#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 -7.18 3.23 4.39 -1.96 -0.52 114.58 112.53 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 0.14 0.00 -0.10 0.00 0.00 28.75 28.79 3i6e h GLU 7 CO 0.00 0.00 0.39 1.14 -1.16 0.00 0.00 179.01 179.38 3i6e s GLN 8 N -3.23 2.38 0.30 2.33 -2.07 -1.26 -4.66 119.66 113.45 3i6e s GLN 8 Ca 0.06 1.63 -0.02 0.00 -1.82 0.00 0.00 55.36 55.20 3i6e s GLN 8 Cb 0.09 -1.88 -0.04 0.00 -1.09 0.00 0.00 33.01 30.09 3i6e s GLN 8 CO 0.70 -1.63 0.53 0.15 -1.32 0.00 0.00 175.29 173.72 3i6e s LYS 9 N -3.96 3.56 -0.19 9.60 1.02 -1.26 -1.59 119.74 126.92 3i6e s LYS 9 Ca 0.72 -0.16 -0.23 0.00 0.02 0.00 0.00 55.97 56.31 3i6e s LYS 9 Cb -0.26 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 3i6e s LYS 9 CO 0.44 0.21 0.73 0.42 -0.92 0.00 0.00 175.35 176.23 3i6e s ILE 10 N -2.15 4.95 -1.03 2.17 1.01 -0.43 -0.81 121.20 124.90 3i6e s ILE 10 Ca 0.42 1.42 0.14 0.00 0.00 0.00 0.00 60.65 62.62 3i6e s ILE 10 Cb -0.10 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 3i6e s ILE 10 CO 0.32 0.06 0.71 2.30 0.00 0.00 0.00 174.94 178.33 3i6e n ILE 11 N 4.73 0.00 -3.59 2.92 -5.35 0.73 -0.69 119.36 118.11 3i6e n ILE 11 Ca 0.02 -0.27 -0.16 0.00 -0.27 0.00 0.00 62.75 62.06 3i6e n ILE 11 Cb 0.49 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.42 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 -2.01 -1.51 -0.11 -1.28 0.00 -1.16 -4.93 121.76 110.75 3i6e s ALA 12 Ca 0.09 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 3i6e s ALA 12 Cb 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.17 3i6e s ALA 12 CO 0.46 -0.34 -0.06 1.41 0.00 0.00 0.00 175.76 177.23 3i6e s MET 13 N -1.07 1.38 -0.03 0.00 1.75 -1.26 -2.30 119.30 117.78 3i6e s MET 13 Ca -0.10 -0.24 0.05 0.00 -1.25 0.00 0.00 55.69 54.15 3i6e s MET 13 Cb -0.02 -1.56 -0.02 0.00 2.84 0.00 0.00 34.83 36.07 3i6e s MET 13 CO 0.08 -0.29 -0.18 -0.51 -0.65 0.00 0.00 175.02 173.46 3i6e s ASP 14 N 1.74 3.73 0.02 1.11 1.01 -0.32 -4.98 116.67 118.98 3i6e s ASP 14 Ca 0.04 -0.30 0.04 0.00 0.71 0.00 0.00 52.55 53.05 3i6e s ASP 14 Cb -0.13 -0.68 -0.02 0.00 1.01 0.00 0.00 42.92 43.11 3i6e s ASP 14 CO -0.08 0.33 -0.13 -0.76 0.21 0.00 0.00 175.17 174.74 3i6e s LEU 15 N -0.78 2.11 -0.08 1.23 1.43 -1.26 -1.04 118.68 120.28 3i6e s LEU 15 Ca 0.11 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3i6e s LEU 15 Cb -0.10 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.54 3i6e s LEU 15 CO 0.01 0.08 -0.03 0.26 0.23 0.00 0.00 176.35 176.90 3i6e s TRP 16 N -0.61 0.92 -0.35 0.29 0.51 -0.19 -4.28 118.94 115.23 3i6e s TRP 16 Ca 0.03 -0.34 -0.17 0.00 -2.12 0.00 0.00 56.10 53.49 3i6e s TRP 16 Cb -0.06 -0.92 -0.01 0.00 -0.81 0.00 0.00 33.47 31.67 3i6e s TRP 16 CO 0.00 -0.37 0.48 -1.58 -0.51 0.00 0.00 176.95 174.97 3i6e s HIS 17 N 1.81 3.19 0.21 -1.98 5.65 0.41 -0.24 115.29 124.33 3i6e s HIS 17 Ca 0.04 0.14 0.07 0.00 0.25 0.00 0.00 55.06 55.55 3i6e s HIS 17 Cb -0.12 -2.87 -0.04 0.00 -1.18 0.00 0.00 32.58 28.37 3i6e s HIS 17 CO -0.06 -0.51 0.12 -0.51 -0.65 0.00 0.00 174.74 173.13 3i6e s LEU 18 N 2.31 3.67 -0.29 8.88 1.43 0.53 0.27 118.68 135.47 3i6e s LEU 18 Ca 0.17 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3i6e s LEU 18 Cb -0.16 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 43.91 3i6e s LEU 18 CO 0.13 0.03 0.07 0.00 0.23 0.00 0.00 176.35 176.81 3i6e s ALA 19 N -1.93 1.66 -0.22 4.21 0.00 -0.83 -2.39 121.76 122.26 3i6e s ALA 19 Ca 0.31 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 3i6e s ALA 19 Cb -0.09 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 3i6e s ALA 19 CO 0.23 -1.57 0.14 -0.51 0.00 0.00 0.00 175.76 174.05 3i6e s LEU 20 N 1.55 4.12 0.51 0.00 1.43 0.15 -4.86 118.68 121.58 3i6e s LEU 20 Ca 0.07 0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.10 3i6e s LEU 20 Cb -0.18 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 3i6e s LEU 20 CO -0.20 0.11 1.22 -2.84 0.23 0.00 0.00 176.35 174.87 3i6e s PRO 21 N 0.79 3.46 0.03 1.29 0.02 -1.26 -1.50 135.00 137.82 3i6e s PRO 21 Ca 0.07 1.90 -0.04 0.00 0.02 0.00 0.00 61.00 62.95 3i6e s PRO 21 Cb -0.13 -2.28 -0.01 0.00 0.02 0.00 0.00 34.50 32.10 3i6e s PRO 21 CO 0.02 -0.84 -0.08 1.33 -0.33 0.00 0.00 177.00 177.11 3i6e n VAL 22 N -0.83 1.18 0.00 3.83 0.24 -1.26 -0.95 118.33 120.53 3i6e n VAL 22 Ca 0.09 0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.71 3i6e n VAL 22 Cb 0.48 -1.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 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 -3.35 3.21 0.22 0.00 2.02 -1.26 0.32 118.70 119.86 3i6e s GLU 38 Ca 0.00 -0.41 -0.04 0.00 0.02 0.00 0.00 54.97 54.55 3i6e s GLU 38 Cb 0.00 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 3i6e s GLU 38 CO 0.00 0.59 0.23 0.96 0.02 0.00 0.00 175.26 177.06 3i6e s ILE 39 N -0.56 0.00 -0.11 -1.63 -4.36 -1.00 -4.47 121.20 109.06 3i6e s ILE 39 Ca 0.10 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 3i6e s ILE 39 Cb -0.12 -2.43 0.02 0.00 1.25 0.00 0.00 42.46 41.18 3i6e s ILE 39 CO 0.02 0.00 -0.10 -0.69 0.24 0.00 0.00 174.94 174.41 3i6e s VAL 40 N -4.06 1.15 -0.11 8.37 1.01 -0.02 -0.35 120.40 126.39 3i6e s VAL 40 Ca 0.35 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 3i6e s VAL 40 Cb 0.05 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3i6e s VAL 40 CO 0.12 0.38 0.07 -0.69 0.00 0.00 0.00 175.10 174.98 3i6e s VAL 41 N 1.46 4.89 -0.05 2.92 1.01 0.67 -0.62 120.40 130.69 3i6e s VAL 41 Ca 0.01 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3i6e s VAL 41 Cb -0.13 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3i6e s VAL 41 CO -0.06 0.60 -0.25 -0.22 0.00 0.00 0.00 175.10 175.17 3i6e s LEU 42 N -0.83 2.06 -0.05 3.92 2.96 0.68 -1.02 118.68 126.38 3i6e s LEU 42 Ca 0.13 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3i6e s LEU 42 Cb -0.12 -1.34 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 3i6e s LEU 42 CO 0.03 0.26 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.54 3i6e s ARG 43 N -0.28 1.96 -0.04 1.98 3.52 -0.21 -0.57 118.95 125.31 3i6e s ARG 43 Ca 0.00 -0.63 0.07 0.00 -0.13 0.00 0.00 55.73 55.04 3i6e s ARG 43 Cb -0.13 -1.65 -0.01 0.00 -1.56 0.00 0.00 34.95 31.60 3i6e s ARG 43 CO 0.02 0.22 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.98 3i6e s LEU 44 N 0.15 2.04 -0.06 -0.88 1.43 0.54 -1.17 118.68 120.73 3i6e s LEU 44 Ca -0.07 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 3i6e s LEU 44 Cb -0.13 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 3i6e s LEU 44 CO 0.03 0.26 -0.22 -0.69 0.23 0.00 0.00 176.35 175.96 3i6e s VAL 45 N -0.36 1.87 0.39 -1.59 1.01 -0.97 -0.71 120.40 120.03 3i6e s VAL 45 Ca 0.03 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3i6e s VAL 45 Cb -0.11 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.68 3i6e s VAL 45 CO 0.01 0.52 0.55 0.00 0.00 0.00 0.00 175.10 176.18 3i6e s ALA 46 N -0.01 4.24 0.17 5.51 0.00 -0.62 -0.20 121.76 130.85 3i6e s ALA 46 Ca -0.06 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.27 3i6e s ALA 46 Cb -0.14 -1.75 0.11 0.00 0.00 0.00 0.00 23.12 21.34 3i6e s ALA 46 CO 0.04 -0.20 1.67 0.93 0.00 0.00 0.00 175.76 178.20 3i6e h GLU 47 N 0.70 0.03 0.00 0.00 5.08 -1.31 -0.89 114.58 118.18 3i6e h GLU 47 Ca -0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3i6e h GLU 47 Cb 1.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3i6e h GLU 47 CO 0.51 0.02 0.00 0.78 -1.00 0.00 0.00 179.01 179.32 3i6e h GLY 48 N 0.03 0.00 0.00 -3.84 0.00 -1.95 -3.46 103.07 93.84 3i6e h GLY 48 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3i6e h GLY 48 CO -0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.74 3i6e n GLY 49 N -0.80 1.32 3.75 4.60 0.00 -0.34 -5.09 105.19 108.62 3i6e n GLY 49 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.12 2.50 0.01 4.61 0.00 -1.26 -4.72 121.76 120.77 3i6e s ALA 50 Ca 0.00 1.06 0.06 0.00 0.00 0.00 0.00 51.96 53.08 3i6e s ALA 50 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3i6e s ALA 50 CO 0.00 -1.27 -0.19 -1.21 0.00 0.00 0.00 175.76 173.09 3i6e s GLU 51 N -3.35 1.39 -0.03 0.00 2.02 -1.26 -1.59 118.70 115.89 3i6e s GLU 51 Ca 0.79 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 55.07 3i6e s GLU 51 Cb -0.32 -1.40 -0.01 0.00 0.10 0.00 0.00 34.13 32.50 3i6e s GLU 51 CO 0.35 0.37 -0.18 0.20 0.02 0.00 0.00 175.26 176.02 3i6e s GLY 52 N -0.74 0.92 0.10 -1.39 0.00 0.11 -4.40 107.32 101.91 3i6e s GLY 52 Ca 0.07 -0.76 0.09 0.00 0.00 0.00 0.00 44.72 44.12 3i6e s GLY 52 CO 0.00 -0.54 -0.19 -1.36 0.00 0.00 0.00 173.10 171.01 3i6e s PHE 53 N -0.25 2.51 -0.02 1.90 0.08 -1.26 -0.34 117.98 120.60 3i6e s PHE 53 Ca 0.03 -0.28 -0.09 0.00 0.12 0.00 0.00 56.93 56.71 3i6e s PHE 53 Cb -0.09 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 41.01 3i6e s PHE 53 CO 0.00 0.34 0.19 0.20 -0.10 0.00 0.00 175.22 175.86 3i6e s GLY 54 N -1.96 -0.04 -0.06 4.36 0.00 0.26 -3.05 107.32 106.84 3i6e s GLY 54 Ca 0.17 0.12 0.06 0.00 0.00 0.00 0.00 44.72 45.06 3i6e s GLY 54 CO 0.08 -0.03 -0.25 1.85 0.00 0.00 0.00 173.10 174.76 3i6e s GLU 55 N -1.07 2.50 -0.17 2.90 2.12 -1.26 -0.23 118.70 123.48 3i6e s GLU 55 Ca -0.12 -0.89 -0.02 0.00 0.36 0.00 0.00 54.97 54.30 3i6e s GLU 55 Cb -0.06 -2.13 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 3i6e s GLU 55 CO 0.02 0.38 -0.08 0.00 -0.54 0.00 0.00 175.26 175.04 3i6e s ALA 56 N -0.17 2.74 -0.66 6.30 0.00 0.21 -3.87 121.76 126.30 3i6e s ALA 56 Ca -0.03 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 50.96 3i6e s ALA 56 Cb -0.14 -1.47 0.20 0.00 0.00 0.00 0.00 23.12 21.71 3i6e s ALA 56 CO 0.03 -0.08 0.56 0.43 0.00 0.00 0.00 175.76 176.71 3i6e n SER 57 N 4.13 2.97 -4.76 0.00 7.64 -1.26 -0.84 113.62 121.50 3i6e n SER 57 Ca -0.18 -3.22 -0.39 0.00 1.01 0.00 0.00 58.87 56.08 3i6e n SER 57 Cb 0.52 -0.72 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 3i6e n SER 57 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3i6e s PRO 58 N -1.68 4.48 -0.41 1.43 0.04 -1.26 -4.60 135.00 133.01 3i6e s PRO 58 Ca 0.30 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 3i6e s PRO 58 Cb 0.03 -3.01 0.11 0.00 0.04 0.00 0.00 34.50 31.66 3i6e s PRO 58 CO -0.12 0.08 0.18 -0.46 0.04 0.00 0.00 177.00 176.71 3i6e s TRP 59 N -1.28 3.61 0.09 0.56 -0.11 -1.13 -4.75 118.94 115.94 3i6e s TRP 59 Ca 0.48 -2.64 -0.10 0.00 1.22 0.00 0.00 56.10 55.07 3i6e s TRP 59 Cb -0.30 -3.13 0.05 0.00 -1.50 0.00 0.00 33.47 28.59 3i6e s TRP 59 CO 0.39 -0.95 0.68 0.00 -4.62 0.00 0.00 176.95 172.45 3i6e n ALA 60 N 4.37 -0.14 0.46 5.86 0.00 -0.90 -0.19 120.51 129.97 3i6e n ALA 60 Ca 0.01 0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.98 3i6e n ALA 60 Cb 0.41 -0.14 0.47 0.00 0.00 0.00 0.00 19.45 20.18 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 -4.61 0.75 0.00 0.00 0.24 -1.26 -3.77 118.33 109.69 3i6e n VAL 61 Ca 0.03 0.06 -0.00 0.00 -2.04 0.00 0.00 64.34 62.39 3i6e n VAL 61 Cb 0.15 -0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 31.54 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 -2.29 0.00 0.08 6.34 3.72 0.74 -4.89 117.46 121.16 3i6e n PHE 62 Ca 0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.29 3i6e n PHE 62 Cb 0.30 -0.02 -0.14 0.00 -0.94 0.00 0.00 39.48 38.68 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 -0.04 1.43 0.00 4.37 1.35 -1.59 -3.49 112.91 114.93 3i6e h THR 63 Ca 0.00 -3.05 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 3i6e h THR 63 Cb 0.04 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 3i6e h THR 63 CO 0.00 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 3i6e n GLY 64 N 1.54 1.70 3.91 5.82 0.00 -1.09 -4.58 105.19 112.48 3i6e n GLY 64 Ca -0.09 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.45 4.95 0.38 2.61 -4.23 -1.26 -2.12 115.64 114.50 3i6e s THR 65 Ca 0.00 0.12 0.10 0.00 -1.18 0.00 0.00 61.69 60.73 3i6e s THR 65 Cb 0.00 -3.82 