#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6e n GLU 7 N 0.00 0.12 -1.67 3.23 -0.58 -1.26 -0.70 120.64 119.78 3i6e n GLU 7 Ca 0.00 0.10 -0.40 0.00 -0.42 0.00 0.00 57.16 56.44 3i6e n GLU 7 Cb 0.00 -1.64 0.03 0.00 -0.57 0.00 0.00 31.44 29.26 3i6e n GLU 7 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3i6e n GLN 8 N -1.84 1.50 -3.84 3.49 6.02 -1.26 -4.68 117.38 116.76 3i6e n GLN 8 Ca 0.06 0.55 -0.28 0.00 -0.01 0.00 0.00 57.00 57.32 3i6e n GLN 8 Cb 0.38 -2.31 -0.03 0.00 1.02 0.00 0.00 30.24 29.30 3i6e n GLN 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3i6e s LYS 9 N -2.47 3.48 -0.28 -1.09 1.02 -1.26 -1.08 119.74 118.05 3i6e s LYS 9 Ca 0.68 -0.45 -0.24 0.00 0.02 0.00 0.00 55.97 55.97 3i6e s LYS 9 Cb -0.47 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 3i6e s LYS 9 CO 0.53 0.49 0.83 0.42 -0.92 0.00 0.00 175.35 176.70 3i6e s ILE 10 N -1.74 4.78 -0.12 2.17 1.01 -0.22 -0.67 121.20 126.41 3i6e s ILE 10 Ca 0.36 1.38 0.22 0.00 0.00 0.00 0.00 60.65 62.62 3i6e s ILE 10 Cb -0.11 -4.16 -0.20 0.00 0.01 0.00 0.00 42.46 37.99 3i6e s ILE 10 CO 0.28 -0.21 0.71 2.30 0.00 0.00 0.00 174.94 178.02 3i6e n ILE 11 N 5.47 0.24 -3.72 2.92 -5.35 0.40 -0.64 119.36 118.67 3i6e n ILE 11 Ca 0.05 -0.51 -0.13 0.00 -0.27 0.00 0.00 62.75 61.89 3i6e n ILE 11 Cb 0.48 -0.12 -0.08 0.00 -1.74 0.00 0.00 39.64 38.18 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 -3.45 -0.88 -0.09 -1.28 0.00 -1.13 -4.93 121.76 110.00 3i6e s ALA 12 Ca -0.05 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 3i6e s ALA 12 Cb 0.12 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.44 3i6e s ALA 12 CO 0.86 -0.34 -0.04 1.41 0.00 0.00 0.00 175.76 177.66 3i6e s MET 13 N -1.78 1.08 -0.03 0.00 1.75 -1.26 -1.74 119.30 117.32 3i6e s MET 13 Ca -0.10 -0.09 0.07 0.00 -1.25 0.00 0.00 55.69 54.32 3i6e s MET 13 Cb -0.03 -1.26 -0.02 0.00 2.84 0.00 0.00 34.83 36.36 3i6e s MET 13 CO 0.02 -0.26 -0.25 -0.51 -0.65 0.00 0.00 175.02 173.37 3i6e s ASP 14 N 1.74 2.97 0.12 1.11 1.01 -0.02 -4.97 116.67 118.63 3i6e s ASP 14 Ca 0.03 -0.47 0.07 0.00 0.71 0.00 0.00 52.55 52.89 3i6e s ASP 14 Cb -0.13 -0.51 -0.04 0.00 1.01 0.00 0.00 42.92 43.26 3i6e s ASP 14 CO -0.06 0.28 -0.17 -0.76 0.21 0.00 0.00 175.17 174.68 3i6e s LEU 15 N -0.43 2.37 -0.08 1.23 1.43 -1.26 -0.65 118.68 121.29 3i6e s LEU 15 Ca 0.05 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3i6e s LEU 15 Cb -0.11 -0.69 0.04 0.00 0.03 0.00 0.00 46.19 45.46 3i6e s LEU 15 CO 0.01 -0.06 0.16 0.26 0.23 0.00 0.00 176.35 176.95 3i6e s TRP 16 N -1.77 -0.18 -0.35 0.29 0.51 -0.44 -4.40 118.94 112.59 3i6e s TRP 16 Ca 0.09 0.57 -0.16 0.00 -2.12 0.00 0.00 56.10 54.48 3i6e s TRP 16 Cb -0.07 -0.18 -0.01 0.00 -0.81 0.00 0.00 33.47 32.40 3i6e s TRP 16 CO 0.04 -0.23 0.39 -1.58 -0.51 0.00 0.00 176.95 175.06 3i6e s HIS 17 N 1.82 3.20 0.12 -1.98 5.65 0.99 -0.49 115.29 124.60 3i6e s HIS 17 Ca -0.02 -0.02 0.05 0.00 0.25 0.00 0.00 55.06 55.32 3i6e s HIS 17 Cb -0.12 -2.71 -0.04 0.00 -1.18 0.00 0.00 32.58 28.53 3i6e s HIS 17 CO -0.06 -0.46 0.02 -0.51 -0.65 0.00 0.00 174.74 173.08 3i6e s LEU 18 N 2.07 3.49 -0.31 8.88 1.43 0.78 0.02 118.68 135.04 3i6e s LEU 18 Ca 0.13 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3i6e s LEU 18 Cb -0.16 -2.19 0.09 0.00 0.03 0.00 0.00 46.19 43.96 3i6e s LEU 18 CO 0.12 0.14 0.03 0.00 0.23 0.00 0.00 176.35 176.88 3i6e s ALA 19 N -1.45 2.38 -0.26 4.21 0.00 -0.68 -2.02 121.76 123.94 3i6e s ALA 19 Ca 0.27 -2.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.03 3i6e s ALA 19 Cb -0.11 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3i6e s ALA 19 CO 0.19 -1.57 0.28 -0.51 0.00 0.00 0.00 175.76 174.15 3i6e s LEU 20 N 1.18 4.05 0.55 0.00 1.43 0.72 -4.85 118.68 121.76 3i6e s LEU 20 Ca 0.07 0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.14 3i6e s LEU 20 Cb -0.19 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 3i6e s LEU 20 CO -0.12 -0.09 1.29 -2.84 0.23 0.00 0.00 176.35 174.82 3i6e s PRO 21 N 1.74 3.14 0.07 1.29 0.02 -1.26 -0.81 135.00 139.19 3i6e s PRO 21 Ca 0.11 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3i6e s PRO 21 Cb -0.15 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.20 3i6e s PRO 21 CO 0.09 -1.13 0.00 1.33 -0.33 0.00 0.00 177.00 176.96 3i6e n VAL 22 N -1.16 0.49 0.00 3.83 0.24 -1.26 -1.41 118.33 119.07 3i6e n VAL 22 