0.00 0.00 0.00 174.94 174.91 3i6e s LYS 273 N 0.56 0.27 0.48 2.79 1.02 -1.26 -1.52 119.74 122.07 3i6e s LYS 273 Ca 0.13 0.09 0.16 0.00 0.02 0.00 0.00 55.97 56.37 3i6e s LYS 273 Cb -0.12 -0.47 1.13 0.00 -0.52 0.00 0.00 37.83 37.85 3i6e s LYS 273 CO 0.02 -0.15 2.05 -0.84 -0.92 0.00 0.00 175.35 175.51 3i6e h ILE 274 N 6.25 1.04 0.00 2.17 3.07 -1.86 -0.52 117.51 127.66 3i6e h ILE 274 Ca -0.41 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.57 3i6e h ILE 274 Cb 1.13 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 3i6e h ILE 274 CO 0.46 0.12 0.00 0.24 -1.05 0.00 0.00 178.15 177.92 3i6e h MET 275 N 0.00 0.00 0.02 0.16 2.86 -1.92 -0.37 114.93 115.69 3i6e h MET 275 Ca -0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.28 3i6e h MET 275 Cb 0.22 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3i6e h MET 275 CO 0.02 0.00 -1.99 1.63 1.06 0.00 0.00 176.91 177.63 3i6e n LYS 276 N -3.00 0.62 0.19 1.72 5.02 -0.31 -2.85 118.16 119.55 3i6e n LYS 276 Ca -0.01 0.36 0.14 0.00 -2.02 0.00 0.00 58.31 56.78 3i6e n LYS 276 Cb 0.19 -1.62 0.59 0.00 -0.02 0.00 0.00 35.03 34.16 3i6e n LYS 276 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i6e h SER 277 N -0.67 0.00 -1.18 4.39 4.64 -1.06 -3.40 113.55 116.28 3i6e h SER 277 Ca -0.51 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.64 3i6e h SER 277 Cb 1.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.70 3i6e h SER 277 CO -0.21 0.00 -0.22 0.61 -0.87 0.00 0.00 176.83 176.14 3i6e n GLY 278 N -0.07 0.07 0.00 -0.77 0.00 -0.16 -4.73 105.19 99.52 3i6e n GLY 278 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3i6e n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 279 N -1.05 3.48 0.18 -0.02 0.00 -1.16 -3.64 105.19 102.97 3i6e n GLY 279 Ca -0.10 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 3i6e n GLY 279 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6e h LEU 280 N 0.00 0.64 -0.36 0.99 4.07 -1.89 -2.68 115.31 116.08 3i6e h LEU 280 Ca 0.00 -0.60 -0.01 0.00 0.08 0.00 0.00 57.88 57.35 3i6e h LEU 280 Cb 0.00 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 3i6e h LEU 280 CO 0.00 1.13 0.18 0.74 -1.08 0.00 0.00 178.44 179.41 3i6e h THR 281 N 0.19 1.16 -0.48 0.22 2.02 -1.97 -1.93 112.91 112.13 3i6e h THR 281 Ca -0.01 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.73 3i6e h THR 281 Cb 1.07 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3i6e h THR 281 CO 0.10 0.17 0.32 0.03 0.37 0.00 0.00 175.52 176.50 3i6e h ARG 282 N 0.45 0.59 -0.56 6.66 3.08 -1.86 -0.30 114.38 122.44 3i6e h ARG 282 Ca 0.13 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 3i6e h ARG 282 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3i6e h ARG 282 CO -0.02 0.39 0.02 0.00 -1.07 0.00 0.00 179.97 179.29 3i6e h ALA 283 N 1.71 0.98 -0.52 0.04 0.00 -1.06 -1.71 119.26 118.69 3i6e h ALA 283 Ca 0.18 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3i6e h ALA 283 Cb -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3i6e h ALA 283 CO -0.04 0.63 -0.13 1.96 0.00 0.00 0.00 179.25 181.66 3i6e h GLN 284 N 0.88 1.00 -0.67 0.00 4.20 -0.41 -2.49 115.11 117.61 3i6e h GLN 284 Ca 0.17 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 3i6e h GLN 284 Cb 0.48 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3i6e h GLN 284 CO 0.02 1.06 0.26 1.15 -0.67 0.00 0.00 178.83 180.65 3i6e h THR 285 N 0.88 1.23 -0.54 -0.54 2.02 -0.82 0.33 112.91 115.47 3i6e h THR 285 Ca 0.13 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3i6e h THR 285 Cb 0.70 