0.13 0.00 1.34 0.00 0.00 72.50 70.16 3i6e s THR 65 CO 0.00 -0.64 1.88 1.55 -0.54 0.00 0.00 174.62 176.87 3i6e h PRO 66 N 0.78 0.18 -0.66 3.99 0.13 -1.93 -2.29 132.00 132.20 3i6e h PRO 66 Ca -0.48 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 3i6e h PRO 66 Cb 1.20 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 3i6e h PRO 66 CO 0.63 0.39 0.20 0.93 -0.23 0.00 0.00 178.00 179.92 3i6e h GLU 67 N 0.17 1.01 -0.20 0.86 3.07 -1.99 0.64 114.58 118.15 3i6e h GLU 67 Ca 0.03 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.36 58.65 3i6e h GLU 67 Cb 0.48 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3i6e h GLU 67 CO 0.03 0.87 -0.01 0.00 -1.40 0.00 0.00 179.01 178.50 3i6e h ALA 68 N 1.24 0.27 -0.52 3.43 0.00 -1.82 -1.89 119.26 119.97 3i6e h ALA 68 Ca 0.22 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3i6e h ALA 68 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3i6e h ALA 68 CO -0.01 -0.00 -0.01 0.77 0.00 0.00 0.00 179.25 180.00 3i6e h SER 69 N 0.10 0.86 0.22 0.00 0.02 -1.28 0.02 113.55 113.50 3i6e h SER 69 Ca 0.05 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3i6e h SER 69 Cb 0.42 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 3i6e h SER 69 CO 0.01 0.92 -0.14 0.22 -1.14 0.00 0.00 176.83 176.71 3i6e h TYR 70 N 0.81 -0.36 -0.87 3.45 3.20 -0.78 -1.98 116.97 120.44 3i6e h TYR 70 Ca 0.15 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3i6e h TYR 70 Cb 0.50 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 3i6e h TYR 70 CO 0.03 -0.22 0.51 0.00 -1.64 0.00 0.00 178.16 176.84 3i6e h ALA 71 N 0.41 1.27 -0.24 1.82 0.00 -1.20 0.06 119.26 121.39 3i6e h ALA 71 Ca -0.02 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3i6e h ALA 71 Cb 0.30 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3i6e h ALA 71 CO 0.02 0.62 -0.18 0.00 0.00 0.00 0.00 179.25 179.71 3i6e h ALA 72 N 1.36 -0.02 0.01 0.00 0.00 -0.54 -0.02 119.26 120.05 3i6e h ALA 72 Ca 0.31 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3i6e h ALA 72 Cb -0.03 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i6e h ALA 72 CO -0.06 -0.59 -0.00 -0.07 0.00 0.00 0.00 179.25 178.53 3i6e h LEU 73 N -0.17 -0.01 -0.67 0.00 3.38 -1.08 0.20 115.31 116.96 3i6e h LEU 73 Ca 0.13 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.53 3i6e h LEU 73 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3i6e h LEU 73 CO -0.34 0.58 0.44 -0.78 0.09 0.00 0.00 178.44 178.43 3i6e h ASP 74 N -0.60 0.78 0.00 -0.43 3.58 -0.87 -0.43 116.42 118.45 3i6e h ASP 74 Ca -0.00 -0.03 -0.30 0.00 0.42 0.00 0.00 57.03 57.12 3i6e h ASP 74 Cb 0.59 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.39 3i6e h ASP 74 CO 0.00 0.57 -2.08 -1.14 -2.88 0.00 0.00 179.24 173.71 3i6e n ARG 75 N -4.61 0.45 0.02 0.28 0.63 -0.03 -4.47 116.66 108.92 3i6e n ARG 75 Ca 0.06 0.14 -0.13 0.00 -0.92 0.00 0.00 57.85 57.00 3i6e n ARG 75 Cb 0.02 -1.30 -0.14 0.00 0.45 0.00 0.00 32.46 31.49 3i6e n ARG 75 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3i6e h TYR 76 N -0.31 0.22 0.01 -0.14 0.05 -1.41 -3.40 116.97 111.99 3i6e h TYR 76 Ca -0.46 -0.16 -0.33 0.00 0.05 0.00 0.00 58.73 57.83 3i6e h TYR 76 Cb 1.56 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 39.23 3i6e h TYR 76 CO -0.02 1.25 -2.05 1.28 -1.05 0.00 0.00 178.16 177.57 3i6e n LEU 77 N -3.28 0.63 -0.16 3.88 4.77 0.67 -4.48 117.00 119.03 3i6e n LEU 77 Ca -0.17 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 3i6e n LEU 77 Cb 1.03 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 42.30 3i6e n LEU 77 CO 0.47 0.48 0.57 -0.09 -1.33 0.00 0.00 177.39 177.48 3i6e h ARG 78 N 0.00 -0.29 0.00 3.23 2.43 -1.28 0.13 114.38 118.60 3i6e h ARG 78 Ca -0.42 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3i6e h ARG 78 Cb 2.12 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.73 3i6e h ARG 78 CO 0.05 -0.19 0.02 -1.00 -1.51 0.00 0.00 179.97 177.34 3i6e h PRO 79 N -0.30 0.00 0.00 0.20 0.13 -1.79 0.10 132.00 130.34 3i6e h PRO 79 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3i6e h PRO 79 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 3i6e h PRO 79 CO -0.62 0.00 -0.71 -0.11 -0.23 0.00 0.00 178.00 176.33 3i6e n LEU 80 N -2.89 0.68 -0.09 1.56 7.94 0.37 -4.42 117.00 120.15 3i6e n LEU 80 Ca -0.03 0.18 -0.16 0.00 -1.11 0.00 0.00 56.01 54.90 3i6e n LEU 80 Cb 0.08 -0.16 -0.07 0.00 0.53 0.00 0.00 43.42 43.79 3i6e n LEU 80 CO 0.17 -0.04 -1.11 0.52 -1.11 0.00 0.00 177.39 175.83 3i6e n VAL 81 N -2.10 1.02 -1.68 1.96 0.31 -0.15 -4.83 118.33 112.87 3i6e n VAL 81 Ca 0.03 -0.32 -0.44 0.00 -0.01 0.00 0.00 64.34 63.59 3i6e n VAL 81 Cb 0.44 -1.44 -0.04 0.00 -0.91 0.00 0.00 33.84 31.89 3i6e n VAL 81 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i6e n ILE 82 N -3.43 0.38 -0.23 2.52 2.08 -0.24 -1.71 119.36 118.73 3i6e n ILE 82 Ca -0.34 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 62.90 3i6e n ILE 82 Cb 0.80 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 3i6e n ILE 82 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i6e n GLY 83 N 4.16 1.00 3.89 7.39 0.00 0.13 -4.94 105.19 116.82 3i6e n GLY 83 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.56 3.54 0.10 1.61 1.81 -0.70 -4.73 118.95 120.03 3i6e s ARG 84 Ca 0.00 0.42 -0.28 0.00 -1.72 0.00 0.00 55.73 54.15 3i6e s ARG 84 Cb 0.00 -2.25 -0.06 0.00 -0.45 0.00 0.00 34.95 32.19 3i6e s ARG 84 CO 0.00 -0.38 0.87 1.03 -0.68 0.00 0.00 175.30 176.14 3i6e s ARG 85 N -4.93 4.62 0.45 3.54 0.52 -1.26 -1.31 118.95 120.58 3i6e s ARG 85 Ca 0.51 1.29 0.20 0.00 -0.52 0.00 0.00 55.73 57.21 3i6e s ARG 85 Cb -0.11 -3.35 1.18 0.00 0.52 0.00 0.00 34.95 33.19 3i6e s ARG 85 CO 0.49 0.29 1.90 0.28 0.02 0.00 0.00 175.30 178.28 3i6e h VAL 86 N 3.94 0.70 0.00 3.52 2.07 -1.24 -0.32 116.25 124.93 3i6e h VAL 86 Ca -0.44 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3i6e h VAL 86 Cb 1.21 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3i6e h VAL 86 CO 0.71 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.96 3i6e n GLY 87 N -1.57 -1.04 1.85 2.17 0.00 -0.21 -3.45 105.19 102.94 3i6e n GLY 87 Ca 0.16 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.26 3.79 -0.21 1.61 8.00 -0.13 -4.65 116.55 123.71 3i6e n ASP 88 Ca 0.12 -3.10 0.02 0.00 0.71 0.00 0.00 54.79 52.53 3i6e n ASP 88 Cb 0.18 -0.73 0.11 0.00 -0.02 0.00 0.00 41.12 40.66 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 1.25 0.12 -0.58 -1.24 2.43 -1.75 -0.15 114.38 114.46 3i6e h ARG 89 Ca 0.38 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 3i6e h ARG 89 Cb 2.25 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 31.72 3i6e h ARG 89 CO 0.74 0.08 0.32 0.28 -1.51 0.00 0.00 179.97 179.87 3i6e h VAL 90 N 0.12 0.98 -0.39 0.20 2.07 -1.93 0.13 116.25 117.43 3i6e h VAL 90 Ca 0.34 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 3i6e h VAL 90 Cb 0.55 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3i6e h VAL 90 CO -0.54 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.14 3i6e h ALA 91 N 1.30 0.53 -0.38 1.67 0.00 -1.70 -1.45 119.26 119.23 3i6e h ALA 91 Ca 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i6e h ALA 91 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3i6e h ALA 91 CO -0.16 0.33 0.25 0.82 0.00 0.00 0.00 179.25 180.49 3i6e h ILE 92 N 0.53 1.10 -0.03 0.00 2.04 -0.49 -0.95 117.51 119.71 3i6e h ILE 92 Ca 0.11 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 3i6e h ILE 92 Cb 0.50 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3i6e h ILE 92 CO 0.02 0.10 -0.54 0.24 0.00 0.00 0.00 178.15 177.98 3i6e h MET 93 N 0.52 0.09 -0.60 2.37 2.86 -0.71 0.23 114.93 119.68 3i6e h MET 93 Ca 0.14 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3i6e h MET 93 Cb -0.05 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3i6e h MET 93 CO -0.03 0.60 0.04 0.22 1.06 0.00 0.00 176.91 178.80 3i6e h ASP 94 N 0.07 1.01 -0.08 1.22 3.58 -0.92 -2.25 116.42 119.04 3i6e h ASP 94 Ca -0.00 -0.29 -0.21 0.00 0.42 0.00 0.00 57.03 56.95 3i6e h ASP 94 Cb 0.97 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.76 3i6e h ASP 94 CO 0.07 1.05 -0.77 -0.33 -2.88 0.00 0.00 179.24 176.38 3i6e h GLU 95 N 0.93 0.67 -0.96 0.28 5.08 -0.89 -3.26 114.58 116.43 3i6e h GLU 95 Ca 0.17 -0.61 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 3i6e h GLU 95 Cb 0.51 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 3i6e h GLU 95 CO 0.02 1.22 0.63 0.00 -1.00 0.00 0.00 179.01 179.88 3i6e h ALA 96 N 0.46 1.39 -0.63 3.43 0.00 -0.48 0.13 119.26 123.56 3i6e h ALA 96 Ca -0.07 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3i6e h ALA 96 Cb 1.42 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3i6e h ALA 96 CO 0.16 0.52 0.41 0.00 0.00 0.00 0.00 179.25 180.34 3i6e h ALA 97 N 1.44 1.79 0.00 0.00 0.00 -1.45 -2.38 119.26 118.67 3i6e h ALA 97 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3i6e h ALA 97 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i6e h ALA 97 CO -0.12 0.11 -1.18 0.54 0.00 0.00 0.00 179.25 178.60 3i6e n ARG 98 N -4.48 0.44 0.26 0.00 1.74 -0.52 -4.27 116.66 109.83 3i6e n ARG 98 Ca 0.09 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.31 3i6e n ARG 98 Cb 0.23 -1.65 0.61 0.00 -1.02 0.00 0.00 32.46 30.63 3i6e n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i6e h ALA 99 N 2.29 1.04 -2.13 7.54 0.00 -0.24 -3.44 119.26 124.32 3i6e h ALA 99 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3i6e h ALA 99 Cb 0.86 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.41 3i6e h ALA 99 CO 0.00 0.13 0.06 0.54 0.00 0.00 0.00 179.25 179.98 3i6e s VAL 100 N -3.73 -0.00 0.38 0.00 0.11 -1.22 -4.94 120.40 111.00 3i6e s VAL 100 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.81 3i6e s VAL 100 Cb 0.10 -0.93 -0.09 0.00 -1.53 0.00 0.00 36.38 33.93 3i6e s VAL 100 CO 0.58 0.00 1.08 0.00 -3.33 0.00 0.00 175.10 173.43 3i6e s ALA 101 N 0.50 3.14 0.00 1.54 0.00 -1.26 -4.83 121.76 120.84 3i6e s ALA 101 Ca -0.01 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3i6e s ALA 101 Cb -0.05 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3i6e s ALA 101 CO -0.01 -0.27 0.00 0.72 0.00 0.00 0.00 175.76 176.20 3i6e n HIS 102 N 0.12 0.00 -3.93 0.00 8.25 -1.26 -4.88 115.22 113.51 3i6e n HIS 102 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 3i6e n HIS 102 Cb 0.48 0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.64 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 -1.88 0.05 -0.27 0.00 1.35 -1.87 -1.64 112.91 108.65 3i6e h THR 104 Ca -0.60 -0.31 -0.13 0.00 -0.55 0.00 0.00 66.41 64.82 3i6e h THR 104 Cb 1.37 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3i6e h THR 104 CO 0.66 0.01 -0.34 -0.33 -0.25 0.00 0.00 175.52 175.27 3i6e h GLU 105 N 0.00 0.70 -0.68 4.72 3.07 -1.85 -0.78 114.58 119.75 3i6e h GLU 105 Ca -0.00 -0.39 -0.08 0.00 -0.50 0.00 0.00 59.36 58.39 3i6e h GLU 105 Cb 0.29 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 3i6e h GLU 105 CO 0.00 1.01 0.12 0.00 -1.40 0.00 0.00 179.01 178.74 3i6e h ALA 106 N 0.68 0.91 -0.41 3.43 0.00 -1.64 -0.94 119.26 121.28 3i6e h ALA 106 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3i6e h ALA 106 Cb 0.92 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3i6e h ALA 106 CO 0.08 0.67 -0.14 0.87 0.00 0.00 0.00 179.25 180.74 3i6e h LYS 107 N 1.06 0.76 -0.25 0.00 1.57 -1.26 -1.33 116.57 117.12 3i6e h LYS 107 Ca 0.21 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 3i6e h LYS 107 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3i6e h LYS 107 CO 0.01 0.86 -0.32 0.00 -0.57 0.00 0.00 179.45 179.43 3i6e h ALA 108 N 1.16 0.98 -0.59 3.86 0.00 -0.81 -1.29 119.26 122.57 3i6e h ALA 108 Ca 0.11 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3i6e h ALA 108 Cb 0.62 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3i6e h ALA 108 CO 0.04 