Ca 0.11 0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 3i6e n VAL 22 Cb 0.47 -1.09 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 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 -1.73 3.94 0.14 0.00 2.02 -1.26 -0.20 118.70 121.61 3i6e s GLU 38 Ca 0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 54.97 54.85 3i6e s GLU 38 Cb 0.00 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 3i6e s GLU 38 CO 0.00 0.47 0.06 0.96 0.02 0.00 0.00 175.26 176.77 3i6e s ILE 39 N -0.14 0.12 -0.15 -1.63 -4.36 -0.86 -4.44 121.20 109.74 3i6e s ILE 39 Ca 0.12 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 3i6e s ILE 39 Cb -0.12 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.52 3i6e s ILE 39 CO 0.01 -0.43 -0.20 -0.69 0.24 0.00 0.00 174.94 173.88 3i6e s VAL 40 N -4.04 1.95 -0.09 8.37 1.01 0.12 -0.16 120.40 127.55 3i6e s VAL 40 Ca 0.25 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3i6e s VAL 40 Cb 0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3i6e s VAL 40 CO 0.03 0.53 0.06 -0.69 0.00 0.00 0.00 175.10 175.02 3i6e s VAL 41 N 1.04 4.78 0.00 2.92 1.01 0.36 -0.50 120.40 130.01 3i6e s VAL 41 Ca -0.02 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 61.95 3i6e s VAL 41 Cb -0.14 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 3i6e s VAL 41 CO -0.06 0.60 -0.24 -0.22 0.00 0.00 0.00 175.10 175.17 3i6e s LEU 42 N -0.99 2.09 -0.05 3.92 2.96 0.10 -1.33 118.68 125.37 3i6e s LEU 42 Ca 0.15 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3i6e s LEU 42 Cb -0.12 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.36 3i6e s LEU 42 CO 0.04 0.28 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.67 3i6e s ARG 43 N -0.79 1.18 -0.06 1.98 3.52 0.17 -1.48 118.95 123.46 3i6e s ARG 43 Ca 0.10 -0.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.51 3i6e s ARG 43 Cb -0.09 -1.08 -0.02 0.00 -1.56 0.00 0.00 34.95 32.20 3i6e s ARG 43 CO 0.00 -0.04 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.76 3i6e s LEU 44 N 0.84 2.50 -0.12 -0.88 1.43 0.24 -0.84 118.68 121.85 3i6e s LEU 44 Ca -0.12 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3i6e s LEU 44 Cb -0.15 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 3i6e s LEU 44 CO 0.01 0.28 -0.18 -0.69 0.23 0.00 0.00 176.35 176.01 3i6e s VAL 45 N -0.37 2.61 0.30 -1.59 1.01 -0.71 -0.68 120.40 120.97 3i6e s VAL 45 Ca 0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 3i6e s VAL 45 Cb -0.12 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 3i6e s VAL 45 CO 0.02 0.54 0.61 0.00 0.00 0.00 0.00 175.10 176.27 3i6e s ALA 46 N 0.33 3.53 0.54 5.51 0.00 0.08 -0.46 121.76 131.29 3i6e s ALA 46 Ca -0.14 -0.37 0.23 0.00 0.00 0.00 0.00 51.96 51.68 3i6e s ALA 46 Cb -0.17 -2.45 1.40 0.00 0.00 0.00 0.00 23.12 21.90 3i6e s ALA 46 CO 0.07 0.27 2.05 1.05 0.00 0.00 0.00 175.76 179.20 3i6e h GLU 47 N 1.86 0.00 0.00 0.00 4.11 -1.22 0.60 114.58 119.93 3i6e h GLU 47 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3i6e h GLU 47 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3i6e h GLU 47 CO 0.66 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.15 3i6e n GLY 48 N -1.59 -0.99 0.00 1.06 0.00 -1.26 -4.88 105.19 97.53 3i6e n GLY 48 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i6e n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 49 N 0.25 3.06 3.73 -0.02 0.00 0.21 -5.08 105.19 107.35 3i6e n GLY 49 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.77 2.30 0.04 4.61 0.00 -1.25 -4.66 121.76 120.02 3i6e s ALA 50 Ca 0.00 0.97 0.07 0.00 0.00 0.00 0.00 51.96 53.00 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 -1.61 -0.21 -1.21 0.00 0.00 0.00 175.76 172.73 3i6e s GLU 51 N -3.66 1.44 -0.03 0.00 2.02 -1.26 -0.74 118.70 116.47 3i6e s GLU 51 Ca 0.77 -0.94 0.04 0.00 0.02 0.00 0.00 54.97 54.86 3i6e s GLU 51 Cb -0.31 -1.55 -0.01 0.00 0.10 0.00 0.00 34.13 32.37 3i6e s GLU 51 CO 0.41 0.40 -0.15 0.20 0.02 0.00 0.00 175.26 176.14 3i6e s GLY 52 N -1.12 0.78 0.10 -1.39 0.00 0.14 -4.40 107.32 101.43 3i6e s GLY 52 Ca 0.08 -0.61 0.09 0.00 0.00 0.00 0.00 44.72 44.27 3i6e s GLY 52 CO 0.02 -0.39 -0.18 -1.36 0.00 0.00 0.00 173.10 171.19 3i6e s PHE 53 N -0.10 2.54 -0.00 1.90 0.08 -1.26 -0.59 117.98 120.55 3i6e s PHE 53 Ca 0.00 -0.26 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 3i6e s PHE 53 Cb -0.09 