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3i6e h THR 285 CO 0.05 0.30 0.29 0.58 0.37 0.00 0.00 175.52 177.11 3i6e h VAL 286 N 0.97 1.19 -0.64 3.16 2.07 -1.05 -0.55 116.25 121.39 3i6e h VAL 286 Ca 0.23 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3i6e h VAL 286 Cb 0.20 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3i6e h VAL 286 CO -0.02 0.20 0.15 0.00 0.02 0.00 0.00 177.57 177.92 3i6e h ALA 287 N 1.12 0.85 -0.37 1.67 0.00 -0.95 -1.46 119.26 120.12 3i6e h ALA 287 Ca 0.19 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3i6e h ALA 287 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i6e h ALA 287 CO -0.03 0.58 -0.26 0.00 0.00 0.00 0.00 179.25 179.53 3i6e h ARG 288 N 0.96 0.77 -0.37 0.00 3.08 -0.70 -1.46 114.38 116.66 3i6e h ARG 288 Ca 0.20 -0.33 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 3i6e h ARG 288 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3i6e h ARG 288 CO 0.00 0.95 -0.12 0.82 -1.07 0.00 0.00 179.97 180.55 3i6e h ILE 289 N 0.66 1.28 -0.28 2.04 2.04 -0.93 -1.68 117.51 120.65 3i6e h ILE 289 Ca 0.08 -1.21 0.02 0.00 1.00 0.00 0.00 64.86 64.75 3i6e h ILE 289 Cb 0.78 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3i6e h ILE 289 CO 0.06 0.40 0.13 0.00 0.00 0.00 0.00 178.15 178.75 3i6e h ALA 290 N 0.81 0.33 -0.92 1.87 0.00 -1.12 -2.34 119.26 117.90 3i6e h ALA 290 Ca 0.09 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i6e h ALA 290 Cb 0.64 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3i6e h ALA 290 CO 0.04 -0.26 0.61 0.00 0.00 0.00 0.00 179.25 179.64 3i6e h ALA 291 N 1.14 1.36 0.00 0.00 0.00 -1.15 0.86 119.26 121.47 3i6e h ALA 291 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i6e h ALA 291 Cb 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3i6e h ALA 291 CO -0.08 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.74 3i6e h ALA 292 N 1.43 1.09 -0.59 0.00 0.00 -0.78 -0.70 119.26 119.71 3i6e h ALA 292 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3i6e h ALA 292 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3i6e h ALA 292 CO -0.08 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.91 3i6e n HIS 293 N -3.23 0.79 -2.39 0.00 8.25 0.08 -4.95 115.22 113.76 3i6e n HIS 293 Ca -0.02 -0.46 -0.10 0.00 -0.26 0.00 0.00 57.72 56.87 3i6e n HIS 293 Cb 0.15 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.26 3i6e n HIS 293 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i6e n GLY 294 N 1.34 0.02 3.54 -1.41 0.00 -0.27 -5.03 105.19 103.39 3i6e n GLY 294 Ca 0.21 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3i6e n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 295 N -3.17 2.99 0.70 0.99 1.43 0.02 -4.98 118.68 116.66 3i6e s LEU 295 Ca 0.07 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 3i6e s LEU 295 Cb -0.03 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.54 3i6e s LEU 295 CO 0.08 0.32 1.08 0.00 0.23 0.00 0.00 176.35 178.07 3i6e s MET 296 N -1.04 2.78 0.01 1.70 0.23 -0.64 -3.41 119.30 118.93 3i6e s MET 296 Ca 0.14 0.37 0.03 0.00 -1.03 0.00 0.00 55.69 55.20 3i6e s MET 296 Cb -0.11 -2.05 -0.01 0.00 -1.53 0.00 0.00 34.83 31.13 3i6e s MET 296 CO 0.03 -1.05 -0.09 0.00 -2.03 0.00 0.00 175.02 171.88 3i6e s ALA 297 N -3.34 0.75 0.05 3.16 0.00 -1.26 -1.04 121.76 120.09 3i6e s ALA 297 Ca 0.58 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3i6e s ALA 297 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3i6e s ALA 297 CO 0.51 0.15 -0.18 -0.47 0.00 0.00 0.00 175.76 175.76 3i6e s TYR 298 N -0.49 1.58 -1.15 0.00 