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.88 3i6e h ALA 109 N 1.21 0.86 -0.60 0.00 0.00 -0.80 -1.23 119.26 118.71 3i6e h ALA 109 Ca 0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3i6e h ALA 109 Cb 0.78 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3i6e h ALA 109 CO 0.06 0.66 -0.02 1.25 0.00 0.00 0.00 179.25 181.20 3i6e h LEU 110 N 0.95 1.05 -0.38 0.00 5.85 -0.91 -0.71 115.31 121.15 3i6e h LEU 110 Ca 0.17 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3i6e h LEU 110 Cb 0.56 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3i6e h LEU 110 CO 0.03 1.11 -0.07 -0.78 -0.34 0.00 0.00 178.44 178.39 3i6e h ASP 111 N 0.96 0.72 -0.35 1.25 3.58 -1.07 -0.75 116.42 120.76 3i6e h ASP 111 Ca 0.17 -0.35 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 3i6e h ASP 111 Cb 0.58 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 3i6e h ASP 111 CO 0.03 0.90 0.20 0.28 -2.88 0.00 0.00 179.24 177.78 3i6e h SER 112 N 0.52 0.43 -0.47 2.28 0.02 -1.07 -0.31 113.55 114.95 3i6e h SER 112 Ca 0.10 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3i6e h SER 112 Cb 0.58 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3i6e h SER 112 CO 0.03 0.37 0.11 0.00 -1.14 0.00 0.00 176.83 176.21 3i6e h ALA 113 N 1.07 1.20 -0.37 3.77 0.00 -1.02 0.14 119.26 124.05 3i6e h ALA 113 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3i6e h ALA 113 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i6e h ALA 113 CO -0.02 0.54 -0.35 -0.07 0.00 0.00 0.00 179.25 179.35 3i6e h LEU 114 N 0.78 0.91 -0.24 0.00 3.38 -0.73 -1.17 115.31 118.24 3i6e h LEU 114 Ca 0.17 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 3i6e h LEU 114 Cb 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i6e h LEU 114 CO 0.00 1.17 -0.48 -0.07 0.09 0.00 0.00 178.44 179.16 3i6e h LEU 115 N 0.72 0.84 -0.35 1.67 3.38 -0.75 -1.51 115.31 119.30 3i6e h LEU 115 Ca 0.07 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3i6e h LEU 115 Cb 0.92 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3i6e h LEU 115 CO 0.09 1.22 0.19 -0.78 0.09 0.00 0.00 178.44 179.25 3i6e h ASP 116 N 0.48 0.43 -0.42 -0.43 3.58 -0.70 0.42 116.42 119.79 3i6e h ASP 116 Ca 0.01 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 3i6e h ASP 116 Cb 1.08 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 3i6e h ASP 116 CO 0.11 0.39 0.25 0.25 -2.88 0.00 0.00 179.24 177.36 3i6e h LEU 117 N 0.44 0.50 -0.87 2.28 5.85 -1.18 -0.88 115.31 121.46 3i6e h LEU 117 Ca 0.12 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3i6e h LEU 117 Cb 0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3i6e h LEU 117 CO -0.02 0.41 0.01 0.00 -0.34 0.00 0.00 178.44 178.50 3i6e h ALA 118 N 1.11 1.06 -0.58 1.25 0.00 -1.05 -2.19 119.26 118.86 3i6e h ALA 118 Ca 0.15 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3i6e h ALA 118 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3i6e h ALA 118 CO -0.03 0.59 0.06 0.78 0.00 0.00 0.00 179.25 180.65 3i6e h GLY 119 N 0.98 1.07 1.01 0.00 0.00 -0.53 -1.59 103.07 104.01 3i6e h GLY 119 Ca 0.15 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3i6e h GLY 119 CO 0.02 0.69 0.23 3.21 0.00 0.00 0.00 176.54 180.68 3i6e h ARG 120 N 0.89 0.97 -0.41 4.80 2.47 -0.94 0.43 114.38 122.59 3i6e h ARG 120 Ca 0.17 -0.19 -0.09 0.00 -1.26 0.00 0.00 59.98 58.60 3i6e h ARG 120 Cb 0.47 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 3i6e h ARG 120 CO 0.02 0.84 -0.11 0.82 0.56 0.00 0.00 179.97 182.09 3i6e h ILE 121 N 0.91 1.28 -0.07 2.04 2.04 -1.25 -3.09 117.51 119.36 3i6e h ILE 121 Ca 0.21 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3i6e h ILE 121 Cb 0.25 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3i6e h ILE 121 CO -0.01 0.41 0.00 -1.54 0.00 0.00 0.00 178.15 177.01 3i6e n SER 122 N -4.31 2.08 -3.47 1.72 3.41 -0.61 -4.97 113.62 107.48 3i6e n SER 122 Ca -0.01 -1.71 -0.18 0.00 -0.26 0.00 0.00 58.87 56.71 3i6e n SER 122 Cb 0.38 -0.04 0.07 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.62 -3.05 -4.02 4.04 5.15 0.12 -5.03 115.26 113.08 3i6e n ASN 123 Ca 0.17 -0.71 -0.12 0.00 -0.60 0.00 0.00 54.58 53.32 3i6e n ASN 123 Cb 0.44 -4.80 -0.12 0.00 -0.53 0.00 0.00 39.78 34.77 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 -6.22 2.21 0.64 1.20 1.43 0.63 -4.83 118.68 113.75 3i6e s LEU 124 Ca 0.13 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 3i6e s LEU 124 Cb -0.02 -0.09 -0.01 0.00 0.03 0.00 0.00 46.19 46.09 3i6e s LEU 124 CO 0.76 -0.19 1.07 -2.16 0.23 0.00 0.00 176.35 176.05 3i6e s PRO 125 N -1.32 3.06 0.23 1.29 0.04 -1.21 -0.82 135.00 136.27 3i6e s PRO 125 Ca -0.10 1.15 -0.06 0.00 0.04 0.00 0.00 61.00 62.03 3i6e s PRO 125 Cb -0.09 -2.00 0.36 0.00 0.04 0.00 0.00 34.50 32.82 3i6e s PRO 125 CO -0.00 -1.01 1.77 0.28 0.04 0.00 0.00 177.00 178.08 3i6e h VAL 126 N -0.06 0.83 -0.15 -0.36 2.07 -1.52 -0.68 116.25 116.38 3i6e h VAL 126 Ca -0.46 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 66.90 3i6e h VAL 126 Cb 1.22 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3i6e h VAL 126 CO 0.56 0.11 0.23 4.11 0.02 0.00 0.00 177.57 182.60 3i6e h TRP 127 N 0.60 0.00 0.00 1.57 5.08 -1.87 0.37 115.95 121.70 3i6e h TRP 127 Ca 0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.34 3i6e h TRP 127 Cb 0.41 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.57 3i6e h TRP 127 CO -0.11 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.05 3i6e n ALA 128 N -2.21 1.92 0.89 0.11 0.00 -0.26 -1.45 120.51 119.50 3i6e n ALA 128 Ca 0.01 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.57 3i6e n ALA 128 Cb 0.33 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.44 3i6e n ALA 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i6e n LEU 129 N -2.10 2.52 -0.66 0.00 4.77 0.13 -4.26 117.00 117.40 3i6e n LEU 129 Ca 0.04 -0.93 0.09 0.00 -0.03 0.00 0.00 56.01 55.17 3i6e n LEU 129 Cb 0.30 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.61 3i6e n LEU 129 CO 0.23 0.44 0.67 0.18 -1.33 0.00 0.00 177.39 177.58 3i6e n LEU 130 N 0.84 3.46 0.00 2.23 4.77 -0.90 -4.95 117.00 122.45 3i6e n LEU 130 Ca 0.11 -3.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 3i6e n LEU 130 Cb 0.50 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3i6e n LEU 130 CO 0.17 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3i6e n GLY 131 N -0.78 2.55 0.00 -0.72 0.00 -1.21 -4.87 105.19 100.16 3i6e n GLY 131 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.62 0.24 3.57 -0.02 0.00 -0.53 -5.01 105.19 102.81 3i6e n GLY 132 Ca 0.00 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.50 2.24 0.00 1.61 -2.85 -1.26 -3.96 119.74 115.03 3i6e s LYS 133 Ca 0.00 -0.93 0.00 0.00 -1.00 0.00 0.00 55.97 54.04 3i6e s LYS 133 Cb 0.00 -2.35 0.00 0.00 -2.06 0.00 0.00 37.83 33.42 3i6e s LYS 133 CO 0.00 0.54 0.08 0.00 0.10 0.00 0.00 175.35 176.07 3i6e s ARG 135 N -0.71 0.82 -0.02 0.00 1.70 -1.24 -5.05 118.95 114.46 3i6e s ARG 135 Ca 0.00 -0.27 0.18 0.00 -0.47 0.00 0.00 55.73 55.17 3i6e s ARG 135 Cb 0.00 0.36 -0.25 0.00 -0.57 0.00 0.00 34.95 34.50 3i6e s ARG 135 CO 0.00 -0.26 0.52 -0.25 -1.08 0.00 0.00 175.30 174.23 3i6e n ASP 136 N 0.85 0.87 -3.97 -2.89 8.00 -1.26 -4.86 116.55 113.28 3i6e n ASP 136 Ca -0.20 -0.33 -0.08 0.00 0.71 0.00 0.00 54.79 54.89 3i6e n ASP 136 Cb 0.58 1.52 -0.09 0.00 -0.02 0.00 0.00 41.12 43.11 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 -3.03 0.17 -0.06 -3.53 -4.23 -1.26 -1.24 115.64 102.47 3i6e s THR 137 Ca -0.02 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3i6e s THR 137 Cb 0.12 -1.30 0.02 0.00 1.34 0.00 0.00 72.50 72.68 3i6e s THR 137 CO 0.73 -0.79 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.32 3i6e s ILE 138 N -3.56 0.81 0.24 2.99 1.01 -0.16 -4.92 121.20 117.61 3i6e s ILE 138 Ca 0.03 -0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.12 3i6e s ILE 138 Cb 0.05 -0.80 -0.12 0.00 0.01 0.00 0.00 42.46 41.59 3i6e s ILE 138 CO -0.09 0.30 1.63 -2.65 0.00 0.00 0.00 174.94 174.13 3i6e n PRO 139 N 4.19 2.64 -3.90 2.79 -0.02 -1.26 0.22 135.00 139.66 3i6e n PRO 139 Ca -0.21 0.95 -0.35 0.00 -2.02 0.00 0.00 63.50 61.87 3i6e n PRO 139 Cb 0.51 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.19 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 0.36 4.37 0.05 2.45 2.96 -0.26 -1.29 118.68 127.32 3i6e s LEU 140 Ca 0.70 0.40 0.09 0.00 -0.22 0.00 0.00 54.13 55.10 3i6e s LEU 140 Cb -0.53 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 3i6e s LEU 140 CO 0.41 0.33 -0.26 -0.55 -1.32 0.00 0.00 176.35 174.96 3i6e s SER 141 N -1.53 3.08 -0.04 3.68 0.15 0.23 -3.53 113.70 115.74 3i6e s SER 141 Ca 0.22 -0.59 0.06 0.00 0.70 0.00 0.00 55.95 56.34 3i6e s SER 141 Cb -0.12 -0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 63.90 3i6e s SER 141 CO 0.12 0.24 -0.23 0.00 1.20 0.00 0.00 173.24 174.57 3i6e s SER 143 N -0.30 7.26 -0.49 0.00 0.01 -1.26 -1.44 113.70 117.48 3i6e s SER 143 Ca 0.02 1.65 -0.02 0.00 1.31 0.00 0.00 55.95 58.91 3i6e s SER 143 Cb -0.11 -2.51 0.13 0.00 0.21 0.00 0.00 66.02 63.74 3i6e s SER 143 CO 0.01 0.04 0.28 -0.63 0.41 0.00 0.00 173.24 173.35 3i6e s ILE 144 N -1.47 3.32 -0.06 1.44 -1.09 0.05 -4.88 121.20 118.51 3i6e s ILE 144 Ca 0.44 -2.48 0.16 0.00 -2.23 0.00 0.00 60.65 56.54 3i6e s ILE 144 Cb -0.19 -3.24 0.30 0.00 -1.58 0.00 0.00 42.46 37.75 3i6e s ILE 144 CO 0.24 -0.76 1.13 0.00 -1.23 0.00 0.00 174.94 174.32 3i6e n ALA 145 N 4.08 2.52 -2.71 9.38 0.00 -1.26 -1.46 120.51 131.06 3i6e n ALA 145 Ca 0.02 -2.24 -0.40 0.00 0.00 0.00 0.00 53.44 50.83 3i6e n ALA 145 Cb 0.39 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.10 7.02 0.65 0.00 3.84 -1.26 -4.92 114.94 118.17 3i6e s ASN 146 Ca 0.26 1.22 0.43 0.00 0.21 0.00 0.00 52.86 54.98 3i6e s ASN 146 Cb 0.27 -2.42 2.28 0.00 -0.55 0.00 0.00 41.25 40.83 3i6e s ASN 146 CO -0.08 -0.12 2.32 1.55 -2.79 0.00 0.00 177.10 177.97 3i6e h PRO 147 N 6.75 0.00 -4.14 0.43 0.13 -2.00 -3.28 132.00 129.89 3i6e h PRO 147 Ca -0.41 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.98 3i6e h PRO 147 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 3i6e h PRO 147 CO 0.75 0.00 -0.29 0.34 -0.23 0.00 0.00 178.00 178.58 3i6e s ASP 148 N -5.24 5.93 0.36 1.44 2.15 -1.26 -4.95 116.67 115.09 3i6e s ASP 148 Ca -0.04 -2.04 0.03 0.00 0.43 0.00 0.00 52.55 50.93 3i6e s ASP 148 Cb 0.12 -2.08 0.67 0.00 -0.30 0.00 0.00 42.92 41.33 3i6e s ASP 148 CO 0.43 -0.70 2.01 0.15 -0.17 0.00 0.00 175.17 176.89 3i6e h PHE 149 N 8.39 0.77 -0.93 -5.34 3.57 -2.00 -2.20 116.94 119.20 3i6e h PHE 149 Ca -0.18 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.44 3i6e h PHE 149 Cb 1.07 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 3i6e h PHE 149 CO 0.71 0.48 0.60 -0.44 -2.23 0.00 0.00 178.31 177.43 3i6e h ASP 150 N 0.82 0.85 -0.35 0.41 3.32 -1.92 0.33 116.42 119.88 3i6e h ASP 150 Ca 0.24 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3i6e h ASP 150 Cb -0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3i6e h ASP 150 CO -0.06 0.49 0.14 0.00 -1.72 0.00 0.00 179.24 178.09 3i6e h ALA 151 N 1.54 1.48 0.07 3.45 0.00 -1.79 -2.18 119.26 121.82 3i6e h ALA 151 Ca 0.44 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 3i6e h ALA 151 Cb 0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i6e h ALA 151 CO -0.20 0.39 -1.08 -0.44 0.00 0.00 0.00 179.25 177.92 3i6e h ASP 152 N 0.58 0.37 -0.87 0.00 3.32 -0.63 -2.54 116.42 116.65 3i6e h ASP 152 Ca 0.14 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 56.87 3i6e h ASP 152 Cb 0.16 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3i6e h ASP 152 CO -0.01 1.22 0.57 0.40 -1.72 0.00 0.00 179.24 179.71 3i6e h ILE 153 N 0.10 1.15 -0.53 0.35 2.04 -0.07 0.73 117.51 121.29 3i6e h ILE 153 Ca -0.09 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.28 3i6e h ILE 153 Cb 1.78 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3i6e