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 3i6e s PHE 53 CO 0.01 0.36 0.24 0.20 -0.10 0.00 0.00 175.22 175.92 3i6e s GLY 54 N -1.99 -0.06 -0.00 4.36 0.00 -0.55 -2.95 107.32 106.12 3i6e s GLY 54 Ca 0.17 0.09 0.08 0.00 0.00 0.00 0.00 44.72 45.06 3i6e s GLY 54 CO 0.09 -0.09 -0.24 1.85 0.00 0.00 0.00 173.10 174.71 3i6e s GLU 55 N -1.51 1.85 -0.18 2.90 2.12 -1.26 -0.72 118.70 121.89 3i6e s GLU 55 Ca -0.13 -0.90 -0.00 0.00 0.36 0.00 0.00 54.97 54.30 3i6e s GLU 55 Cb -0.06 -1.84 0.01 0.00 0.26 0.00 0.00 34.13 32.50 3i6e s GLU 55 CO 0.02 0.50 -0.15 0.00 -0.54 0.00 0.00 175.26 175.09 3i6e s ALA 56 N -0.62 2.47 -0.73 6.30 0.00 0.34 -3.74 121.76 125.78 3i6e s ALA 56 Ca 0.09 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.92 3i6e s ALA 56 Cb -0.09 -1.31 0.19 0.00 0.00 0.00 0.00 23.12 21.91 3i6e s ALA 56 CO -0.00 -0.30 0.58 0.43 0.00 0.00 0.00 175.76 176.46 3i6e n SER 57 N 4.55 3.31 -4.77 0.00 7.64 -1.26 -0.71 113.62 122.39 3i6e n SER 57 Ca -0.20 -3.24 -0.38 0.00 1.01 0.00 0.00 58.87 56.06 3i6e n SER 57 Cb 0.51 -0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 3i6e n SER 57 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3i6e s PRO 58 N -1.61 4.22 -0.32 1.43 0.02 -1.26 -4.57 135.00 132.91 3i6e s PRO 58 Ca 0.27 1.79 0.03 0.00 0.02 0.00 0.00 61.00 63.11 3i6e s PRO 58 Cb -0.02 -2.79 0.08 0.00 0.02 0.00 0.00 34.50 31.80 3i6e s PRO 58 CO -0.14 -0.16 0.01 -0.46 -0.33 0.00 0.00 177.00 175.91 3i6e s TRP 59 N -1.39 3.56 0.25 6.54 -0.00 -1.13 -4.79 118.94 121.98 3i6e s TRP 59 Ca 0.54 -2.66 -0.05 0.00 -0.00 0.00 0.00 56.10 53.94 3i6e s TRP 59 Cb -0.30 -2.57 0.47 0.00 -0.00 0.00 0.00 33.47 31.07 3i6e s TRP 59 CO 0.38 -0.92 1.36 0.00 -0.00 0.00 0.00 176.95 177.77 3i6e n ALA 60 N 4.36 0.27 0.70 5.86 0.00 -0.97 -0.27 120.51 130.47 3i6e n ALA 60 Ca -0.04 0.95 0.13 0.00 0.00 0.00 0.00 53.44 54.49 3i6e n ALA 60 Cb 0.42 -0.60 0.45 0.00 0.00 0.00 0.00 19.45 19.71 3i6e n ALA 60 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i6e n VAL 61 N -5.38 0.47 -0.00 0.00 0.24 -1.26 -3.99 118.33 108.42 3i6e n VAL 61 Ca 0.16 -0.23 -0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3i6e n VAL 61 Cb 0.50 -0.56 -0.00 0.00 -1.47 0.00 0.00 33.84 32.30 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 -2.11 0.00 0.04 6.34 3.72 0.63 -4.90 117.46 121.18 3i6e n PHE 62 Ca 0.06 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.42 3i6e n PHE 62 Cb 0.41 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.85 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 -0.02 0.94 0.00 4.37 1.35 -1.46 -3.49 112.91 114.60 3i6e h THR 63 Ca 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 3i6e h THR 63 Cb 0.02 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3i6e h THR 63 CO 0.00 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3i6e n GLY 64 N 1.42 1.37 3.93 5.82 0.00 -1.00 -4.54 105.19 112.19 3i6e n GLY 64 Ca -0.08 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.18 5.07 0.38 2.61 -4.23 -1.26 -2.29 115.64 114.75 3i6e s THR 65 Ca 0.00 -0.34 0.11 0.00 -1.18 0.00 0.00 61.69 60.28 3i6e s THR 65 Cb 0.00 -3.85 0.13 0.00 1.34 0.00 0.00 72.50 70.12 3i6e s THR 65 CO 0.00 -0.58 1.88 1.55 -0.54 0.00 0.00 174.62 176.93 3i6e h PRO 66 N 0.75 0.12 -0.62 3.99 0.13 -1.93 -2.14 132.00 132.30 3i6e h PRO 66 Ca -0.49 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 3i6e h PRO 66 Cb 1.21 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3i6e h PRO 66 CO 0.62 0.37 0.27 0.93 -0.23 0.00 0.00 178.00 179.95 3i6e h GLU 67 N 0.11 0.92 -0.34 0.86 3.07 -1.99 0.49 114.58 117.70 3i6e h GLU 67 Ca 0.02 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 58.67 3i6e h GLU 67 Cb 0.50 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3i6e h GLU 67 CO 0.03 0.76 0.00 0.00 -1.40 0.00 0.00 179.01 178.41 3i6e h ALA 68 N 1.11 0.46 -0.17 3.43 0.00 -1.83 -1.95 119.26 120.30 3i6e h ALA 68 Ca 0.21 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3i6e h ALA 68 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i6e h ALA 68 CO -0.02 0.21 -0.35 0.77 0.00 0.00 0.00 179.25 179.86 3i6e h SER 69 N 0.41 0.36 -0.22 0.00 0.02 -1.25 -0.78 113.55 112.09 3i6e h SER 69 Ca 0.10 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3i6e h SER 69 Cb 0.44 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3i6e h SER 69 CO 