5.04 -0.50 -2.50 117.35 119.33 3i6e s TYR 298 Ca 0.01 -0.38 -0.15 0.00 -2.44 0.00 0.00 57.07 54.11 3i6e s TYR 298 Cb -0.05 -0.92 0.15 0.00 0.35 0.00 0.00 41.96 41.49 3i6e s TYR 298 CO 0.00 0.09 1.39 0.20 -1.34 0.00 0.00 175.55 175.88 3i6e s GLY 299 N -1.29 2.22 0.92 8.97 0.00 0.22 -0.38 107.32 117.99 3i6e s GLY 299 Ca 0.05 -3.18 -0.15 0.00 0.00 0.00 0.00 44.72 41.44 3i6e s GLY 299 CO 0.02 2.10 1.28 -0.32 0.00 0.00 0.00 173.10 176.18 3i6e s GLY 300 N 3.15 1.73 0.23 0.20 0.00 -0.58 -1.61 107.32 110.45 3i6e s GLY 300 Ca 0.41 -1.05 -0.20 0.00 0.00 0.00 0.00 44.72 43.89 3i6e s GLY 300 CO -0.02 -0.35 0.62 0.51 0.00 0.00 0.00 173.10 173.87 3i6e s ASP 301 N -4.79 -0.30 0.00 1.64 -4.77 -1.26 -4.52 116.67 102.67 3i6e s ASP 301 Ca 0.71 -0.50 0.00 0.00 -3.30 0.00 0.00 52.55 49.45 3i6e s ASP 301 Cb -0.06 0.65 0.00 0.00 -1.09 0.00 0.00 42.92 42.43 3i6e s ASP 301 CO 0.52 -1.19 0.00 0.23 0.70 0.00 0.00 175.17 175.43 3i6e n MET 302 N -0.41 1.47 -2.72 2.11 2.81 -1.26 -4.96 117.12 114.15 3i6e n MET 302 Ca -0.08 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.38 3i6e n MET 302 Cb 0.61 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.12 3i6e n MET 302 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i6e s PHE 303 N 1.09 3.05 0.48 2.03 0.08 -1.26 -4.92 117.98 118.53 3i6e s PHE 303 Ca 0.00 -1.79 0.07 0.00 0.12 0.00 0.00 56.93 55.32 3i6e s PHE 303 Cb 0.00 -4.58 0.01 0.00 -0.57 0.00 0.00 43.02 37.88 3i6e s PHE 303 CO 0.00 -1.65 0.41 -1.83 -0.10 0.00 0.00 175.22 172.04 3i6e s GLU 304 N 3.23 2.37 0.02 0.44 -1.05 -1.26 -4.81 118.70 117.63 3i6e s GLU 304 Ca 0.49 -1.78 0.00 0.00 -0.15 0.00 0.00 54.97 53.53 3i6e s GLU 304 Cb 0.01 -2.24 0.00 0.00 -0.44 0.00 0.00 34.13 31.46 3i6e s GLU 304 CO 0.04 -0.42 0.01 0.00 0.95 0.00 0.00 175.26 175.84 3i6e n ALA 305 N -1.67 0.02 0.03 -0.84 0.00 -1.26 -4.43 120.51 112.36 3i6e n ALA 305 Ca 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.45 3i6e n ALA 305 Cb 0.63 0.03 0.46 0.00 0.00 0.00 0.00 19.45 20.56 3i6e n ALA 305 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i6e h GLY 306 N 0.02 0.50 0.89 0.00 0.00 -1.96 -1.80 103.07 100.72 3i6e h GLY 306 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3i6e h GLY 306 CO 0.02 0.18 0.08 -2.00 0.00 0.00 0.00 176.54 174.82 3i6e h LEU 307 N 0.48 0.33 -0.75 3.11 5.85 -1.97 -0.57 115.31 121.79 3i6e h LEU 307 Ca 0.14 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 3i6e h LEU 307 Cb -0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3i6e h LEU 307 CO -0.03 0.43 -0.03 0.00 -0.34 0.00 0.00 178.44 178.47 3i6e h ALA 308 N 0.92 0.95 -0.79 1.25 0.00 -1.82 -2.55 119.26 117.21 3i6e h ALA 308 Ca 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3i6e h ALA 308 Cb 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3i6e h ALA 308 CO -0.00 0.63 0.52 0.45 0.00 0.00 0.00 179.25 180.85 3i6e h HIS 309 N 0.85 0.99 -0.48 0.00 3.86 -1.01 -1.07 115.15 118.28 3i6e h HIS 309 Ca 0.15 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 3i6e h HIS 309 Cb 0.54 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 3i6e h HIS 309 CO 0.03 0.61 0.18 -0.07 0.86 0.00 0.00 177.93 179.55 3i6e h LEU 310 N 1.06 0.68 -0.39 2.43 3.38 -0.86 0.14 115.31 121.75 3i6e h LEU 310 Ca 0.30 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i6e h LEU 310 Cb -0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3i6e h LEU 310 CO -0.07 0.67 0.26 0.00 0.09 0.00 0.00 178.44 179.38 3i6e h ALA 311 N 1.03 0.49 -0.39 1.53 0.00 -1.09 -0.47 119.26 120.37 3i6e h ALA 311 