h ILE 153 CO 0.17 0.20 -0.13 0.00 0.00 0.00 0.00 178.15 178.39 3i6e h ALA 154 N 1.49 0.73 -0.44 1.87 0.00 -1.38 -1.37 119.26 120.16 3i6e h ALA 154 Ca 0.34 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3i6e h ALA 154 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i6e h ALA 154 CO -0.10 0.66 0.18 1.25 0.00 0.00 0.00 179.25 181.24 3i6e h LEU 155 N 0.89 0.60 -1.34 0.00 5.85 -0.50 -2.30 115.31 118.50 3i6e h LEU 155 Ca 0.13 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3i6e h LEU 155 Cb 0.70 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3i6e h LEU 155 CO 0.05 0.59 0.00 0.24 -0.34 0.00 0.00 178.44 178.99 3i6e h MET 156 N 0.56 0.44 -0.45 1.25 2.86 0.58 0.14 114.93 120.30 3i6e h MET 156 Ca 0.15 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3i6e h MET 156 Cb 0.18 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3i6e h MET 156 CO -0.01 0.47 0.26 0.93 1.06 0.00 0.00 176.91 179.61 3i6e h GLU 157 N 0.43 0.63 -0.36 1.72 4.39 -0.81 -0.20 114.58 120.38 3i6e h GLU 157 Ca 0.10 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 3i6e h GLU 157 Cb 0.28 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3i6e h GLU 157 CO 0.01 0.49 -0.14 -0.09 -1.16 0.00 0.00 179.01 178.12 3i6e h ARG 158 N 0.60 0.72 -0.15 2.33 2.43 -0.84 -2.30 114.38 117.17 3i6e h ARG 158 Ca 0.16 -0.30 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3i6e h ARG 158 Cb 0.04 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3i6e h ARG 158 CO -0.03 0.90 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.22 3i6e h LEU 159 N 0.51 -0.14 -1.16 3.80 3.38 -0.46 0.13 115.31 121.36 3i6e h LEU 159 Ca 0.08 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.18 3i6e h LEU 159 Cb 0.66 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 3i6e h LEU 159 CO 0.04 -0.05 0.59 -0.09 0.09 0.00 0.00 178.44 179.02 3i6e h ARG 160 N -0.00 0.93 -0.29 1.13 2.43 -0.99 -0.63 114.38 116.96 3i6e h ARG 160 Ca 0.07 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 3i6e h ARG 160 Cb 0.11 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3i6e h ARG 160 CO -0.15 0.62 -0.30 0.00 -1.51 0.00 0.00 179.97 178.62 3i6e h ALA 161 N 1.53 0.95 0.00 2.80 0.00 -0.68 -2.85 119.26 121.01 3i6e h ALA 161 Ca 0.41 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i6e h ALA 161 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i6e h ALA 161 CO -0.17 0.61 0.00 -0.25 0.00 0.00 0.00 179.25 179.44 3i6e n ASP 162 N -4.08 0.00 0.00 0.00 10.43 0.34 -4.91 116.55 118.33 3i6e n ASP 162 Ca -0.01 0.47 0.00 0.00 2.57 0.00 0.00 54.79 57.83 3i6e n ASP 162 Cb 0.45 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 42.92 3i6e n ASP 162 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i6e n GLY 163 N 1.25 0.77 3.69 0.44 0.00 -0.64 -3.34 105.19 107.37 3i6e n GLY 163 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.26 3.28 -1.90 1.61 1.01 -0.82 -3.77 120.40 117.55 3i6e s VAL 164 Ca 0.00 0.74 0.15 0.00 0.00 0.00 0.00 61.98 62.87 3i6e s VAL 164 Cb 0.00 -3.48 0.13 0.00 0.00 0.00 0.00 36.38 33.04 3i6e s VAL 164 CO 0.00 0.01 1.00 0.61 0.00 0.00 0.00 175.10 176.71 3i6e n GLY 165 N 3.82 0.19 3.09 4.51 0.00 -1.26 -4.48 105.19 111.06 3i6e n GLY 165 Ca 0.14 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.27 1.92 0.05 0.99 1.43 -1.23 -1.59 118.68 118.97 3i6e s LEU 166 Ca 0.18 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3i6e s LEU 166 Cb 0.13 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 3i6e s LEU 166 CO 0.19 0.14 -0.05 0.27 0.23 0.00 0.00 176.35 177.14 3i6e s ILE 167 N -0.05 0.33 -0.15 -0.59 -4.36 -0.95 -1.56 121.20 113.87 3i6e s ILE 167 Ca -0.00 -1.36 -0.01 0.00 -0.26 0.00 0.00 60.65 59.02 3i6e s ILE 167 Cb -0.09 -0.91 0.04 0.00 1.25 0.00 0.00 42.46 42.75 3i6e s ILE 167 CO 0.01 -0.67 -0.05 -0.75 0.24 0.00 0.00 174.94 173.72 3i6e s LYS 168 N -2.54 1.34 -0.21 0.37 2.20 -0.52 -0.91 119.74 119.47 3i6e s LYS 168 Ca -0.04 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 3i6e s LYS 168 Cb -0.03 -1.83 0.01 0.00 -1.51 0.00 0.00 37.83 34.47 3i6e s LYS 168 CO -0.04 -0.40 1.05 -1.17 -0.36 0.00 0.00 175.35 174.44 3i6e s LEU 169 N 1.69 4.12 -0.32 5.43 2.96 1.00 -0.77 118.68 132.79 3i6e s LEU 169 Ca 0.02 1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 55.06 3i6e s LEU 169 Cb -0.14 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.02 3i6e s LEU 169 CO -0.08 -0.65 1.06 -0.75 -1.32 0.00 0.00 176.35 174.61 3i6e s LYS 170 N 3.08 4.06 0.38 1.98 2.20 -0.54 -1.44 119.74 129.46 3i6e s LYS 170 Ca 0.45 1.05 0.08 0.00 -0.36 0.00 0.00 55.97 57.19 3i6e s LYS 170 Cb -0.16 -3.74 -0.06 0.00 -1.51 0.00 0.00 37.83 32.37 3i6e s LYS 170 CO 0.08 -0.89 0.09 0.95 -0.36 0.00 0.00 175.35 175.22 3i6e s THR 171 N 3.61 2.47 0.00 3.43 -4.23 -0.29 -4.76 115.64 115.88 3i6e s THR 171 Ca 0.45 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3i6e s THR 171 Cb -0.12 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.80 3i6e s THR 171 CO 0.15 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3i6e n GLY 172 N -1.08 2.16 0.02 3.99 0.00 -1.26 -4.20 105.19 104.82 3i6e n GLY 172 Ca -0.03 0.00 0.13 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 0.20 -3.65 1.61 1.16 -1.26 -4.79 117.46 108.73 3i6e n PHE 173 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 3i6e n PHE 173 Cb 0.00 -0.53 0.00 0.00 -1.61 0.00 0.00 39.48 37.34 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 -1.68 1.06 -1.13 3.97 1.74 -1.26 -5.14 116.66 114.23 3i6e n ARG 174 Ca 0.06 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.84 3i6e n ARG 174 Cb 0.36 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.95 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 -0.30 3.24 0.26 0.55 1.47 -1.26 -4.93 116.67 115.69 3i6e s ASP 175 Ca 0.00 1.52 -0.05 0.00 1.18 0.00 0.00 52.55 55.21 3i6e s ASP 175 Cb 0.00 -2.19 0.30 0.00 -0.34 0.00 0.00 42.92 40.68 3i6e s ASP 175 CO 0.00 -2.79 1.89 -0.74 0.68 0.00 0.00 175.17 174.21 3i6e h HIS 176 N -1.66 1.15 -0.81 2.11 -0.00 -2.01 -2.52 115.15 111.42 3i6e h HIS 176 Ca -0.50 -0.02 0.10 0.00 -0.00 0.00 0.00 60.37 59.95 3i6e h HIS 176 Cb 1.29 -0.37 -0.06 0.00 -0.00 0.00 0.00 27.41 28.27 3i6e h HIS 176 CO 0.41 0.78 0.53 0.00 -0.00 0.00 0.00 177.93 179.66 3i6e h ALA 177 N 1.35 1.75 -0.77 5.26 0.00 -1.99 -1.07 119.26 123.78 3i6e h ALA 177 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3i6e h ALA 177 Cb -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3i6e h ALA 177 CO -0.05 0.08 0.35 0.35 0.00 0.00 0.00 179.25 179.98 3i6e h PHE 178 N 0.75 1.14 -0.38 0.00 3.57 -1.81 0.16 116.94 120.36 3i6e h PHE 178 Ca 0.37 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 3i6e h PHE 178 Cb 0.45 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3i6e h PHE 178 CO -0.00 0.85 0.06 -0.44 -2.23 0.00 0.00 178.31 176.55 3i6e h ASP 179 N 1.10 0.61 -0.57 0.41 3.32 -1.23 -2.64 116.42 117.43 3i6e h ASP 179 Ca 0.26 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3i6e h ASP 179 Cb 0.16 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3i6e h ASP 179 CO -0.03 0.71 -0.04 0.40 -1.72 0.00 0.00 179.24 178.56 3i6e h ILE 180 N 0.48 1.27 0.09 0.35 1.08 -1.08 -2.07 117.51 117.63 3i6e h ILE 180 Ca 0.12 -1.19 0.02 0.00 -0.39 0.00 0.00 64.86 63.42 3i6e h ILE 180 Cb 0.36 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 3i6e h ILE 180 CO 0.01 0.43 -0.32 -0.03 -0.69 0.00 0.00 178.15 177.54 3i6e h MET 181 N 0.91 -0.51 -0.58 2.37 4.05 -0.58 -0.94 114.93 119.65 3i6e h MET 181 Ca 0.16 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 3i6e h MET 181 Cb 0.60 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.49 3i6e h MET 181 CO 0.04 -0.34 0.25 0.00 0.23 0.00 0.00 176.91 177.09 3i6e h ARG 182 N -0.53 0.83 -0.51 0.39 3.08 -1.43 -1.94 114.38 114.27 3i6e h ARG 182 Ca 0.04 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3i6e h ARG 182 Cb 0.57 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3i6e h ARG 182 CO -0.21 0.66 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.26 3i6e h LEU 183 N 0.82 0.85 -0.20 3.04 3.38 -0.92 -1.06 115.31 121.21 3i6e h LEU 183 Ca 0.20 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3i6e h LEU 183 Cb 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i6e h LEU 183 CO -0.02 0.92 -0.16 -0.33 0.09 0.00 0.00 178.44 178.94 3i6e h GLU 184 N 0.80 0.47 -0.71 1.13 5.08 -0.79 -2.41 114.58 118.15 3i6e h GLU 184 Ca 0.15 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3i6e h GLU 184 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3i6e h GLU 184 CO 0.03 0.79 0.18 1.25 -1.00 0.00 0.00 179.01 180.26 3i6e h LEU 185 N 0.15 1.06 -0.56 1.33 6.46 -1.26 -1.93 115.31 120.56 3i6e h LEU 185 Ca 0.04 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.55 3i6e h LEU 185 Cb 0.69 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 3i6e h LEU 185 CO 0.04 1.01 0.22 0.40 -0.62 0.00 0.00 178.44 179.49 3i6e h ILE 186 N 1.07 1.22 -0.22 4.05 2.04 -1.18 0.27 117.51 124.77 3i6e h ILE 186 Ca 0.22 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3i6e h ILE 186 Cb 0.35 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3i6e h ILE 186 CO -0.00 0.27 -0.06 0.00 0.00 0.00 0.00 178.15 178.36 3i6e h ALA 187 N 1.07 1.50 0.00 1.87 0.00 -1.20 0.22 119.26 122.72 3i6e h ALA 187 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i6e h ALA 187 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i6e h ALA 187 CO -0.01 0.36 -0.21 -0.09 0.00 0.00 0.00 179.25 179.29 3i6e h ARG 188 N 0.32 0.00 0.00 0.00 2.43 -0.73 -3.36 114.38 113.04 3i6e h ARG 188 Ca 0.07 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3i6e h ARG 188 Cb 0.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3i6e h ARG 188 CO 0.01 0.76 -1.55 -0.25 -1.51 0.00 0.00 179.97 177.43 3i6e n ASP 189 N -4.62 0.59 -2.83 -3.80 8.00 0.90 -4.57 116.55 110.22 3i6e n ASP 189 Ca -0.11 0.25 -0.22 0.00 0.71 0.00 0.00 54.79 55.42 3i6e n ASP 189 Cb 0.41 0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 42.17 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 -2.70 2.50 0.38 1.24 3.72 0.05 -4.89 117.46 117.76 3i6e n PHE 190 Ca -0.09 -3.52 0.06 0.00 -0.05 0.00 0.00 57.45 53.85 3i6e n PHE 190 Cb 0.76 -0.35 0.28 0.00 -0.94 0.00 0.00 39.48 39.24 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 -0.15 0.03 0.21 -1.08 -0.04 -1.15 -2.85 135.00 129.96 3i6e n PRO 191 Ca 0.28 0.34 0.06 0.00 -0.04 0.00 0.00 63.50 64.13 3i6e n PRO 191 Cb 0.60 -1.57 0.45 0.00 -0.04 0.00 0.00 33.50 32.94 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 -7.02 0.54 3.07 -1.90 -3.44 114.58 105.83 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 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3i6e h GLU 192 CO 0.00 0.30 0.35 -0.06 -1.40 0.00 0.00 179.01 178.20 3i6e s PHE 193 N -4.11 3.36 -0.14 4.33 0.08 -1.13 -4.94 117.98 115.42 3i6e s PHE 193 Ca -0.02 1.65 -0.14 0.00 0.12 0.00 0.00 56.93 58.54 3i6e s PHE 193 Cb 0.14 -2.90 -0.05 0.00 -0.57 0.00 0.00 43.02 39.64 3i6e s PHE 193 CO 0.68 -0.13 0.30 1.03 -0.10 0.00 0.00 175.22 177.00 3i6e s ARG 194 N -2.91 4.17 -0.12 0.44 0.52 -0.62 -4.99 118.95 115.43 3i6e s ARG 194 Ca 0.60 0.13 -0.03 0.00 -0.52 0.00 0.00 55.73 55.90 3i6e s ARG 194 Cb -0.12 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 3i6e s ARG 194 CO 0.17 0.32 0.00 0.08 0.02 0.00 0.00 175.30 175.89 3i6e s VAL 195 N 0.22 4.30 0.27 3.52 1.01 -1.26 -2.23 120.40 126.23 3i6e s VAL 195 Ca 0.18 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.04 3i6e s VAL 195 Cb -0.13 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 3i6e s VAL 195 CO 0.05 0.55 -0.15 -0.13 0.00 0.00 0.00 175.10 175.42 3i6e s ARG 196 N -0.29 1.84 -0.01 2.72 3.00 -0.09 -0.48 118.95 125.65 3i6e s ARG 196 Ca 0.06 -1.65 0.04 0.00 0.00 0.00 0.00 55.73 54.18 3i6e s ARG 196 Cb -0.12 -1.89 -0.01 0.00 0.00 0.00 