0.02 0.69 0.05 0.22 -1.14 0.00 0.00 176.83 176.67 3i6e h TYR 70 N 0.30 0.36 -0.57 3.45 3.20 -0.78 -2.49 116.97 120.45 3i6e h TYR 70 Ca 0.03 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3i6e h TYR 70 Cb 0.76 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 3i6e h TYR 70 CO 0.02 0.46 0.02 0.00 -1.64 0.00 0.00 178.16 177.02 3i6e h ALA 71 N 0.87 0.96 -0.72 1.82 0.00 -1.21 0.71 119.26 121.69 3i6e h ALA 71 Ca 0.07 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.75 3i6e h ALA 71 Cb 0.27 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3i6e h ALA 71 CO 0.00 0.63 0.41 0.00 0.00 0.00 0.00 179.25 180.30 3i6e h ALA 72 N 1.12 0.97 0.01 0.00 0.00 -1.00 0.09 119.26 120.45 3i6e h ALA 72 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i6e h ALA 72 Cb 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i6e h ALA 72 CO 0.02 0.10 -0.00 -0.07 0.00 0.00 0.00 179.25 179.30 3i6e h LEU 73 N 0.76 -0.01 -0.98 0.00 3.38 -1.24 0.16 115.31 117.38 3i6e h LEU 73 Ca 0.32 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 3i6e h LEU 73 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3i6e h LEU 73 CO -0.18 0.80 0.46 -0.78 0.09 0.00 0.00 178.44 178.83 3i6e h ASP 74 N -0.84 1.06 0.00 -0.43 3.58 -0.72 -1.48 116.42 117.58 3i6e h ASP 74 Ca -0.00 -0.09 -0.21 0.00 0.42 0.00 0.00 57.03 57.14 3i6e h ASP 74 Cb 0.80 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 3i6e h ASP 74 CO 0.00 0.85 -1.79 -1.14 -2.88 0.00 0.00 179.24 174.28 3i6e n ARG 75 N -4.34 0.34 -0.01 0.28 0.63 0.01 -4.53 116.66 109.04 3i6e n ARG 75 Ca 0.09 0.09 -0.17 0.00 -0.92 0.00 0.00 57.85 56.94 3i6e n ARG 75 Cb 0.10 -1.25 -0.14 0.00 0.45 0.00 0.00 32.46 31.62 3i6e n ARG 75 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i6e n TYR 76 N -2.98 1.09 0.04 -0.14 4.01 -1.07 -4.43 117.16 113.68 3i6e n TYR 76 Ca -0.25 0.28 0.07 0.00 -0.16 0.00 0.00 57.90 57.84 3i6e n TYR 76 Cb 0.76 -1.16 -0.08 0.00 -0.31 0.00 0.00 39.34 38.55 3i6e n TYR 76 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3i6e n LEU 77 N -3.31 0.58 0.06 7.72 4.77 0.52 -4.38 117.00 122.96 3i6e n LEU 77 Ca -0.27 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 3i6e n LEU 77 Cb 1.05 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 42.13 3i6e n LEU 77 CO 0.43 0.00 0.71 -0.09 -1.33 0.00 0.00 177.39 177.11 3i6e h ARG 78 N 0.00 -0.34 0.00 3.23 2.43 -1.48 -1.23 114.38 116.99 3i6e h ARG 78 Ca -0.09 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3i6e h ARG 78 Cb 1.26 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3i6e h ARG 78 CO 0.02 -0.23 0.00 -1.00 -1.51 0.00 0.00 179.97 177.25 3i6e h PRO 79 N -0.35 0.00 0.00 0.20 0.13 -1.79 -1.55 132.00 128.64 3i6e h PRO 79 Ca 0.06 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.97 3i6e h PRO 79 Cb 0.44 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.53 3i6e h PRO 79 CO -0.21 0.00 -1.27 1.25 -0.23 0.00 0.00 178.00 177.54 3i6e h LEU 80 N 0.00 0.00 0.05 1.56 5.85 -1.53 -3.39 115.31 117.85 3i6e h LEU 80 Ca 0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 3i6e h LEU 80 Cb 0.22 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3i6e h LEU 80 CO 0.00 0.88 -1.87 0.52 -0.34 0.00 0.00 178.44 177.63 3i6e n VAL 81 N -3.15 1.63 -1.68 1.05 0.31 -0.55 -4.74 118.33 111.20 3i6e n VAL 81 Ca -0.08 -0.40 -0.45 0.00 -0.01 0.00 0.00 64.34 63.41 3i6e n VAL 81 Cb 0.94 -1.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.02 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 -3.88 0.36 -0.17 2.52 2.08 -0.63 -1.45 119.36 118.19 3i6e n ILE 82 Ca -0.37 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 62.88 3i6e n ILE 82 Cb 0.90 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.84 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 4.11 0.68 3.90 7.39 0.00 0.18 -4.94 105.19 116.51 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 -0.74 3.65 0.20 1.61 1.81 -0.53 -4.73 118.95 120.22 3i6e s ARG 84 Ca 0.00 0.05 -0.28 0.00 -1.72 0.00 0.00 55.73 53.78 3i6e s ARG 84 Cb 0.00 -2.62 -0.08 0.00 -0.45 0.00 0.00 34.95 31.79 3i6e s ARG 84 CO 0.00 0.19 0.87 1.03 -0.68 0.00 0.00 175.30 176.71 3i6e s ARG 85 N -3.57 4.72 0.27 3.54 0.52 -1.26 -1.06 118.95 122.11 3i6e s ARG 85 Ca 0.45 1.34 -0.01 0.00 -0.52 0.00 0.00 55.73 56.99 3i6e s ARG 85 Cb -0.11 -3.27 0.51 0.00 0.52 0.00 0.00 34.95 32.60 3i6e