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3i6e h ALA 311 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i6e h ALA 311 CO -0.01 -0.06 -0.00 0.78 0.00 0.00 0.00 179.25 179.96 3i6e h GLY 312 N 0.52 0.67 0.88 0.00 0.00 -0.94 -2.23 103.07 101.98 3i6e h GLY 312 Ca 0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3i6e h GLY 312 CO -0.04 0.39 -0.05 -0.84 0.00 0.00 0.00 176.54 176.00 3i6e h THR 313 N 0.59 1.27 -0.52 4.70 2.02 -0.04 -1.89 112.91 119.04 3i6e h THR 313 Ca 0.12 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 3i6e h THR 313 Cb 0.38 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3i6e h THR 313 CO 0.01 0.34 0.09 0.45 0.37 0.00 0.00 175.52 176.78 3i6e h HIS 314 N 0.33 0.85 -0.24 3.16 3.86 -0.96 0.17 115.15 122.32 3i6e h HIS 314 Ca 0.08 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 3i6e h HIS 314 Cb 0.52 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3i6e h HIS 314 CO 0.05 0.74 -0.06 0.00 0.86 0.00 0.00 177.93 179.52 3i6e h MET 315 N 0.78 0.46 -0.14 2.45 -0.00 -1.28 -2.77 114.93 114.44 3i6e h MET 315 Ca 0.17 -0.17 -0.08 0.00 -0.00 0.00 0.00 59.70 59.61 3i6e h MET 315 Cb 0.34 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.91 3i6e h MET 315 CO 0.01 0.68 -0.28 0.82 -0.00 0.00 0.00 176.91 178.14 3i6e h ILE 316 N 0.20 1.25 -0.41 -0.10 2.04 -1.19 -2.19 117.51 117.11 3i6e h ILE 316 Ca 0.06 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.73 3i6e h ILE 316 Cb 0.51 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3i6e h ILE 316 CO 0.02 0.36 0.27 0.00 0.00 0.00 0.00 178.15 178.81 3i6e h ALA 317 N 1.49 1.71 -0.67 1.87 0.00 -0.75 -1.71 119.26 121.20 3i6e h ALA 317 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i6e h ALA 317 Cb 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i6e h ALA 317 CO 0.04 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3i6e n ALA 318 N -2.48 2.66 -3.77 0.00 0.00 -0.86 -0.98 120.51 115.09 3i6e n ALA 318 Ca 0.03 -1.33 -0.30 0.00 0.00 0.00 0.00 53.44 51.85 3i6e n ALA 318 Cb 0.06 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 3i6e n ALA 318 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i6e s THR 319 N -1.38 1.55 0.51 0.00 2.01 -0.65 -4.89 115.64 112.79 3i6e s THR 319 Ca 0.47 -2.47 0.22 0.00 0.31 0.00 0.00 61.69 60.22 3i6e s THR 319 Cb 0.27 -2.10 0.37 0.00 0.01 0.00 0.00 72.50 71.05 3i6e s THR 319 CO 0.28 -0.83 2.01 -0.65 -0.69 0.00 0.00 174.62 174.75 3i6e h PRO 320 N 6.96 0.07 0.00 4.92 0.11 -1.87 -2.48 132.00 139.71 3i6e h PRO 320 Ca -0.04 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3i6e h PRO 320 Cb 0.94 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3i6e h PRO 320 CO 0.51 0.05 -0.04 0.93 -0.21 0.00 0.00 178.00 179.24 3i6e h GLU 321 N 0.07 0.00 -5.39 1.05 3.07 -1.93 -3.38 114.58 108.07 3i6e h GLU 321 Ca 0.23 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.44 3i6e h GLU 321 Cb 0.80 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.56 3i6e h GLU 321 CO -0.02 0.04 0.38 0.42 -1.40 0.00 0.00 179.01 178.43 3i6e s ILE 322 N -4.29 4.54 -0.42 3.13 1.01 -0.94 -4.00 121.20 120.24 3i6e s ILE 322 Ca -0.04 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.42 3i6e s ILE 322 Cb 0.13 -4.