0.00 34.95 32.93 3i6e s ARG 196 CO 0.02 0.34 -0.12 0.08 0.00 0.00 0.00 175.30 175.63 3i6e s VAL 197 N -2.41 0.93 -0.07 3.52 1.01 -0.39 -0.00 120.40 122.98 3i6e s VAL 197 Ca 0.30 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3i6e s VAL 197 Cb -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.58 3i6e s VAL 197 CO 0.16 0.24 0.08 -0.62 0.00 0.00 0.00 175.10 174.96 3i6e s ASP 198 N -0.34 1.33 0.02 3.32 -1.08 -0.52 0.07 116.67 119.47 3i6e s ASP 198 Ca 0.04 -0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.30 3i6e s ASP 198 Cb -0.05 -0.10 0.61 0.00 -1.46 0.00 0.00 42.92 41.93 3i6e s ASP 198 CO -0.00 -0.27 1.50 -1.22 0.52 0.00 0.00 175.17 175.69 3i6e n TYR 199 N 5.30 0.11 -4.05 -5.34 4.02 -0.79 -1.13 117.16 115.27 3i6e n TYR 199 Ca -0.04 0.03 -0.27 0.00 -0.01 0.00 0.00 57.90 57.61 3i6e n TYR 199 Cb 0.50 -0.37 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.61 0.03 -0.94 7.72 4.13 -1.21 0.16 115.26 123.53 3i6e n ASN 200 Ca 0.05 -1.08 -0.11 0.00 1.68 0.00 0.00 54.58 55.12 3i6e n ASN 200 Cb 0.35 -2.68 -0.05 0.00 -1.54 0.00 0.00 39.78 35.87 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 -4.45 -1.64 0.00 3.52 6.02 0.01 -4.87 117.38 115.98 3i6e n GLN 201 Ca -0.32 0.85 0.09 0.00 -0.01 0.00 0.00 57.00 57.61 3i6e n GLN 201 Cb 0.69 -5.18 0.43 0.00 1.02 0.00 0.00 30.24 27.20 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 0.13 -0.93 3.89 1.08 0.00 0.12 -3.94 105.19 105.54 3i6e n GLY 202 Ca -0.11 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.68 4.34 0.49 0.99 1.43 -0.57 -4.89 118.68 117.79 3i6e s LEU 203 Ca 0.15 0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 53.77 3i6e s LEU 203 Cb 0.12 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 3i6e s LEU 203 CO 0.28 0.18 0.75 -1.61 0.23 0.00 0.00 176.35 176.18 3i6e s GLU 204 N -2.12 3.10 0.18 1.70 0.41 -1.26 -4.45 118.70 116.26 3i6e s GLU 204 Ca 0.33 -0.25 -0.13 0.00 -0.41 0.00 0.00 54.97 54.50 3i6e s GLU 204 Cb -0.13 -2.46 0.17 0.00 -1.78 0.00 0.00 34.13 29.93 3i6e s GLU 204 CO 0.20 -0.37 1.72 0.82 -0.49 0.00 0.00 175.26 177.15 3i6e h ILE 205 N 0.23 0.76 0.00 -1.63 2.04 -1.98 -2.36 117.51 114.56 3i6e h ILE 205 Ca -0.46 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3i6e h ILE 205 Cb 1.25 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3i6e h ILE 205 CO 0.59 0.05 0.00 -0.90 0.00 0.00 0.00 178.15 177.89 3i6e n ASP 206 N -5.09 0.00 0.00 1.72 5.68 -1.26 -3.20 116.55 114.40 3i6e n ASP 206 Ca 0.05 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.58 3i6e n ASP 206 Cb 0.22 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.88 1.92 0.27 0.11 0.28 -0.95 -4.90 120.64 116.50 3i6e n GLU 207 Ca 0.11 -0.10 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 3i6e n GLU 207 Cb 0.05 -0.46 -0.08 0.00 1.43 0.00 0.00 31.44 32.38 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 -0.79 0.42 -1.84 0.00 -1.40 -2.79 119.26 112.86 3i6e h ALA 208 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i6e h ALA 208 Cb 0.10 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3i6e h ALA 208 CO 0.00 -0.96 -0.35 0.28 0.00 0.00 0.00 179.25 178.21 3i6e h VAL 209 N -0.78 0.28 -0.85 0.00 2.07 -1.90 -1.58 116.25 113.49 3i6e h VAL 209 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3i6e h VAL 209 Cb 0.65 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3i6e h VAL 209 CO 0.02 0.00 0.54 1.55 0.02 0.00 0.00 177.57 179.70 3i6e h PRO 210 N -0.77 0.99 -0.26 1.57 0.13 -1.92 -0.67 132.00 131.05 3i6e h PRO 210 Ca -0.04 -0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 64.85 3i6e h PRO 210 Cb 0.68 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3i6e h PRO 210 CO -0.02 0.65 -0.57 0.00 -0.23 0.00 0.00 178.00 177.83 3i6e h ARG 211 N 1.02 0.85 -0.44 0.86 3.08 -1.47 -2.65 114.38 115.62 3i6e h ARG 211 Ca 0.36 -0.56 -0.13 0.00 0.07 0.00 0.00 59.98 59.71 3i6e h ARG 211 Cb 0.09 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3i6e h ARG 211 CO -0.14 1.19 -0.24 0.28 -1.07 0.00 0.00 179.97 179.99 3i6e h VAL 212 N 0.62 1.27 -0.21 2.04 2.07 -1.08 -2.24 116.25 118.72 3i6e h VAL 212 Ca 0.00 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 3i6e h VAL 212 Cb 1.18 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3i6e h VAL 212 CO 0.13 0.47 -0.26 -0.07 0.02 0.00 0.00 177.57 177.86 3i6e h LEU 213 N 0.78 0.39 -0.11 2.57 3.38 -1.15 -1.10 115.31 120.08 3i6e h LEU 213 Ca 0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3i6e h LEU 213 Cb 0.80 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3i6e h LEU 213 CO 0.07 0.65 -0.07 -0.78 0.09 0.00 0.00 178.44 178.40 3i6e h ASP 214 N 0.34 0.25 -0.08 -0.43 1.82 -1.32 -3.05 116.42 113.95 3i6e h ASP 214 Ca 0.05 -0.45 -0.08 0.00 -0.39 0.00 0.00 57.03 56.17 3i6e h ASP 214 Cb 0.65 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 3i6e h ASP 214 CO 0.05 0.64 -0.17 0.58 -1.61 0.00 0.00 179.24 178.72 3i6e h VAL 215 N -0.15 1.24 -0.15 2.25 2.07 -1.35 -2.42 116.25 117.74 3i6e h VAL 215 Ca 0.02 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.48 3i6e h VAL 215 Cb 0.56 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3i6e h VAL 215 CO 0.02 0.35 0.11 0.00 0.02 0.00 0.00 177.57 178.06 3i6e h ALA 216 N 1.40 2.02 -0.38 1.67 0.00 -1.14 -1.03 119.26 121.81 3i6e h ALA 216 Ca 0.07 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3i6e h ALA 216 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3i6e h ALA 216 CO 0.04 -0.04 0.35 1.96 0.00 0.00 0.00 179.25 181.55 3i6e h GLN 217 N 0.10 0.00 -0.01 0.00 1.08 -1.32 0.30 115.11 115.27 3i6e h GLN 217 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3i6e h GLN 217 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3i6e h GLN 217 CO -0.01 0.00 0.00 1.19 -0.95 0.00 0.00 178.83 179.06 3i6e n PHE 218 N -3.97 0.00 -3.86 2.96 3.72 -0.39 -4.96 117.46 110.96 3i6e n PHE 218 Ca 0.06 -0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.19 3i6e n PHE 218 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 -0.57 -2.79 -1.08 -1.08 6.02 0.11 -4.96 117.38 113.03 3i6e n GLN 219 Ca 0.22 0.43 -0.30 0.00 -0.01 0.00 0.00 57.00 57.34 3i6e n GLN 219 Cb 0.20 -4.42 0.15 0.00 1.02 0.00 0.00 30.24 27.19 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 -6.38 1.11 0.44 -1.09 0.04 -1.26 -4.88 135.00 122.98 3i6e s PRO 220 Ca 0.14 0.96 0.10 0.00 0.04 0.00 0.00 61.00 62.24 3i6e s PRO 220 Cb -0.05 -1.78 0.96 0.00 0.04 0.00 0.00 34.50 33.66 3i6e s PRO 220 CO 0.88 -2.38 2.05 -0.44 0.04 0.00 0.00 177.00 177.15 3i6e h ASP 221 N -1.66 0.28 -4.40 6.66 3.32 -1.15 -3.45 116.42 116.04 3i6e h ASP 221 Ca -0.49 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 56.66 3i6e h ASP 221 Cb 1.28 -0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 3i6e h ASP 221 CO 0.52 0.26 0.56 0.72 -1.72 0.00 0.00 179.24 179.58 3i6e s PHE 222 N -5.20 -0.32 -0.17 4.55 -0.12 -1.26 -4.22 117.98 111.25 3i6e s PHE 222 Ca -0.07 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.14 3i6e s PHE 222 Cb 0.17 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 43.07 3i6e s PHE 222 CO 0.71 -0.42 -0.16 0.42 -0.05 0.00 0.00 175.22 175.72 3i6e s ILE 223 N -2.35 2.53 -0.10 -4.49 1.01 -0.22 -1.26 121.20 116.31 3i6e s ILE 223 Ca 0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 3i6e s ILE 223 Cb -0.01 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3i6e s ILE 223 CO -0.05 0.51 0.27 -0.70 0.00 0.00 0.00 174.94 174.98 3i6e s GLU 224 N 1.01 3.91 -0.04 2.79 2.12 0.11 -0.77 118.70 127.82 3i6e s GLU 224 Ca -0.02 0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.37 3i6e s GLU 224 Cb -0.15 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.95 3i6e s GLU 224 CO -0.04 0.53 0.07 0.94 -0.54 0.00 0.00 175.26 176.22 3i6e n GLN 225 N 2.59 -0.19 0.14 4.30 -0.06 0.15 -1.89 117.38 122.42 3i6e n GLN 225 Ca -0.15 0.14 -0.00 0.00 -2.00 0.00 0.00 57.00 54.99 3i6e n GLN 225 Cb 0.53 -0.20 0.27 0.00 -4.06 0.00 0.00 30.24 26.78 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 0.22 0.11 -5.37 3.69 0.11 -1.88 0.09 132.00 128.97 3i6e h PRO 226 Ca -0.06 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.42 3i6e h PRO 226 Cb 0.14 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.12 3i6e h PRO 226 CO 0.02 0.52 -0.58 0.14 -0.21 0.00 0.00 178.00 177.90 3i6e s VAL 227 N -4.07 1.43 0.47 3.15 -7.23 -1.26 -1.51 120.40 111.37 3i6e s VAL 227 Ca -0.03 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.92 3i6e s VAL 227 Cb 0.14 -2.70 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 3i6e s VAL 227 CO 0.75 0.00 0.78 0.54 -0.31 0.00 0.00 175.10 176.86 3i6e n ARG 228 N -0.93 0.91 -0.30 4.82 5.12 -1.25 -4.35 116.66 120.67 3i6e n ARG 228 Ca -0.07 0.33 0.12 0.00 -1.93 0.00 0.00 57.85 56.30 3i6e n ARG 228 Cb 0.67 -1.84 0.28 0.00 -1.16 0.00 0.00 32.46 30.41 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 0.95 1.33 0.00 7.54 0.00 -1.93 -1.33 119.26 125.82 3i6e h ALA 229 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3i6e h ALA 229 Cb 1.37 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3i6e h ALA 229 CO 0.53 -0.35 0.00 -2.39 0.00 0.00 0.00 179.25 177.04 3i6e n HIS 230 N -5.08 0.00 -1.34 0.00 1.44 -1.26 -4.27 115.22 104.70 3i6e n HIS 230 Ca 0.21 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.53 3i6e n HIS 230 Cb 0.62 -0.40 -0.03 0.00 0.12 0.00 0.00 29.99 30.29 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 -1.40 2.36 -0.33 -1.40 8.25 -0.50 -4.65 115.22 117.55 3i6e n HIS 231 Ca 0.07 -3.04 -0.03 0.00 -0.26 0.00 0.00 57.72 54.45 3i6e n HIS 231 Cb 0.19 -2.43 0.10 0.00 1.12 0.00 0.00 29.99 28.97 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 4.92 1.22 -0.04 4.41 -1.00 -1.85 -0.62 116.94 123.97 3i6e h PHE 232 Ca 0.85 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.60 3i6e h PHE 232 Cb 0.32 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.48 3i6e h PHE 232 CO 1.87 0.84 0.00 0.93 -1.61 0.00 0.00 178.31 180.34 3i6e h GLU 233 N 1.25 0.07 -0.81 1.51 5.08 -1.95 -1.43 114.58 118.30 3i6e h GLU 233 Ca 0.31 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3i6e h GLU 233 Cb 0.02 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3i6e h GLU 233 CO -0.05 0.35 0.33 1.25 -1.00 0.00 0.00 179.01 179.89 3i6e h LEU 234 N -0.22 1.11 -0.51 1.33 5.85 -1.92 -1.67 115.31 119.28 3i6e h LEU 234 Ca 0.01 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3i6e h LEU 234 Cb 0.32 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3i6e h LEU 234 CO 0.00 0.97 0.33 0.24 -0.34 0.00 0.00 178.44 179.64 3i6e h MET 235 N 1.17 0.64 -0.93 1.25 2.86 -1.03 0.10 114.93 119.00 3i6e h MET 235 Ca 0.27 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.91 3i6e h MET 235 Cb 0.21 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 3i6e h MET 235 CO -0.02 0.43 0.60 0.00 1.06 0.00 0.00 176.91 178.98 3i6e h ALA 236 N 1.20 1.23 -0.45 6.32 0.00 -0.81 -0.16 119.26 126.58 3i6e h ALA 236 Ca 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3i6e h ALA 236 Cb -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3i6e h ALA 236 CO -0.05 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.70 3i6e h ARG 237 N 1.18 0.78 -0.67 0.00 3.08 -0.52 -2.59 114.38 115.64 3i6e h ARG 237 Ca 0.37 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3i6e h ARG 237 Cb -0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3i6e h ARG 237 CO -0.12 0.82 0.44 -0.07 -1.07 0.00 0.00 179.97 179.98 3i6e h LEU 238 N 0.63 0.76 -1.18 3.04 3.38 -0.07 -1.99 115.31 119.89 3i6e h LEU 238 Ca 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i6e h LEU 238 Cb 0.45 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3i6e h LEU 238 CO 0.02 0.55 0.49 -0.09 0.09 0.00 0.00 178.44 179.50 3i6e h ARG 239 N 0.90 1.04 0.00 1.13 2.43 -0.66 -1.69 114.38 117.55 3i6e h ARG 239 Ca 0.24 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3i6e