s ARG 85 CO 0.30 0.53 1.81 0.28 0.02 0.00 0.00 175.30 178.24 3i6e h VAL 86 N 3.26 0.87 0.00 3.52 2.07 -1.03 -0.86 116.25 124.08 3i6e h VAL 86 Ca -0.46 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3i6e h VAL 86 Cb 1.20 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3i6e h VAL 86 CO 0.67 0.16 0.00 0.61 0.02 0.00 0.00 177.57 179.03 3i6e n GLY 87 N -1.33 -0.69 1.88 2.17 0.00 0.12 -2.80 105.19 104.54 3i6e n GLY 87 Ca 0.17 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.32 4.04 -0.21 1.61 8.00 -0.33 -4.69 116.55 123.65 3i6e n ASP 88 Ca 0.05 -3.12 -0.01 0.00 0.71 0.00 0.00 54.79 52.41 3i6e n ASP 88 Cb 0.09 -0.73 0.05 0.00 -0.02 0.00 0.00 41.12 40.51 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 1.64 -0.03 -0.58 -1.24 2.43 -1.71 0.11 114.38 115.01 3i6e h ARG 89 Ca 0.34 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.61 3i6e h ARG 89 Cb 2.25 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 31.74 3i6e h ARG 89 CO 0.73 -0.02 0.18 0.28 -1.51 0.00 0.00 179.97 179.63 3i6e h VAL 90 N -0.03 0.73 -0.30 0.20 2.07 -1.91 0.19 116.25 117.20 3i6e h VAL 90 Ca 0.29 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.59 3i6e h VAL 90 Cb 0.49 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3i6e h VAL 90 CO -0.66 0.06 -0.25 0.00 0.02 0.00 0.00 177.57 176.75 3i6e h ALA 91 N 1.42 0.43 0.02 1.67 0.00 -1.69 -1.01 119.26 120.09 3i6e h ALA 91 Ca 0.29 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i6e h ALA 91 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3i6e h ALA 91 CO -0.33 0.41 -0.11 0.82 0.00 0.00 0.00 179.25 180.04 3i6e h ILE 92 N 0.43 0.73 -0.06 0.00 2.04 -0.22 -0.98 117.51 119.47 3i6e h ILE 92 Ca 0.05 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 3i6e h ILE 92 Cb 0.80 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3i6e h ILE 92 CO 0.06 0.00 -0.34 0.24 0.00 0.00 0.00 178.15 178.12 3i6e h MET 93 N -0.19 0.10 -0.55 2.37 2.86 -0.66 0.28 114.93 119.15 3i6e h MET 93 Ca 0.03 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 3i6e h MET 93 Cb 0.23 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3i6e h MET 93 CO -0.10 0.43 -0.12 0.22 1.06 0.00 0.00 176.91 178.41 3i6e h ASP 94 N 0.09 1.05 0.02 1.22 3.58 -0.80 -2.54 116.42 119.05 3i6e h ASP 94 Ca 0.01 -0.35 -0.23 0.00 0.42 0.00 0.00 57.03 56.88 3i6e h ASP 94 Cb 0.64 -0.29 0.01 0.00 1.72 0.00 0.00 39.33 41.42 3i6e h ASP 94 CO 0.05 1.16 -0.87 -0.33 -2.88 0.00 0.00 179.24 176.36 3i6e h GLU 95 N 0.92 0.66 -0.97 0.28 5.08 -0.77 -3.27 114.58 116.51 3i6e h GLU 95 Ca 0.14 -0.61 0.06 0.00 -1.00 0.00 0.00 59.36 57.95 3i6e h GLU 95 Cb 0.69 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 3i6e h GLU 95 CO 0.05 1.22 0.63 0.00 -1.00 0.00 0.00 179.01 179.91 3i6e h ALA 96 N 0.59 1.42 -0.71 3.43 0.00 -0.33 -0.65 119.26 123.01 3i6e h ALA 96 Ca -0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i6e h ALA 96 Cb 1.50 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3i6e h ALA 96 CO 0.17 0.45 0.47 0.00 0.00 0.00 0.00 179.25 180.33 3i6e h ALA 97 N 1.46 1.59 0.00 0.00 0.00 -1.51 -2.52 119.26 118.28 3i6e h ALA 97 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3i6e h ALA 97 Cb 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3i6e h ALA 97 CO -0.15 0.35 -0.80 0.00 0.00 0.00 0.00 179.25 178.64 3i6e h ARG 98 N 0.86 0.00 0.00 0.00 3.08 -1.47 -3.38 114.38 113.48 3i6e h ARG 98 Ca 0.28 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 3i6e h ARG 98 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3i6e h ARG 98 CO -0.08 0.00 -0.31 0.00 -1.07 0.00 0.00 179.97 178.51 3i6e h ALA 99 N 2.15 1.29 -2.64 0.04 0.00 -0.68 -3.44 119.26 115.98 3i6e h ALA 99 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3i6e h ALA 99 Cb 0.92 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.43 3i6e h ALA 99 CO 0.00 0.39 -0.21 0.54 0.00 0.00 0.00 179.25 179.96 3i6e s VAL 100 N -4.08 0.01 0.36 0.00 0.11 -1.24 -4.93 120.40 110.62 3i6e s VAL 100 Ca -0.02 -0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 58.67 3i6e s VAL 100 Cb 0.13 -0.61 -0.09 0.00 -1.53 0.00 0.00 36.38 34.28 3i6e s VAL 100 CO 0.68 -0.06 1.06 0.00 -3.33 0.00 0.00 175.10 173.46 3i6e s ALA 101 N -0.19 3.19 0.00 1.54 0.00 -1.26 -4.85 121.76 120.19 3i6e s ALA 101 Ca -0.04 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3i6e s ALA 