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.09 3i6e s ILE 322 CO 0.52 -1.14 0.42 0.35 0.00 0.00 0.00 174.94 175.10 3i6e n THR 323 N 5.90 0.00 0.61 2.92 -2.24 -1.05 -4.70 114.28 115.73 3i6e n THR 323 Ca -0.03 -0.45 0.06 0.00 -2.27 0.00 0.00 64.05 61.36 3i6e n THR 323 Cb 0.46 1.05 0.19 0.00 -2.10 0.00 0.00 70.33 69.93 3i6e n THR 323 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i6e n LEU 324 N -0.40 2.35 0.00 3.22 4.77 -1.04 -5.05 117.00 120.84 3i6e n LEU 324 Ca 0.02 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 3i6e n LEU 324 Cb 0.10 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3i6e n LEU 324 CO 0.06 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3i6e n GLY 325 N 1.06 -1.84 3.19 -0.72 0.00 -1.26 -4.80 105.19 100.82 3i6e n GLY 325 Ca 0.14 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 3i6e n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e n GLU 327 N -0.13 3.11 -2.02 0.00 0.28 -0.63 -0.37 120.64 120.88 3i6e n GLU 327 Ca -0.05 -4.15 -0.42 0.00 -0.16 0.00 0.00 57.16 52.38 3i6e n GLU 327 Cb 0.64 -2.10 0.00 0.00 1.43 0.00 0.00 31.44 31.41 3i6e n GLU 327 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i6e n PHE 328 N -0.54 3.09 -0.02 -1.84 3.72 -1.26 -4.54 117.46 116.07 3i6e n PHE 328 Ca 0.35 -2.88 0.07 0.00 -0.05 0.00 0.00 57.45 54.94 3i6e n PHE 328 Cb 0.82 -2.20 -0.15 0.00 -0.94 0.00 0.00 39.48 37.01 3i6e n PHE 328 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3i6e n TYR 329 N 4.52 0.00 -0.31 1.38 0.18 -1.26 -4.65 117.16 117.01 3i6e n TYR 329 Ca 0.48 0.00 0.07 0.00 1.88 0.00 0.00 57.90 60.33 3i6e n TYR 329 Cb 0.36 -0.50 0.22 0.00 -0.38 0.00 0.00 39.34 39.04 3i6e n TYR 329 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3i6e h GLN 330 N 0.00 0.73 -0.54 -3.48 7.50 -1.84 0.29 115.11 117.77 3i6e h GLN 330 Ca -0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 59.01 3i6e h GLN 330 Cb 1.04 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 28.38 3i6e h GLN 330 CO 0.00 0.48 0.21 0.00 -1.50 0.00 0.00 178.83 178.02 3i6e h ALA 331 N 1.54 1.36 0.19 3.87 0.00 -1.83 0.15 119.26 124.55 3i6e h ALA 331 Ca 0.47 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.90 3i6e h ALA 331 Cb 0.58 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3i6e h ALA 331 CO -0.32 0.48 -1.59 0.77 0.00 0.00 0.00 179.25 178.59 3i6e h SER 332 N 0.77 0.64 0.00 0.00 0.02 -1.50 -3.42 113.55 110.07 3i6e h SER 332 Ca 0.18 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 3i6e h SER 332 Cb 0.16 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3i6e h SER 332 CO -0.02 1.73 0.00 -1.22 -1.14 0.00 0.00 176.83 176.18 3i6e n TYR 333 N -3.70 0.00 -0.03 3.45 4.01 0.89 -4.90 117.16 116.88 3i6e n TYR 333 Ca -0.22 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.46 3i6e n TYR 333 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.06 3i6e n TYR 333 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i6e n PHE 334 N -0.18 0.00 -2.45 -0.72 7.35 -0.02 -4.98 117.46 116.45 3i6e n PHE 334 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 3i6e n PHE 334 Cb 0.02 -0.19 -0.04 0.00 0.35 0.00 0.00 39.48 39.62 3i6e n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3i6e s LEU 335 N -6.29 4.44 0.26 -2.13 1.43 0.34 -4.58 118.68 112.14 3i6e s LEU 335 Ca -0.08 2.10 -0.05 0.00 -1.03 0.00 0.00 54.13 55.07 3i6e s LEU 335 Cb 0.03 -3.60 0.29 0.00 0.03 0.00 0.00 46.19 42.94 3i6e s LEU 335 CO 0.09 -0.33 1.92 -1.13 0.23 0.00 0.00 176.35 177.13 3i6e h ASN 336 N 5.64 1.10 -4.04 2.29 -1.24 -1.40 -3.43 115.58 114.50 3i6e h ASN 336 Ca -0.44 -0.05 -0.15 0.00 0.71 0.00 0.00 56.30 56.37 3i6e h ASN 336 Cb 1.21 -0.28 -0.24 0.00 0.73 0.00 0.00 38.32 39.74 3i6e h ASN 336 CO 0.75 0.82 -0.39 -0.70 -1.29 0.00 0.00 177.43 176.62 3i6e s GLU 337 N -5.99 0.37 0.58 6.67 2.12 -1.26 -5.09 118.70 116.10 3i6e s GLU 337 Ca -0.13 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.48 3i6e s GLU 337 Cb 0.18 0.17 0.05 0.00 0.26 0.00 0.00 34.13 34.79 3i6e s GLU 337 CO 0.82 -0.06 0.81 0.34 -0.54 0.00 0.00 175.26 176.63 3i6e s ASP 338 N -0.12 5.10 0.00 -1.70 2.15 -1.26 -4.88 116.67 115.95 3i6e s ASP 338 Ca -0.03 -0.12 0.22 0.00 0.43 0.00 0.00 52.55 53.06 3i6e s ASP 338 Cb -0.03 -0.66 0.16 0.00 -0.30 0.00 0.00 42.92 42.09 3i6e s ASP 338 CO 0.01 -1.28 1.18 2.30 -0.17 0.00 0.00 175.17 177.21 3i6e n ILE 339 N -2.43 0.00 -2.38 4.11 -5.35 -1.26 -4.99 119.36 107.06 3i6e n ILE 339 Ca 0.10 -0.48 -0.31 0.00 -0.27 0.00 0.00 62.75 61.79 3i6e n ILE 339 Cb 0.60 1.44 -0.02 0.00 -1.74 0.00 0.00 39.64 39.93 3i6e n ILE 339 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i6e s LEU 340 N -1.88 3.55 0.41 7.28 1.43 -1.26 -0.26 118.68 127.95 3i6e s LEU 340 Ca 0.25 1.33 0.22 0.00 -1.03 0.00 0.00 54.13 54.91 3i6e s LEU 340 Cb 0.18 -4.29 0.48 0.00 0.03 0.00 0.00 46.19 42.59 3i6e s LEU 340 CO 0.30 -0.63 1.65 -0.33 0.23 0.00 0.00 176.35 177.57 3i6e h GLU 341 N 0.53 0.00 -4.44 1.70 5.08 -1.09 -3.43 114.58 112.93 3i6e h GLU 341 Ca -0.46 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.53 3i6e h GLU 341 Cb 1.19 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.14 3i6e h GLU 341 CO 0.62 0.17 -0.77 0.95 -1.00 0.00 0.00 179.01 178.99 3i6e s THR 342 N -3.27 0.56 0.26 1.13 -4.23 -1.26 -5.05 115.64 103.78 3i6e s THR 342 Ca 0.04 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 59.99 3i6e s THR 342 Cb 0.07 -0.49 -0.15 0.00 1.34 0.00 0.00 72.50 73.27 3i6e s THR 342 CO 0.67 0.17 0.95 -2.65 -0.54 0.00 0.00 174.62 173.22 3i6e n PRO 343 N 3.10 1.09 -2.13 3.99 -0.02 -1.26 -4.88 135.00 134.89 3i6e n PRO 343 Ca -0.15 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 3i6e n PRO 343 Cb 0.56 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.31 3i6e n PRO 343 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i6e s PHE 344 N -0.91 2.10 -0.08 6.00 5.36 -1.26 -4.91 117.98 124.28 3i6e s PHE 344 Ca 0.62 0.60 -0.30 0.00 -0.96 0.00 0.00 56.93 56.89 3i6e s PHE 344 Cb -0.76 -4.06 -0.05 0.00 -0.34 0.00 0.00 43.02 37.81 3i6e s PHE 344 CO 0.58 -2.74 1.63 1.03 -1.46 0.00 0.00 175.22 174.25 3i6e s ARG 345 N 4.93 4.14 -0.15 10.12 0.52 -1.26 -4.95 118.95 132.30 3i6e s ARG 345 Ca 0.71 2.10 -0.02 0.00 -0.52 0.00 0.00 55.73 58.00 3i6e s ARG 345 Cb -0.22 -3.98 0.05 0.00 0.52 0.00 0.00 34.95 31.32 3i6e s ARG 345 CO 0.30 -0.89 0.02 0.08 0.02 0.00 0.00 175.30 174.83 3i6e s VAL 346 N 4.15 0.53 -0.16 3.52 1.01 -1.26 -1.76 120.40 126.43 3i6e s VAL 346 Ca 0.72 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.37 3i6e s VAL 346 Cb -0.32 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.18 3i6e s VAL 346 CO 0.28 -0.02 -0.19 -1.61 0.00 0.00 0.00 175.10 173.56 3i6e s GLU 347 N 1.87 3.06 -1.41 2.72 2.02 0.03 -4.72 118.70 122.28 3i6e s GLU 347 Ca 0.01 -0.82 -0.06 0.00 0.02 0.00 0.00 54.97 54.12 3i6e s GLU 347 Cb -0.15 -2.53 0.04 0.00 0.10 0.00 0.00 34.13 31.58 3i6e s GLU 347 CO -0.07 -0.07 0.81 0.00 0.02 0.00 0.00 175.26 175.94 3i6e n ALA 348 N 4.25 -1.70 -1.20 5.21 0.00 -1.26 -1.31 120.51 124.50 3i6e n ALA 348 Ca -0.20 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 3i6e n ALA 348 Cb 0.51 -3.02 -0.03 0.00 0.00 0.00 0.00 19.45 16.92 3i6e n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6e n GLY 349 N -1.65 0.86 3.11 0.00 0.00 -1.16 -4.64 105.19 101.72 3i6e n GLY 349 Ca -0.15 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3i6e n GLY 349 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6e s GLN 350 N -2.23 2.42 0.20 1.61 -1.52 -0.43 -1.68 119.66 118.04 3i6e s GLN 350 Ca 0.00 -0.65 -0.30 0.00 -1.95 0.00 0.00 55.36 52.46 3i6e s GLN 350 Cb 0.00 -1.93 -0.08 0.00 -0.22 0.00 0.00 33.01 30.78 3i6e s GLN 350 CO 0.00 0.06 1.22 0.08 -0.25 0.00 0.00 175.29 176.40 3i6e s VAL 351 N 0.63 3.42 -0.20 1.09 1.01 0.16 -0.79 120.40 125.73 3i6e s VAL 351 Ca -0.14 1.