h ARG 239 Cb -0.10 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.22 3i6e h ARG 239 CO -0.05 0.72 0.00 0.41 -1.51 0.00 0.00 179.97 179.53 3i6e n GLY 240 N -1.34 -1.02 0.17 2.80 0.00 -0.76 -3.91 105.19 101.13 3i6e n GLY 240 Ca 0.08 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 0.56 0.00 0.99 3.38 -1.21 -3.48 115.31 115.55 3i6e h LEU 241 Ca 0.00 -0.43 -0.42 0.00 0.09 0.00 0.00 57.88 57.12 3i6e h LEU 241 Cb 0.07 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.54 3i6e h LEU 241 CO 0.00 1.22 -0.37 0.35 0.09 0.00 0.00 178.44 179.73 3i6e n THR 242 N -3.78 0.00 -0.19 0.22 -2.24 -1.25 -5.04 114.28 101.99 3i6e n THR 242 Ca -0.06 -2.26 0.10 0.00 -2.27 0.00 0.00 64.05 59.55 3i6e n THR 242 Cb 0.81 1.20 0.24 0.00 -2.10 0.00 0.00 70.33 70.48 3i6e n THR 242 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i6e n ASP 243 N -1.65 3.49 -4.70 3.42 8.00 -1.26 -4.91 116.55 118.94 3i6e n ASP 243 Ca 0.06 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.16 3i6e n ASP 243 Cb 0.61 -0.36 -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 -1.06 4.87 0.24 2.53 1.01 -1.26 -4.98 120.40 121.75 3i6e s VAL 244 Ca 0.38 1.95 -0.31 0.00 0.00 0.00 0.00 61.98 64.00 3i6e s VAL 244 Cb 0.20 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 3i6e s VAL 244 CO 0.27 0.12 1.39 -2.65 0.00 0.00 0.00 175.10 174.22 3i6e n PRO 245 N 4.30 1.98 -3.75 2.72 -0.02 -1.26 -4.82 135.00 134.15 3i6e n PRO 245 Ca 0.06 0.70 -0.37 0.00 -2.02 0.00 0.00 63.50 61.88 3i6e n PRO 245 Cb 0.50 -2.35 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 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 0.09 3.51 -0.14 2.45 2.96 -1.26 -1.05 118.68 125.23 3i6e s LEU 246 Ca 0.68 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.25 3i6e s LEU 246 Cb -0.66 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 3i6e s LEU 246 CO 0.50 -0.06 0.12 -0.76 -1.32 0.00 0.00 176.35 174.83 3i6e s LEU 247 N 1.60 4.21 -0.02 -0.68 1.43 0.05 -0.52 118.68 124.75 3i6e s LEU 247 Ca 0.06 0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 3i6e s LEU 247 Cb -0.15 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 3i6e s LEU 247 CO 0.04 0.33 0.48 0.00 0.23 0.00 0.00 176.35 177.42 3i6e s ALA 248 N -0.53 3.59 0.00 4.21 0.00 -0.38 -0.67 121.76 127.98 3i6e s ALA 248 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3i6e s ALA 248 Cb -0.12 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.46 3i6e s ALA 248 CO 0.02 0.30 0.00 -3.47 0.00 0.00 0.00 175.76 172.61 3i6e n ASP 249 N 2.42 0.00 0.22 0.00 -0.08 -1.26 -1.13 116.55 116.72 3i6e n ASP 249 Ca -0.11 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.32 3i6e n ASP 249 Cb 0.52 0.00 0.77 0.00 2.34 0.00 0.00 41.12 44.75 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 -1.93 -0.24 114.58 114.81 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 0.77 -1.40 0.00 0.00 179.01 178.38 3i6e h SER 251 N 0.00 0.00 -3.38 1.42 0.02 -1.89 -3.41 113.55 106.31 3i6e h SER 251 Ca 0.06 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.47 3i6e h SER 251 Cb 0.29 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.44 3i6e h SER 251 CO -0.00 0.00 -0.78 -0.69 -1.14 0.00 0.00 176.83 174.22 3i6e s VAL 252 N -3.52 0.89 -0.09 2.27 1.01 -0.10 -4.89 120.40 115.97 3i6e s VAL 252 Ca 0.01 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 3i6e s VAL 252 Cb 0.09 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3i6e s VAL 252 CO 0.39 -0.09 -0.16 -1.22 0.00 0.00 0.00 175.10 174.03 3i6e n TYR 253 N 4.92 0.19 -3.94 5.22 4.02 -1.26 -4.85 117.16 121.46 3i6e n TYR 253 Ca -0.10 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3i6e n TYR 253 Cb 0.47 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 1.55 4.42 0.30 2.72 0.00 -1.26 -3.15 105.19 109.76 3i6e n GLY 254 Ca -0.06 -2.19 0.09 0.00 0.00 0.00 0.00 46.02 43.86 3i6e n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i6e h PRO 255 N 0.00 0.14 -0.06 1.61 0.13 -1.92 -1.32 132.00 130.58 3i6e h PRO 255 Ca 0.00 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3i6e h PRO 255 Cb 0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.10 3i6e h PRO 255 CO 0.00 0.09 0.03 0.93 -0.23 0.00 0.00 178.00 178.82 3i6e h GLU 256 N 0.14 0.08 -0.44 0.86 3.07 -1.99 -0.91 114.58 115.39 3i6e h GLU 256 Ca 0.09 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.88 3i6e h GLU 256 Cb 0.18 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3i6e h GLU 256 CO -0.01 0.17 0.05 -0.44 -1.40 0.00 0.00 179.01 177.38 3i6e h ASP 257 N -0.03 0.65 -0.71 1.42 3.32 -1.77 -2.73 116.42 116.58 3i6e h ASP 257 Ca 0.02 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3i6e h ASP 257 Cb 0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3i6e h ASP 257 CO -0.00 0.69 0.26 -0.03 -1.72 0.00 0.00 179.24 178.44 3i6e h MET 258 N 0.66 1.07 -0.56 3.56 4.05 -0.83 0.25 114.93 123.14 3i6e h MET 258 Ca 0.14 -0.21 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 3i6e h MET 258 Cb 0.34 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 3i6e h MET 258 CO 0.01 0.90 0.34 0.28 0.23 0.00 0.00 176.91 178.66 3i6e h VAL 259 N 1.02 1.17 -0.25 -5.77 2.07 -0.97 0.16 116.25 113.67 3i6e h VAL 259 Ca 0.23 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 3i6e h VAL 259 Cb 0.24 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3i6e h VAL 259 CO -0.01 0.17 -0.10 -0.09 0.02 0.00 0.00 177.57 177.55 3i6e h ARG 260 N 0.75 0.52 -0.80 1.57 2.43 -1.16 -1.85 114.38 115.85 3i6e h ARG 260 Ca 0.20 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3i6e h ARG 260 Cb -0.01 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3i6e h ARG 260 CO -0.04 0.76 0.48 0.00 -1.51 0.00 0.00 179.97 179.66 3i6e h ALA 261 N 0.74 1.01 -0.37 2.80 0.00 -0.29 -0.57 119.26 122.58 3i6e h ALA 261 Ca 0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3i6e h ALA 261 Cb 0.60 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3i6e h ALA 261 CO 0.03 0.48 -0.20 0.00 0.00 0.00 0.00 179.25 179.57 3i6e h ALA 262 N 1.25 0.52 -0.70 0.00 0.00 -0.93 -1.56 119.26 117.85 3i6e h ALA 262 Ca 0.29 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3i6e h ALA 262 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3i6e h ALA 262 CO -0.05 0.48 0.34 1.25 0.00 0.00 0.00 179.25 181.26 3i6e h HIS 263 N 0.58 1.01 -0.00 0.00 6.17 -1.01 -2.48 115.15 119.42 3i6e h HIS 263 Ca 0.08 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.11 3i6e h HIS 263 Cb 0.75 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.37 3i6e h HIS 263 CO 0.06 0.75 -0.05 0.39 0.71 0.00 0.00 177.93 179.78 3i6e n GLU 264 N -4.44 0.73 -3.67 5.26 1.02 -0.25 -4.94 120.64 114.35 3i6e n GLU 264 Ca 0.06 -0.16 -0.22 0.00 -0.02 0.00 0.00 57.16 56.82 3i6e n GLU 264 Cb 0.13 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.10 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 -0.34 0.05 0.62 0.00 -0.62 -4.83 105.19 101.30 3i6e n GLY 265 Ca 0.17 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.34 0.00 -3.95 -0.61 -5.35 -1.01 -4.45 119.36 99.65 3i6e n ILE 266 Ca -0.24 -0.03 -0.11 0.00 -0.27 0.00 0.00 62.75 62.10 3i6e n ILE 266 Cb 0.65 -0.10 -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 -1.16 0.66 -3.65 0.00 8.00 0.32 -4.97 116.55 115.75 3i6e n ASP 268 Ca -0.03 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.80 3i6e n ASP 268 Cb 0.61 1.04 0.01 0.00 -0.02 0.00 0.00 41.12 42.75 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 -2.05 -0.19 0.03 0.44 0.00 -1.19 -1.84 107.32 102.52 3i6e s GLY 269 Ca 0.03 0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.96 3i6e s GLY 269 CO 0.41 2.45 -0.06 0.54 0.00 0.00 0.00 173.10 176.43 3i6e s VAL 270 N -2.32 0.45 -0.32 1.40 0.11 -0.25 -1.25 120.40 118.23 3i6e s VAL 270 Ca 0.21 -0.81 -0.19 0.00 -2.93 0.00 0.00 61.98 58.26 3i6e s VAL 270 Cb 0.01 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.36 3i6e s VAL 270 CO -0.00 -0.25 0.57 -0.55 -3.33 0.00 0.00 175.10 171.54 3i6e s SER 271 N -1.14 6.42 -0.21 3.54 0.15 -0.28 -1.17 113.70 121.01 3i6e s SER 271 Ca -0.07 0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.74 3i6e s SER 271 Cb -0.08 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 3i6e s SER 271 CO 0.00 -0.45 0.22 -0.63 1.20 0.00 0.00 173.24 173.58 3i6e s ILE 272 N 2.50 5.33 -0.05 6.45 1.01 0.49 -4.78 121.20 132.15 3i6e s ILE 272 Ca 0.22 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.23 3i6e s ILE 272 Cb -0.15 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.78 3i6e s ILE 272 CO 0.12 0.35 -0.07 -0.54 0.00 0.00 0.00 174.94 174.80 3i6e s LYS 273 N 0.90 1.04 0.51 2.79 1.02 -1.26 -1.95 119.74 122.80 3i6e s LYS 273 Ca 0.11 -0.20 0.23 0.00 0.02 0.00 0.00 55.97 56.13 3i6e s LYS 273 Cb -0.13 -0.97 1.35 0.00 -0.52 0.00 0.00 37.83 37.56 3i6e s LYS 273 CO 0.04 -0.03 2.08 -0.84 -0.92 0.00 0.00 175.35 175.68 3i6e h ILE 274 N 6.03 0.78 0.00 2.17 3.07 -1.87 -0.89 117.51 126.80 3i6e h ILE 274 Ca -0.36 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 65.60 3i6e h ILE 274 Cb 1.16 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 3i6e h ILE 274 CO 0.48 0.11 0.00 0.24 -1.05 0.00 0.00 178.15 177.93 3i6e h MET 275 N 0.00 0.00 0.05 0.16 2.86 -1.91 -0.18 114.93 115.92 3i6e h MET 275 Ca -0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.26 3i6e h MET 275 Cb 0.26 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 3i6e h MET 275 CO 0.02 0.00 -2.19 1.63 1.06 0.00 0.00 176.91 177.42 3i6e n LYS 276 N -3.05 0.69 0.20 1.72 5.02 -0.44 -2.96 118.16 119.34 3i6e n LYS 276 Ca 0.00 0.24 0.14 0.00 -2.02 0.00 0.00 58.31 56.67 3i6e n LYS 276 Cb 0.27 -1.62 0.52 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.11 0.00 -1.93 4.39 4.64 -1.14 -3.39 113.55 116.00 3i6e h SER 277 Ca -0.51 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.55 3i6e h SER 277 Cb 1.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.98 3i6e h SER 277 CO -0.05 0.00 -0.34 0.61 -0.87 0.00 0.00 176.83 176.18 3i6e n GLY 278 N 0.33 -0.16 0.00 -0.77 0.00 -0.09 -4.72 105.19 99.77 3i6e n GLY 278 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.03 2.94 0.15 -0.02 0.00 -1.20 -3.78 105.19 102.26 3i6e n GLY 279 Ca -0.15 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 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 0.77 -0.42 0.99 4.07 -1.89 -2.90 115.31 115.93 3i6e h LEU 280 Ca 0.00 -0.75 -0.06 0.00 0.08 0.00 0.00 57.88 57.15 3i6e h LEU 280 Cb 0.00 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 3i6e h LEU 280 CO 0.00 1.56 0.01 0.74 -1.08 0.00 0.00 178.44 179.68 3i6e h THR 281 N 0.20 1.26 -0.15 0.22 2.02 -1.97 -2.02 112.91 112.47 3i6e h THR 281 Ca -0.19 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 65.95 3i6e h THR 281 Cb 1.97 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 3i6e h THR 281 CO 0.24 0.34 -0.09 0.03 0.37 0.00 0.00 175.52 176.41 3i6e h ARG 282 N 0.57 0.22 -0.59 6.66 3.08 -1.86 -0.51 114.38 121.96 3i6e h ARG 282 Ca 0.12 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3i6e h ARG 282 Cb 0.46 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3i6e h ARG 282 CO 0.02 0.33 -0.05 0.00 -1.07 0.00 0.00 179.97 179.20 3i6e h ALA 283 N 1.70 0.80 -0.74 0.04 0.00 -1.26 -1.99 119.26 117.81 3i6e h ALA 283 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3i6e h ALA 283 Cb 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3i6e h ALA 283 CO 0.02 0.68 0.34 1.96 0.00 0.00 0.00 179.25 182.24 3i6e h GLN 284 N 0.96 1.07 -0.68 0.00 4.20 -0.50 -2.33 115.11 117.83 3i6e h GLN 284 Ca 0.16 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3i6e h GLN 284 Cb 0.61 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3i6e h GLN 284 CO 0.04 0.85 0.40 1.15 -0.67 0.00 0.00 178.83 180.60 3i6e h THR 285 N 1.04 1.20 -0.23 -0.54 2.02 -0.82 -0.41 112.91 115.18 