101 Cb -0.03 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3i6e s ALA 101 CO 0.02 -0.18 0.00 0.72 0.00 0.00 0.00 175.76 176.32 3i6e n HIS 102 N 0.35 0.00 -3.86 0.00 8.25 -1.26 -4.88 115.22 113.81 3i6e n HIS 102 Ca 0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.22 3i6e n HIS 102 Cb 0.48 0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.65 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 -1.92 0.09 -0.21 0.00 1.35 -1.86 -1.38 112.91 108.98 3i6e h THR 104 Ca -0.60 -0.18 -0.06 0.00 -0.55 0.00 0.00 66.41 65.01 3i6e h THR 104 Cb 1.37 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 3i6e h THR 104 CO 0.63 0.01 -0.12 -0.33 -0.25 0.00 0.00 175.52 175.47 3i6e h GLU 105 N 0.00 0.45 -0.54 4.72 3.07 -1.85 -0.90 114.58 119.52 3i6e h GLU 105 Ca -0.00 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.60 3i6e h GLU 105 Cb 0.16 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3i6e h GLU 105 CO 0.00 0.74 0.09 0.00 -1.40 0.00 0.00 179.01 178.45 3i6e h ALA 106 N 0.70 1.14 -0.40 3.43 0.00 -1.58 -1.05 119.26 121.50 3i6e h ALA 106 Ca 0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3i6e h ALA 106 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3i6e h ALA 106 CO 0.03 0.57 -0.13 0.87 0.00 0.00 0.00 179.25 180.60 3i6e h LYS 107 N 0.82 0.71 -0.31 0.00 1.57 -1.24 -0.62 116.57 117.50 3i6e h LYS 107 Ca 0.17 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 3i6e h LYS 107 Cb 0.36 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3i6e h LYS 107 CO 0.01 0.81 -0.45 0.00 -0.57 0.00 0.00 179.45 179.25 3i6e h ALA 108 N 1.21 0.63 -0.76 3.86 0.00 -0.80 -1.37 119.26 122.03 3i6e h ALA 108 Ca 0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3i6e h ALA 108 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3i6e h ALA 108 CO 0.04 0.67 0.34 0.00 0.00 0.00 0.00 179.25 180.31 3i6e h ALA 109 N 0.86 0.98 -0.49 0.00 0.00 -0.79 0.79 119.26 120.61 3i6e h ALA 109 Ca 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3i6e h ALA 109 Cb 1.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3i6e h ALA 109 CO 0.10 0.57 0.17 1.25 0.00 0.00 0.00 179.25 181.33 3i6e h LEU 110 N 1.08 0.70 -0.66 0.00 5.85 -0.95 -0.54 115.31 120.78 3i6e h LEU 110 Ca 0.26 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3i6e h LEU 110 Cb 0.15 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3i6e h LEU 110 CO -0.03 0.71 0.18 -0.78 -0.34 0.00 0.00 178.44 178.18 3i6e h ASP 111 N 0.65 0.99 -0.42 1.25 3.58 -0.84 -0.15 116.42 121.48 3i6e h ASP 111 Ca 0.16 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 3i6e h ASP 111 Cb 0.25 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3i6e h ASP 111 CO -0.01 0.95 0.16 0.28 -2.88 0.00 0.00 179.24 177.74 3i6e h SER 112 N 0.97 0.59 -0.63 2.28 0.02 -0.61 -0.91 113.55 115.26 3i6e h SER 112 Ca 0.21 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3i6e h SER 112 Cb 0.34 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3i6e h SER 112 CO -0.00 0.61 0.18 0.00 -1.14 0.00 0.00 176.83 176.47 3i6e h ALA 113 N 1.00 0.83 -0.61 3.77 0.00 -0.82 0.10 119.26 123.53 3i6e h ALA 113 Ca 0.14 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3i6e h ALA 113 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3i6e h ALA 113 CO -0.01 0.52 0.09 -0.07 0.00 0.00 0.00 179.25 179.77 3i6e h LEU 114 N 0.91 0.95 -0.23 0.00 3.38 -0.87 -0.61 115.31 118.85 3i6e h LEU 114 Ca 0.20 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3i6e h LEU 114 Cb 0.32 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i6e h LEU 114 CO -0.00 0.96 -0.43 -0.07 0.09 0.00 0.00 178.44 178.99 3i6e h LEU 115 N 0.94 0.78 -0.55 1.67 3.38 -0.87 -1.56 115.31 119.09 3i6e h LEU 115 Ca 0.19 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3i6e h LEU 115 Cb 0.43 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3i6e h LEU 115 CO 0.01 1.17 0.30 -0.78 0.09 0.00 0.00 178.44 179.23 3i6e h ASP 116 N 0.41 0.68 -0.01 -0.43 3.58 -0.69 -0.07 116.42 119.89 3i6e h ASP 116 Ca 0.01 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 3i6e h ASP 116 Cb 1.03 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 3i6e h ASP 116 CO 0.10 0.57 0.00 0.25 -2.88 0.00 0.00 179.24 177.28 3i6e h LEU 117 N 0.73 0.01 -1.49 2.28 5.85 -1.06 -0.54 115.31 121.10 3i6e h LEU 117 Ca 0.19 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3i6e