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 3i6e s VAL 351 Cb -0.16 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3i6e s VAL 351 CO 0.04 0.20 0.33 -0.63 0.00 0.00 0.00 175.10 175.04 3i6e s ILE 352 N -0.16 5.25 -0.29 2.22 -1.09 -0.72 -0.62 121.20 125.80 3i6e s ILE 352 Ca 0.53 0.57 -0.29 0.00 -2.23 0.00 0.00 60.65 59.22 3i6e s ILE 352 Cb -0.34 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 36.88 3i6e s ILE 352 CO 0.38 0.30 1.21 -0.69 -1.23 0.00 0.00 174.94 174.91 3i6e s VAL 353 N 1.08 4.30 0.62 2.92 1.01 -0.61 -4.81 120.40 124.91 3i6e s VAL 353 Ca 0.16 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.46 3i6e s VAL 353 Cb -0.14 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3i6e s VAL 353 CO 0.06 -0.43 1.22 -2.84 0.00 0.00 0.00 175.10 173.11 3i6e s PRO 354 N 3.88 2.79 0.00 2.72 0.02 -1.26 -4.95 135.00 138.20 3i6e s PRO 354 Ca 0.52 1.86 0.04 0.00 0.02 0.00 0.00 61.00 63.43 3i6e s PRO 354 Cb -0.16 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.47 3i6e s PRO 354 CO 0.19 -1.36 0.44 -0.25 -0.33 0.00 0.00 177.00 175.69 3i6e n ASP 355 N -1.80 0.88 -3.66 2.53 8.00 -1.26 -4.94 116.55 116.30 3i6e n ASP 355 Ca 0.14 -0.94 -0.30 0.00 0.71 0.00 0.00 54.79 54.40 3i6e n ASP 355 Cb 0.49 0.37 0.25 0.00 -0.02 0.00 0.00 41.12 42.21 3i6e n ASP 355 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i6e s GLY 356 N -0.68 1.64 0.44 0.44 0.00 -1.26 -4.49 107.32 103.41 3i6e s GLY 356 Ca 0.03 -1.14 -0.24 0.00 0.00 0.00 0.00 44.72 43.37 3i6e s GLY 356 CO 0.08 -0.21 1.17 2.56 0.00 0.00 0.00 173.10 176.70 3i6e s PRO 357 N -5.61 3.83 4.44 2.90 0.04 -1.26 -3.27 135.00 136.07 3i6e s PRO 357 Ca 0.73 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.58 3i6e s PRO 357 Cb -0.06 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3i6e s PRO 357 CO 0.55 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.50 3i6e n GLY 358 N 0.50 1.34 0.27 0.56 0.00 0.73 -2.80 105.19 105.79 3i6e n GLY 358 Ca 0.06 -0.64 0.18 0.00 0.00 0.00 0.00 46.02 45.63 3i6e n GLY 358 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6e h LEU 359 N 0.00 0.00 0.00 0.99 3.38 -1.87 -2.04 115.31 115.77 3i6e h LEU 359 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i6e h LEU 359 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i6e h LEU 359 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3i6e n GLY 360 N -0.38 0.56 3.45 0.83 0.00 -1.12 -4.82 105.19 103.71 3i6e n GLY 360 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3i6e n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e s ALA 361 N -2.00 -1.68 0.13 4.61 0.00 -1.26 -4.88 121.76 116.68 3i6e s ALA 361 Ca 0.00 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.70 3i6e s ALA 361 Cb 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3i6e s ALA 361 CO 0.00 -0.74 -0.06 1.03 0.00 0.00 0.00 175.76 175.99 3i6e s ARG 362 N -3.53 2.26 0.37 0.00 0.52 -1.26 -5.00 118.95 112.31 3i6e s ARG 362 Ca 0.03 -1.04 -0.24 0.00 -0.52 0.00 0.00 55.73 53.95 3i6e s ARG 362 Cb -0.01 -2.34 -0.10 0.00 0.52 0.00 0.00 34.95 33.02 3i6e s ARG 362 CO -0.11 0.49 0.99 0.00 0.02 0.00 0.00 175.30 