3i6e h THR 285 Ca 0.25 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 67.02 3i6e h THR 285 Cb 0.14 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 3i6e h THR 285 CO -0.03 0.21 -0.01 0.58 0.37 0.00 0.00 175.52 176.64 3i6e h VAL 286 N 0.92 0.83 -0.54 3.16 2.07 -1.04 0.38 116.25 122.03 3i6e h VAL 286 Ca 0.24 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3i6e h VAL 286 Cb -0.01 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3i6e h VAL 286 CO -0.04 0.01 0.30 0.00 0.02 0.00 0.00 177.57 177.85 3i6e h ALA 287 N 1.20 0.70 -0.62 1.67 0.00 -0.89 -0.34 119.26 120.97 3i6e h ALA 287 Ca 0.11 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3i6e h ALA 287 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3i6e h ALA 287 CO -0.19 -0.03 0.04 0.00 0.00 0.00 0.00 179.25 179.08 3i6e h ARG 288 N 0.58 1.05 -0.52 0.00 3.08 -0.64 -0.37 114.38 117.56 3i6e h ARG 288 Ca 0.23 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3i6e h ARG 288 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3i6e h ARG 288 CO -0.14 1.00 -0.15 0.82 -1.07 0.00 0.00 179.97 180.44 3i6e h ILE 289 N 0.97 1.27 -0.27 2.04 2.04 -0.61 -1.50 117.51 121.45 3i6e h ILE 289 Ca 0.18 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 3i6e h ILE 289 Cb 0.50 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3i6e h ILE 289 CO 0.02 0.46 0.17 0.00 0.00 0.00 0.00 178.15 178.80 3i6e h ALA 290 N 0.93 0.34 -0.79 1.87 0.00 -0.77 -2.63 119.26 118.22 3i6e h ALA 290 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3i6e h ALA 290 Cb 0.72 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3i6e h ALA 290 CO 0.05 -0.16 0.50 0.00 0.00 0.00 0.00 179.25 179.64 3i6e h ALA 291 N 1.07 1.04 0.00 0.00 0.00 -0.86 0.32 119.26 120.83 3i6e h ALA 291 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i6e h ALA 291 Cb -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i6e h ALA 291 CO -0.02 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.51 3i6e h ALA 292 N 1.33 1.57 -0.37 0.00 0.00 -0.93 -0.48 119.26 120.38 3i6e h ALA 292 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i6e h ALA 292 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i6e h ALA 292 CO -0.11 0.05 0.00 0.72 0.00 0.00 0.00 179.25 179.90 3i6e n HIS 293 N -3.96 0.47 -2.25 0.00 8.25 -0.53 -4.93 115.22 112.28 3i6e n HIS 293 Ca -0.03 -0.24 -0.06 0.00 -0.26 0.00 0.00 57.72 57.14 3i6e n HIS 293 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 1.38 0.21 3.56 -1.41 0.00 -0.19 -5.04 105.19 103.70 3i6e n GLY 294 Ca 0.18 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.87 3.05 0.65 0.99 1.43 -0.01 -4.98 118.68 117.94 3i6e s LEU 295 Ca 0.03 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 3i6e s LEU 295 Cb -0.01 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3i6e s LEU 295 CO 0.04 0.31 0.99 0.00 0.23 0.00 0.00 176.35 177.93 3i6e s MET 296 N -1.13 2.82 0.01 1.70 0.23 -0.77 -3.47 119.30 118.70 3i6e s MET 296 Ca 0.15 0.16 0.03 0.00 -1.03 0.00 0.00 55.69 55.00 3i6e s MET 296 Cb -0.11 -2.16 -0.01 0.00 -1.53 0.00 0.00 34.83 31.02 3i6e s MET 296 CO 0.04 -0.89 -0.10 0.00 -2.03 0.00 0.00 175.02 172.04 3i6e s ALA 297 N -3.17 0.83 0.06 3.16 0.00 -1.26 -1.09 121.76 120.30 3i6e s ALA 297 Ca 0.56 -0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.07 3i6e s ALA 297 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3i6e s ALA 297 CO 0.48 0.17 -0.21 -0.47 0.00 0.00 0.00 175.76 175.74 3i6e s TYR 298 N -0.47 1.79 -1.15 0.00 5.04 -0.32 -2.35 117.35 119.90 3i6e s TYR 298 Ca 0.02 -0.38 -0.16 0.00 -2.44 0.00 0.00 57.07 54.11 3i6e s TYR 298 Cb -0.05 -1.05 0.15 0.00 0.35 0.00 0.00 41.96 41.36 3i6e s TYR 298 CO 0.00 0.12 1.40 0.20 -1.34 0.00 0.00 175.55 175.92 3i6e s GLY 299 N -1.36 2.18 0.93 8.97 0.00 0.42 -0.38 107.32 118.08 3i6e s GLY 299 Ca 0.07 -3.14 -0.15 0.00 0.00 0.00 0.00 44.72 41.49 3i6e s GLY 299 CO 0.02 2.13 1.29 -0.32 0.00 0.00 0.00 173.10 176.23 3i6e s GLY 300 N 3.23 1.74 0.24 0.20 0.00 -0.82 -1.36 107.32 110.55 3i6e s GLY 300 Ca 0.42 -1.08 -0.19 0.00 0.00 0.00 0.00 44.72 43.86 3i6e s GLY 300 CO -0.02 -0.37 0.62 0.51 0.00 0.00 0.00 173.10 173.85 3i6e s ASP 301 N -4.81 -0.26 0.00 1.64 -4.77 -1.26 -4.54 116.67 102.66 3i6e s ASP 301 Ca 0.71 -0.58 0.00 0.00 -3.30 0.00 0.00 52.55 49.39 3i6e s ASP 301 Cb -0.05 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.44 3i6e s ASP 301 CO 0.52 -1.21 0.00 0.80 0.70 0.00 0.00 175.17 175.98 3i6e n MET 302 N -0.41 1.56 -2.84 2.11 1.56 -1.26 -4.97 117.12 112.87 3i6e n MET 302 Ca -0.06 0.00 -0.44 0.00 -0.27 0.00 0.00 57.70 56.93 3i6e n MET 302 Cb 0.61 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 35.98 3i6e n MET 302 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 3i6e s PHE 303 N 1.11 3.29 0.45 1.12 0.08 -1.26 -4.93 117.98 117.83 3i6e s PHE 303 Ca 0.00 -1.99 0.07 0.00 0.12 0.00 0.00 56.93 55.13 3i6e s PHE 303 Cb 0.00 -4.45 -0.00 0.00 -0.57 0.00 0.00 43.02 38.00 3i6e s PHE 303 CO 0.00 -1.52 0.42 -1.83 -0.10 0.00 0.00 175.22 172.19 3i6e s GLU 304 N 2.36 2.48 0.02 0.44 -1.05 -1.26 -4.83 118.70 116.86 3i6e s GLU 304 Ca 0.46 -1.61 0.00 0.00 -0.15 0.00 0.00 54.97 53.67 3i6e s GLU 304 Cb -0.01 -2.36 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 3i6e s GLU 304 CO 0.03 -0.32 0.02 0.00 0.95 0.00 0.00 175.26 175.94 3i6e n ALA 305 N -1.65 0.03 0.24 -0.84 0.00 -1.26 -4.41 120.51 112.62 3i6e n ALA 305 Ca 0.04 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.49 3i6e n ALA 305 Cb 0.62 0.02 0.59 0.00 0.00 0.00 0.00 19.45 20.68 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 0.01 0.00 1.03 0.00 0.00 -1.97 -1.67 103.07 100.47 3i6e h GLY 306 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 3i6e h GLY 306 CO 0.01 0.00 -0.12 -2.00 0.00 0.00 0.00 176.54 174.43 3i6e h LEU 307 N 0.00 0.89 -0.43 3.11 5.85 -1.96 -1.10 115.31 121.68 3i6e h LEU 307 Ca -0.00 -0.37 -0.17 0.00 0.84 0.00 0.00 57.88 58.18 3i6e h LEU 307 Cb 0.37 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3i6e h LEU 307 CO 0.02 1.06 -0.58 0.00 -0.34 0.00 0.00 178.44 178.60 3i6e h ALA 308 N 0.87 0.61 -0.82 1.25 0.00 -1.81 -2.85 119.26 116.51 3i6e h ALA 308 Ca 0.11 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3i6e h ALA 308 Cb 0.67 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3i6e h ALA 308 CO 0.05 0.69 0.53 0.45 0.00 0.00 0.00 179.25 180.97 3i6e h HIS 309 N 0.48 0.99 -0.26 0.00 3.86 -1.07 -1.15 115.15 118.00 3i6e h HIS 309 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3i6e h HIS 309 Cb 1.14 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 3i6e h HIS 309 CO 0.05 0.57 0.09 -0.07 0.86 0.00 0.00 177.93 179.44 3i6e h LEU 310 N 1.02 0.36 -0.25 2.43 3.38 -1.11 0.15 115.31 121.30 3i6e h LEU 310 Ca 0.33 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3i6e h LEU 310 Cb 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3i6e h LEU 310 CO -0.11 0.45 0.13 0.00 0.09 0.00 0.00 178.44 178.99 3i6e h ALA 311 N 0.93 0.30 -0.25 1.53 0.00 -1.25 -0.37 119.26 120.16 3i6e h ALA 311 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3i6e h ALA 311 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3i6e h ALA 311 CO -0.01 -0.27 0.02 0.78 0.00 0.00 0.00 179.25 179.77 3i6e h GLY 312 N 0.27 0.38 0.75 0.00 0.00 -1.05 -1.94 103.07 101.48 3i6e h GLY 312 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3i6e h GLY 312 CO -0.07 0.19 -0.09 -0.84 0.00 0.00 0.00 176.54 175.72 3i6e h THR 313 N 0.35 1.32 -0.71 4.70 2.02 0.19 -1.83 112.91 118.96 3i6e h THR 313 Ca 0.08 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 3i6e h THR 313 Cb 0.21 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 3i6e h THR 313 CO 0.00 0.35 0.40 0.45 0.37 0.00 0.00 175.52 177.09 3i6e h HIS 314 N -0.00 0.97 0.06 3.16 3.86 -0.87 -0.37 115.15 121.96 3i6e h HIS 314 Ca 0.03 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3i6e h HIS 314 Cb 0.58 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 3i6e h HIS 314 CO 0.07 0.67 -0.10 1.98 0.86 0.00 0.00 177.93 181.41 3i6e h MET 315 N 0.98 -0.19 -0.45 2.45 -1.53 -1.29 -2.46 114.93 112.43 3i6e h MET 315 Ca 0.25 0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.50 3i6e h MET 315 Cb 0.01 0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 3i6e h MET 315 CO -0.04 -0.13 0.15 0.82 0.14 0.00 0.00 176.91 177.85 3i6e h ILE 316 N -0.20 1.18 0.00 1.77 2.04 -1.13 -2.23 117.51 118.93 3i6e h ILE 316 Ca 0.02 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3i6e h ILE 316 Cb 0.22 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3i6e h ILE 316 CO -0.06 0.23 -0.06 0.00 0.00 0.00 0.00 178.15 178.26 3i6e h ALA 317 N 1.53 1.63 -0.50 1.87 0.00 -0.61 -2.01 119.26 121.17 3i6e h ALA 317 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i6e h ALA 317 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i6e h ALA 317 CO -0.01 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3i6e n ALA 318 N -2.40 2.87 -3.69 0.00 0.00 -0.86 -0.75 120.51 115.68 3i6e n ALA 318 Ca -0.03 -1.66 -0.30 0.00 0.00 0.00 0.00 53.44 51.46 3i6e n ALA 318 Cb 0.15 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.88 1.13 0.46 0.00 2.01 -0.76 -4.85 115.64 111.76 3i6e s THR 319 Ca 0.43 -2.18 0.18 0.00 0.31 0.00 0.00 61.69 60.43 3i6e s THR 319 Cb 0.29 -1.81 0.36 0.00 0.01 0.00 0.00 72.50 71.35 3i6e s THR 319 CO 0.19 -0.85 1.95 -0.65 -0.69 0.00 0.00 174.62 174.57 3i6e h PRO 320 N 7.08 0.29 -0.25 4.92 0.11 -1.88 -2.50 132.00 139.78 3i6e h PRO 320 Ca -0.03 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.13 3i6e h PRO 320 Cb 0.95 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3i6e h PRO 320 CO 0.45 0.19 0.19 0.93 -0.21 0.00 0.00 178.00 179.56 3i6e h GLU 321 N 0.30 0.00 -5.83 1.05 3.07 -1.93 -3.37 114.58 107.86 3i6e h GLU 321 Ca 0.32 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.56 3i6e h GLU 321 Cb 0.83 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.61 3i6e h GLU 321 CO -0.08 0.00 0.51 0.42 -1.40 0.00 0.00 179.01 178.46 3i6e s ILE 322 N -4.92 4.46 0.00 3.13 1.01 -0.94 -3.99 121.20 119.95 3i6e s ILE 322 Ca -0.05 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.91 3i6e s ILE 322 Cb 0.17 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 38.16 3i6e s ILE 322 CO 0.66 -1.01 0.31 0.35 0.00 0.00 0.00 174.94 175.24 3i6e n THR 323 N 6.18 0.00 0.95 2.92 -2.24 -1.03 -4.72 114.28 116.34 3i6e n THR 323 Ca 0.02 -0.50 0.06 0.00 -2.27 0.00 0.00 64.05 61.36 3i6e n THR 323 Cb 0.48 1.00 0.16 0.00 -2.10 0.00 0.00 70.33 69.87 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 -0.38 1.79 0.00 3.22 4.77 -0.99 -5.04 117.00 120.36 3i6e n LEU 324 Ca 0.00 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3i6e n LEU 324 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3i6e n LEU 324 CO 0.00 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3i6e n GLY 325 N 1.04 -2.37 3.23 -0.72 0.00 -1.26 -4.81 105.19 100.30 3i6e n GLY 325 Ca 0.12 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.27 3.00 -1.73 0.00 0.28 -0.46 -0.60 120.64 120.86 3i6e n GLU 327 Ca -0.02 -4.08 -0.40 0.00 -0.16 0.00 0.00 57.16 52.50 3i6e n GLU 327 Cb 0.65 -2.06 -0.01 0.00 1.43 0.00 0.00 31.44 31.45 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 -0.55 2.71 0.07 -1.84 3.72 -1.26 -4.52 117.46 115.80 3i6e n PHE 328 Ca 0.33 -2.95 0.11 0.00 -0.05 0.00 0.00 57.45 54.89 3i6e n PHE 328 Cb 0.83 -2.22 -0.13 0.00 -0.94 0.00 0.00 39.48 37.02 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 3.42 0.20 -0.11 1.38 0.18 -1.26 -4.63 117.16 116.34 3i6e n TYR 329 Ca 0.64 0.06 -0.05 0.00 1.88 0.00 0.00 57.90 60.43 3i6e n TYR 329 Cb 0.28 -0.57 0.01 0.00 -0.38 0.00 0.00 39.34 38.68 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 0.05 -0.14 -3.48 7.50 -1.85 0.48 115.11 117.67 3i6e h GLN 330 Ca 0.00 -0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.19 