h LEU 117 Cb 0.04 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3i6e h LEU 117 CO -0.03 0.11 0.04 0.00 -0.34 0.00 0.00 178.44 178.22 3i6e h ALA 118 N 0.90 1.59 -0.33 1.25 0.00 -1.10 -1.35 119.26 120.22 3i6e h ALA 118 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3i6e h ALA 118 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i6e h ALA 118 CO -0.00 0.31 -0.42 0.78 0.00 0.00 0.00 179.25 179.92 3i6e h GLY 119 N 0.62 0.88 0.86 0.00 0.00 -0.58 -1.53 103.07 103.32 3i6e h GLY 119 Ca 0.09 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 3i6e h GLY 119 CO 0.00 0.83 0.05 3.21 0.00 0.00 0.00 176.54 180.62 3i6e h ARG 120 N 0.66 0.36 0.05 4.80 2.47 -0.52 0.29 114.38 122.49 3i6e h ARG 120 Ca 0.05 -0.09 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3i6e h ARG 120 Cb 0.98 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 3i6e h ARG 120 CO 0.09 0.49 -0.07 0.82 0.56 0.00 0.00 179.97 181.86 3i6e h ILE 121 N 0.17 0.84 -0.01 2.04 1.08 -1.21 -2.87 117.51 117.55 3i6e h ILE 121 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3i6e h ILE 121 Cb 0.30 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 3i6e h ILE 121 CO 0.00 0.00 -0.11 -1.54 -0.69 0.00 0.00 178.15 175.81 3i6e n SER 122 N -5.18 0.64 -3.16 1.72 3.41 -0.58 -4.95 113.62 105.53 3i6e n SER 122 Ca -0.07 -0.77 -0.16 0.00 -0.26 0.00 0.00 58.87 57.62 3i6e n SER 122 Cb 0.11 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.78 -2.69 -4.14 4.04 5.15 0.73 -5.03 115.26 112.54 3i6e n ASN 123 Ca 0.15 -0.53 -0.16 0.00 -0.60 0.00 0.00 54.58 53.44 3i6e n ASN 123 Cb 0.28 -4.56 -0.11 0.00 -0.53 0.00 0.00 39.78 34.86 3i6e n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i6e s LEU 124 N -5.96 2.30 0.56 1.20 1.43 0.41 -4.83 118.68 113.79 3i6e s LEU 124 Ca 0.09 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 3i6e s LEU 124 Cb -0.04 -0.35 -0.06 0.00 0.03 0.00 0.00 46.19 45.78 3i6e s LEU 124 CO 0.64 -0.16 1.02 -2.16 0.23 0.00 0.00 176.35 175.92 3i6e s PRO 125 N -1.95 3.65 0.32 1.29 0.04 -1.22 -0.54 135.00 136.59 3i6e s PRO 125 Ca -0.03 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.08 3i6e s PRO 125 Cb -0.08 -2.09 0.69 0.00 0.04 0.00 0.00 34.50 33.06 3i6e s PRO 125 CO 0.01 -0.53 1.85 0.28 0.04 0.00 0.00 177.00 178.65 3i6e h VAL 126 N 0.55 0.87 -0.11 -0.36 2.07 -1.55 -0.67 116.25 117.04 3i6e h VAL 126 Ca -0.46 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 66.80 3i6e h VAL 126 Cb 1.20 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3i6e h VAL 126 CO 0.60 0.15 0.08 4.11 0.02 0.00 0.00 177.57 182.53 3i6e h TRP 127 N 0.84 0.00 0.00 1.57 5.08 -1.87 0.45 115.95 122.02 3i6e h TRP 127 Ca 0.48 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.42 3i6e h TRP 127 Cb 0.62 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.78 3i6e h TRP 127 CO -0.00 0.00 -0.14 0.00 -1.28 0.00 0.00 178.44 177.02 3i6e h ALA 128 N 1.94 1.22 -0.02 0.11 0.00 -1.39 -0.83 119.26 120.29 3i6e h ALA 128 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i6e h ALA 128 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i6e h ALA 128 CO -0.00 0.18 -0.00 1.28 0.00 0.00 0.00 179.25 180.70 3i6e n LEU 129 N -3.57 1.85 -0.50 0.00 4.32 0.13 -3.88 117.00 115.35 3i6e n LEU 129 Ca -0.01 -0.62 0.05 0.00 -0.02 0.00 0.00 56.01 55.41 3i6e n LEU 129 Cb 0.28 -0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.22 3i6e n LEU 129 CO 0.31 0.31 0.61 0.18 -1.22 0.00 0.00 177.39 177.57 3i6e n LEU 130 N 0.45 2.85 0.00 2.23 4.77 -0.51 -4.95 117.00 121.84 3i6e n LEU 130 Ca 0.18 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 53.90 3i6e n LEU 130 Cb 0.41 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3i6e n LEU 130 CO 0.16 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3i6e n GLY 131 N -0.03 0.98 0.00 -0.72 0.00 -1.16 -4.91 105.19 99.35 3i6e n GLY 131 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.55 -1.62 3.41 -0.02 0.00 -0.44 -5.01 105.19 100.97 3i6e n GLY 132 Ca 0.00 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.23 1.48 0.00 1.61 -2.85 -1.26 -3.98 119.74 114.51 3i6e s LYS 133 Ca 0.00 -1.54 0.00 0.00 -1.00 0.00 0.00 55.97 53.43 3i6e s LYS 133 Cb 0.00 -1.70 0.00 0.00 -2.06 0.00 0.00 37.83 34.07 3i6e s LYS 133 CO 0.00 0.35 0.23 0.00 0.10 0.00 0.00 175.35 176.03 3i6e s ARG 135 N -0.36 