176.69 3i6e s ALA 363 N -1.41 3.13 -0.53 2.13 0.00 -1.26 -0.52 121.76 123.30 3i6e s ALA 363 Ca 0.24 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.55 3i6e s ALA 363 Cb -0.10 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.85 3i6e s ALA 363 CO 0.16 0.02 0.80 0.34 0.00 0.00 0.00 175.76 177.08 3i6e s ASP 364 N -1.70 6.29 0.38 0.00 2.15 0.64 -4.71 116.67 119.73 3i6e s ASP 364 Ca 0.55 -0.58 0.19 0.00 0.43 0.00 0.00 52.55 53.14 3i6e s ASP 364 Cb -0.18 -2.37 1.15 0.00 -0.30 0.00 0.00 42.92 41.22 3i6e s ASP 364 CO 0.23 -1.08 1.70 -0.65 -0.17 0.00 0.00 175.17 175.21 3i6e h PRO 365 N 9.17 0.31 -0.37 4.34 0.11 -1.94 0.12 132.00 143.74 3i6e h PRO 365 Ca -0.27 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 3i6e h PRO 365 Cb 1.08 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3i6e h PRO 365 CO 1.03 0.21 -0.16 0.93 -0.21 0.00 0.00 178.00 179.80 3i6e h GLU 366 N 0.32 0.77 -0.45 1.05 5.08 -1.97 -2.48 114.58 116.90 3i6e h GLU 366 Ca 0.70 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.61 3i6e h GLU 366 Cb 1.78 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 3i6e h GLU 366 CO -0.44 0.94 -0.19 0.87 -1.00 0.00 0.00 179.01 179.20 3i6e h LYS 367 N 0.56 0.88 -0.85 2.33 1.57 -1.17 -1.21 116.57 118.69 3i6e h LYS 367 Ca 0.09 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3i6e h LYS 367 Cb 0.70 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3i6e h LYS 367 CO 0.05 1.00 0.48 -0.07 -0.57 0.00 0.00 179.45 180.34 3i6e h LEU 368 N 0.77 1.05 -0.46 2.94 3.38 -1.15 -1.29 115.31 120.55 3i6e h LEU 368 Ca 0.11 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3i6e h LEU 368 Cb 0.73 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3i6e h LEU 368 CO 0.06 0.83 -0.37 -0.08 0.09 0.00 0.00 178.44 178.97 3i6e h GLU 369 N 1.18 0.88 -0.35 1.13 4.57 -1.24 -2.54 114.58 118.21 3i6e h GLU 369 Ca 0.30 -0.45 -0.07 0.00 -1.18 0.00 0.00 59.36 57.96 3i6e h GLU 369 Cb 0.01 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3i6e h GLU 369 CO -0.05 1.10 -0.06 1.25 -1.18 0.00 0.00 179.01 180.06 3i6e h HIS 370 N 0.72 0.74 -0.08 0.92 2.76 -0.80 -3.24 115.15 116.18 3i6e h HIS 370 Ca 0.06 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 3i6e h HIS 370 Cb 0.95 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.72 3i6e h HIS 370 CO 0.06 0.81 0.00 0.66 -1.30 0.00 0.00 177.93 178.16 3i6e n TYR 371 N -4.43 0.09 -2.46 5.26 4.01 -0.53 -4.94 117.16 114.17 3i6e n TYR 371 Ca -0.02 -0.05 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 3i6e n TYR 371 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 3i6e n TYR 371 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i6e s ALA 372 N -1.91 3.40 -0.85 -0.72 0.00 -0.96 -1.29 121.76 119.44 3i6e s ALA 372 Ca 0.35 0.87 0.16 0.00 0.00 0.00 0.00 51.96 53.34 3i6e s ALA 372 Cb 0.20 -3.37 -0.15 0.00 0.00 0.00 0.00 23.12 19.80 3i6e s ALA 372 CO 0.31 -0.26 0.70 1.33 0.00 0.00 0.00 175.76 177.84 3i6e n VAL 373 N 2.27 0.00 -3.63 0.00 0.24 0.14 -4.92 118.33 112.42 3i6e n VAL 373 Ca 0.03 -0.15 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 3i6e n VAL 373 Cb 0.45 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 3i6e n VAL 373 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i6e s ARG 374 N -2.44 0.55 0.00 7.34 3.52 -1.16 -5.00 118.95 121.77 3i6e s ARG 374 Ca 0.07 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.23 3i6e s ARG 374 Cb 0.12 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 3i6e s ARG 374 CO 0.63 -0.08 0.00 2.89 -0.81 0.00 0.00 175.30 177.92