3i6e h GLN 330 Cb 0.97 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.49 3i6e h GLN 330 CO 0.00 0.03 0.16 0.00 -1.50 0.00 0.00 178.83 177.52 3i6e h ALA 331 N 1.35 1.73 0.01 3.87 0.00 -1.82 0.20 119.26 124.61 3i6e h ALA 331 Ca 0.18 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.71 3i6e h ALA 331 Cb 0.26 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3i6e h ALA 331 CO -0.34 -0.23 -2.35 0.43 0.00 0.00 0.00 179.25 176.76 3i6e n SER 332 N -3.80 1.21 0.00 0.00 7.64 -0.78 -4.70 113.62 113.20 3i6e n SER 332 Ca 0.01 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 3i6e n SER 332 Cb 0.27 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 3i6e n SER 332 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3i6e n TYR 333 N -3.08 0.00 -0.02 1.43 4.01 0.09 -4.91 117.16 114.67 3i6e n TYR 333 Ca -0.38 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.30 3i6e n TYR 333 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.07 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 -0.35 0.00 -2.33 -0.72 7.35 0.54 -4.99 117.46 116.96 3i6e n PHE 334 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 3i6e n PHE 334 Cb 0.02 -0.21 -0.03 0.00 0.35 0.00 0.00 39.48 39.61 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 -6.54 4.40 0.27 -2.13 1.43 -0.17 -4.52 118.68 111.42 3i6e s LEU 335 Ca -0.09 2.39 0.04 0.00 -1.03 0.00 0.00 54.13 55.44 3i6e s LEU 335 Cb 0.03 -3.77 0.36 0.00 0.03 0.00 0.00 46.19 42.85 3i6e s LEU 335 CO 0.11 -0.41 1.66 -1.13 0.23 0.00 0.00 176.35 176.82 3i6e h ASN 336 N 3.32 0.37 -3.77 2.29 -1.24 -1.19 -3.44 115.58 111.92 3i6e h ASN 336 Ca -0.48 -0.16 -0.11 0.00 0.71 0.00 0.00 56.30 56.26 3i6e h ASN 336 Cb 1.22 -0.10 -0.24 0.00 0.73 0.00 0.00 38.32 39.93 3i6e h ASN 336 CO 0.65 0.75 -0.21 -0.70 -1.29 0.00 0.00 177.43 176.62 3i6e s GLU 337 N -4.17 0.50 0.47 6.67 2.12 -1.26 -5.09 118.70 117.94 3i6e s GLU 337 Ca -0.05 0.65 -0.01 0.00 0.36 0.00 0.00 54.97 55.92 3i6e s GLU 337 Cb 0.13 0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.72 3i6e s GLU 337 CO 0.79 -0.08 0.71 0.34 -0.54 0.00 0.00 175.26 176.48 3i6e s ASP 338 N 0.45 5.80 0.00 -1.70 2.15 -1.26 -4.89 116.67 117.22 3i6e s ASP 338 Ca -0.02 0.37 0.27 0.00 0.43 0.00 0.00 52.55 53.61 3i6e s ASP 338 Cb -0.04 -1.58 0.93 0.00 -0.30 0.00 0.00 42.92 41.93 3i6e s ASP 338 CO -0.02 -0.76 1.68 2.30 -0.17 0.00 0.00 175.17 178.20 3i6e n ILE 339 N -2.17 0.00 -2.86 4.11 -5.35 -1.26 -4.94 119.36 106.89 3i6e n ILE 339 Ca 0.02 -0.28 -0.31 0.00 -0.27 0.00 0.00 62.75 61.91 3i6e n ILE 339 Cb 0.58 0.64 -0.04 0.00 -1.74 0.00 0.00 39.64 39.08 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 -2.01 3.85 0.18 7.28 1.43 -1.26 -0.07 118.68 128.08 3i6e s LEU 340 Ca 0.36 1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 54.66 3i6e s LEU 340 Cb 0.21 -4.08 0.07 0.00 0.03 0.00 0.00 46.19 42.42 3i6e s LEU 340 CO 0.33 -0.38 1.44 -0.33 0.23 0.00 0.00 176.35 177.64 3i6e h GLU 341 N 1.41 0.40 -6.61 1.70 5.08 -1.52 -3.42 114.58 111.61 3i6e h GLU 341 Ca -0.47 -0.32 -0.69 0.00 -1.00 0.00 0.00 59.36 56.87 3i6e h GLU 341 Cb 1.18 0.07 -0.24 0.00 0.50 0.00 0.00 28.75 30.26 3i6e h GLU 341 CO 0.64 0.96 -0.84 0.95 -1.00 0.00 0.00 179.01 179.72 3i6e s THR 342 N -3.64 2.52 0.42 1.13 -4.23 -1.26 -5.05 115.64 105.54 3i6e s THR 342 Ca -0.06 -1.21 -0.26 0.00 -1.18 0.00 0.00 61.69 58.98 3i6e s THR 342 Cb 0.11 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 71.83 3i6e s THR 342 CO 0.84 0.39 1.41 -2.65 -0.54 0.00 0.00 174.62 174.07 3i6e n PRO 343 N 1.77 2.30 -2.01 3.99 -0.02 -1.26 -4.92 135.00 134.85 3i6e n PRO 343 Ca -0.16 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 3i6e n PRO 343 Cb 0.52 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.17 1.85 -0.15 6.00 5.36 -1.26 -4.91 117.98 123.71 3i6e s PHE 344 Ca 0.59 0.59 -0.29 0.00 -0.96 0.00 0.00 56.93 56.85 3i6e s PHE 344 Cb -0.47 -4.11 -0.05 0.00 -0.34 0.00 0.00 43.02 38.05 3i6e s PHE 344 CO 0.59 -3.00 1.81 1.03 -1.46 0.00 0.00 175.22 174.19 3i6e s ARG 345 N 5.45 3.78 -0.07 10.12 0.52 -1.26 -4.97 118.95 132.52 3i6e s ARG 345 Ca 0.79 1.99 -0.01 0.00 -0.52 0.00 0.00 55.73 57.98 3i6e s ARG 345 Cb -0.23 -4.12 0.03 0.00 0.52 0.00 0.00 34.95 31.14 3i6e s ARG 345 CO 0.33 -1.33 -0.01 0.08 0.02 0.00 0.00 175.30 174.38 3i6e s VAL 346 N 5.53 0.45 -0.12 3.52 1.01 -1.26 -1.24 120.40 128.28 3i6e s VAL 346 Ca 0.81 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.84 3i6e s VAL 346 Cb -0.31 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.52 3i6e s VAL 346 CO 0.33 0.26 -0.15 -1.61 0.00 0.00 0.00 175.10 173.93 3i6e s GLU 347 N 1.71 2.24 -1.55 2.72 2.02 -0.33 -4.79 118.70 120.72 3i6e s GLU 347 Ca 0.01 -0.56 -0.14 0.00 0.02 0.00 0.00 54.97 54.31 3i6e s GLU 347 Cb -0.13 -1.97 0.09 0.00 0.10 0.00 0.00 34.13 32.23 3i6e s GLU 347 CO -0.04 -0.13 0.95 0.00 0.02 0.00 0.00 175.26 176.06 3i6e n ALA 348 N 4.43 -1.30 -0.86 5.21 0.00 -1.26 -1.34 120.51 125.41 3i6e n ALA 348 Ca -0.18 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i6e n ALA 348 Cb 0.51 -4.30 0.00 0.00 0.00 0.00 0.00 19.45 15.65 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 -1.66 0.73 3.17 0.00 0.00 -1.21 -4.58 105.19 101.64 3i6e n GLY 349 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.14 2.89 0.28 1.61 -1.52 -0.45 -1.10 119.66 121.23 3i6e s GLN 350 Ca 0.00 -0.81 -0.29 0.00 -1.95 0.00 0.00 55.36 52.30 3i6e s GLN 350 Cb 0.00 -2.31 -0.10 0.00 -0.22 0.00 0.00 33.01 30.39 3i6e s GLN 350 CO 0.00 0.03 1.36 0.08 -0.25 0.00 0.00 175.29 176.51 3i6e s VAL 351 N 0.71 2.79 -0.27 1.09 1.01 0.13 -1.19 120.40 124.67 3i6e s VAL 351 Ca -0.10 0.71 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 3i6e s VAL 351 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3i6e s VAL 351 CO 0.01 0.14 0.35 -0.63 0.00 0.00 0.00 175.10 174.97 3i6e s ILE 352 N -0.48 5.19 -0.23 2.22 -1.09 -0.38 -0.99 121.20 125.45 3i6e s ILE 352 Ca 0.54 0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 59.18 3i6e s ILE 352 Cb -0.40 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 3i6e s ILE 352 CO 0.46 0.16 1.50 -0.69 -1.23 0.00 0.00 174.94 175.14 3i6e s VAL 353 N 2.04 3.86 0.55 2.92 1.01 -0.37 -4.82 120.40 125.59 3i6e s VAL 353 Ca 0.14 0.98 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 3i6e s VAL 353 Cb -0.16 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3i6e s VAL 353 CO 0.10 -0.33 1.34 -2.84 0.00 0.00 0.00 175.10 173.38 3i6e s PRO 354 N 4.41 3.15 0.00 2.72 0.02 -1.26 -4.95 135.00 139.09 3i6e s PRO 354 Ca 0.66 2.20 0.03 0.00 0.02 0.00 0.00 61.00 63.91 3i6e s PRO 354 Cb -0.23 -2.25 0.01 0.00 0.02 0.00 0.00 34.50 32.05 3i6e s PRO 354 CO 0.26 -1.17 0.43 -0.25 -0.33 0.00 0.00 177.00 175.95 3i6e n ASP 355 N -1.04 0.87 -4.21 2.53 8.00 -1.26 -4.94 116.55 116.51 3i6e n ASP 355 Ca 0.10 -0.94 -0.30 0.00 0.71 0.00 0.00 54.79 54.37 3i6e n ASP 355 Cb 0.45 0.33 0.19 0.00 -0.02 0.00 0.00 41.12 42.07 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 -0.57 1.65 0.64 0.44 0.00 -1.26 -4.53 107.32 103.68 3i6e s GLY 356 Ca 0.03 -0.93 -0.17 0.00 0.00 0.00 0.00 44.72 43.65 3i6e s GLY 356 CO 0.06 -0.18 1.18 -4.14 0.00 0.00 0.00 173.10 170.03 3i6e s PRO 357 N -5.55 2.77 4.85 2.90 0.02 -1.26 -3.33 135.00 135.39 3i6e s PRO 357 Ca 0.70 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3i6e s PRO 357 Cb -0.09 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3i6e s PRO 357 CO 0.54 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 3i6e n GLY 358 N 0.25 1.84 0.18 0.52 0.00 -0.00 -2.43 105.19 105.55 3i6e n GLY 358 Ca 0.13 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.85 -1.48 115.31 116.35 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 0.13 0.82 3.62 0.83 0.00 -1.02 -4.82 105.19 104.74 3i6e n GLY 360 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.08 -2.04 0.16 4.61 0.00 -1.26 -4.88 121.76 116.27 3i6e s ALA 361 Ca 0.00 1.74 0.06 0.00 0.00 0.00 0.00 51.96 53.76 3i6e s ALA 361 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 3i6e s ALA 361 CO 0.00 -0.25 0.07 1.03 0.00 0.00 0.00 175.76 176.61 3i6e s ARG 362 N -0.75 2.66 0.26 0.00 0.52 -1.26 -5.01 118.95 115.36 3i6e s ARG 362 Ca 0.04 -0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 3i6e s ARG 362 Cb -0.02 -2.51 -0.09 0.00 0.52 0.00 0.00 34.95 32.84 3i6e s ARG 362 CO -0.05 0.48 1.01 0.00 0.02 0.00 0.00 175.30 176.76 3i6e s ALA 363 N -1.70 3.36 -0.53 2.13 0.00 -1.26 -1.41 121.76 122.35 3i6e s ALA 363 Ca 0.29 0.74 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 3i6e s ALA 363 Cb -0.10 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3i6e s ALA 363 CO 0.21 0.04 1.26 0.34 0.00 0.00 0.00 175.76 177.61 3i6e s ASP 364 N -1.06 6.40 0.47 0.00 -1.08 0.90 -4.73 116.67 117.56 3i6e s ASP 364 Ca 0.43 0.31 0.27 0.00 -0.52 0.00 0.00 52.55 53.04 3i6e s ASP 364 Cb -0.28 -2.55 1.31 0.00 -1.46 0.00 0.00 42.92 39.94 3i6e s ASP 364 CO 0.36 -1.48 1.79 -0.65 0.52 0.00 0.00 175.17 175.71 3i6e h PRO 365 N 9.96 0.20 -0.07 4.34 0.11 -1.93 0.14 132.00 144.74 3i6e h PRO 365 Ca -0.25 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.65 3i6e h PRO 365 Cb 1.07 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3i6e h PRO 365 CO 1.16 0.13 -0.78 0.93 -0.21 0.00 0.00 178.00 179.23 3i6e h GLU 366 N 0.20 0.45 -0.18 1.05 5.08 -1.96 -2.74 114.58 116.49 3i6e h GLU 366 Ca 0.58 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 3i6e h GLU 366 Cb 1.84 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 3i6e h GLU 366 CO -0.17 1.03 -0.35 0.87 -1.00 0.00 0.00 179.01 179.39 3i6e h LYS 367 N 0.30 0.37 0.22 2.33 1.57 -1.09 -1.53 116.57 118.73 3i6e h LYS 367 Ca -0.04 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3i6e h LYS 367 Cb 1.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3i6e h LYS 367 CO 0.14 0.68 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.52 3i6e h LEU 368 N 0.32 -0.25 -1.05 2.94 3.38 -1.28 -1.73 115.31 117.64 3i6e h LEU 368 Ca 0.04 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3i6e h LEU 368 Cb 0.77 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 3i6e h LEU 368 CO 0.06 0.00 0.61 -0.33 0.09 0.00 0.00 178.44 178.87 3i6e h GLU 369 N -0.50 1.24 -0.74 1.13 3.07 -1.42 0.60 114.58 117.95 3i6e h GLU 369 Ca -0.03 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 58.69 3i6e h GLU 369 Cb 0.38 -0.28 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3i6e h GLU 369 CO 0.05 0.83 0.27 1.25 -1.40 0.00 0.00 179.01 180.01 3i6e h HIS 370 N 1.28 1.16 -0.01 4.33 2.76 -1.15 -3.14 115.15 120.38 3i6e h HIS 370 Ca 0.34 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3i6e h HIS 370 Cb -0.13 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.49 3i6e h HIS 370 CO 0.00 0.90 -0.43 0.66 -1.30 0.00 0.00 177.93 177.77 3i6e n TYR 371 N -4.30 0.00 -1.92 5.26 4.01 -0.66 -4.98 117.16 114.58 3i6e n TYR 371 Ca 0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.38 3i6e n TYR 371 Cb 0.20 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.48 3.72 -0.53 -0.72 0.00 0.18 -1.95 121.76 119.99 3i6e s ALA 372 Ca 0.20 1.41 0.15 0.00 0.00 0.00 0.00 51.96 53.72 3i6e s ALA 372 Cb 0.18 -3.61 -0.19 0.00 0.00 0.00 0.00 23.12 19.51 3i6e s ALA 372 CO 0.56 -0.82 0.56 1.33 0.00 0.00 0.00 175.76 177.39 3i6e n VAL 373 N 2.91 0.00 -3.58 0.00 0.24 0.14 -4.92 118.33 113.11 3i6e n VAL 373 Ca 0.10 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 3i6e n VAL 373 Cb 0.39 0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 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 -2.60 0.71 0.00 7.34 3.52 -1.15 -5.00 118.95 121.77 3i6e s ARG 374 Ca 0.03 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 3i6e s ARG 374 Cb 0.11 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 3i6e s ARG 374 CO 0.63 -0.18 0.00 2.89 -0.81 0.00 0.00 175.30 177.83