0.76 0.01 0.00 1.70 -1.25 -5.05 118.95 114.76 3i6e s ARG 135 Ca 0.00 0.04 0.22 0.00 -0.47 0.00 0.00 55.73 55.52 3i6e s ARG 135 Cb 0.00 0.35 -0.20 0.00 -0.57 0.00 0.00 34.95 34.52 3i6e s ARG 135 CO 0.00 -0.21 0.74 -0.25 -1.08 0.00 0.00 175.30 174.50 3i6e n ASP 136 N 1.38 0.42 -4.05 -2.89 8.00 -1.26 -4.87 116.55 113.29 3i6e n ASP 136 Ca -0.20 -0.24 -0.10 0.00 0.71 0.00 0.00 54.79 54.96 3i6e n ASP 136 Cb 0.56 1.39 -0.08 0.00 -0.02 0.00 0.00 41.12 42.97 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 -3.32 0.08 -0.03 -3.53 -4.23 -1.26 -1.50 115.64 101.84 3i6e s THR 137 Ca -0.01 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3i6e s THR 137 Cb 0.14 -1.94 0.03 0.00 1.34 0.00 0.00 72.50 72.07 3i6e s THR 137 CO 0.87 -0.37 0.01 -0.63 -0.54 0.00 0.00 174.62 173.96 3i6e s ILE 138 N -4.01 0.15 0.25 2.99 1.01 -0.61 -4.94 121.20 116.04 3i6e s ILE 138 Ca 0.21 0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.66 3i6e s ILE 138 Cb 0.05 -0.26 -0.12 0.00 0.01 0.00 0.00 42.46 42.14 3i6e s ILE 138 CO 0.01 0.15 1.67 -2.84 0.00 0.00 0.00 174.94 173.93 3i6e s PRO 139 N 1.11 4.12 -0.09 2.79 0.02 -1.26 -0.24 135.00 141.45 3i6e s PRO 139 Ca -0.09 2.60 -0.11 0.00 0.02 0.00 0.00 61.00 63.43 3i6e s PRO 139 Cb -0.13 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 3i6e s PRO 139 CO -0.02 -0.71 0.25 -1.17 -0.33 0.00 0.00 177.00 175.02 3i6e s LEU 140 N 0.44 4.39 -0.05 -5.54 2.96 -0.65 -1.34 118.68 118.90 3i6e s LEU 140 Ca 0.70 0.63 0.05 0.00 -0.22 0.00 0.00 54.13 55.28 3i6e s LEU 140 Cb -0.49 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 3i6e s LEU 140 CO 0.39 0.33 -0.17 -0.55 -1.32 0.00 0.00 176.35 175.03 3i6e s SER 141 N -0.80 3.77 -0.07 3.68 0.15 0.33 -3.69 113.70 117.08 3i6e s SER 141 Ca 0.18 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.58 3i6e s SER 141 Cb -0.14 -0.77 -0.02 0.00 -1.71 0.00 0.00 66.02 63.38 3i6e s SER 141 CO 0.07 0.33 -0.15 0.00 1.20 0.00 0.00 173.24 174.68 3i6e s SER 143 N -0.44 6.99 -0.33 0.00 0.01 -1.26 -1.48 113.70 117.20 3i6e s SER 143 Ca 0.05 1.61 0.03 0.00 1.31 0.00 0.00 55.95 58.96 3i6e s SER 143 Cb -0.12 -2.50 0.10 0.00 0.21 0.00 0.00 66.02 63.70 3i6e s SER 143 CO 0.02 -0.24 0.04 -0.63 0.41 0.00 0.00 173.24 172.83 3i6e s ILE 144 N -1.98 2.14 -0.00 1.44 -1.09 -0.07 -4.86 121.20 116.77 3i6e s ILE 144 Ca 0.57 -2.18 0.00 0.00 -2.23 0.00 0.00 60.65 56.81 3i6e s ILE 144 Cb -0.12 -2.55 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 3i6e s ILE 144 CO 0.17 -0.54 0.71 0.00 -1.23 0.00 0.00 174.94 174.04 3i6e n ALA 145 N 4.32 1.42 -2.37 9.38 0.00 -1.26 -1.23 120.51 130.78 3i6e n ALA 145 Ca 0.02 -0.73 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 3i6e n ALA 145 Cb 0.42 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 3i6e n ALA 145 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i6e s ASN 146 N -0.44 7.08 0.51 0.00 3.84 -1.26 -4.89 114.94 119.77 3i6e s ASN 146 Ca 0.00 2.04 0.16 0.00 0.21 0.00 0.00 52.86 55.28 3i6e s ASN 146 Cb 0.00 -2.58 1.23 0.00 -0.55 0.00 0.00 41.25 39.36 3i6e s ASN 146 CO 0.00 -0.46 2.11 -0.65 -2.79 0.00 0.00 177.10 175.32 3i6e h PRO 147 N 6.61 0.07 -4.60 0.43 0.11 -2.01 -3.27 132.00 129.35 3i6e h PRO 147 Ca -0.42 -0.00 -0.72 0.00 0.11 0.00 0.00 66.00 64.97 3i6e h PRO 147 Cb 1.21 -0.02 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 3i6e h PRO 147 CO 0.80 0.05 0.26 0.34 -0.21 0.00 0.00 178.00 179.24 3i6e s ASP 148 N -6.89 6.38 0.55 -2.05 2.15 -1.26 -4.91 116.67 110.64 3i6e s ASP 148 Ca -0.05 -1.79 0.25 0.00 0.43 0.00 0.00 52.55 51.39 3i6e s ASP 148 Cb 0.17 -2.31 1.57 0.00 -0.30 0.00 0.00 42.92 42.06 3i6e s ASP 148 CO 0.69 -1.01 2.17 0.15 -0.17 0.00 0.00 175.17 177.00 3i6e h PHE 149 N 8.86 0.00 -0.43 -5.34 3.57 -1.99 -2.11 116.94 119.49 3i6e h PHE 149 Ca -0.13 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 3i6e h PHE 149 Cb 1.07 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 3i6e h PHE 149 CO 0.94 0.05 0.00 -0.44 -2.23 0.00 0.00 178.31 176.63 3i6e h ASP 150 N 0.00 0.66 -0.29 0.41 3.32 -1.92 -0.67 116.42 117.93 3i6e h ASP 150 Ca -0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 3i6e h ASP 150 Cb 0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3i6e h ASP 150 CO 0.01 0.73 0.05 0.00 -1.72 0.00 0.00 179.24 178.30 3i6e h ALA 151 N 1.35 1.37 0.00 3.45 0.00 -1.78 -1.69 119.26 121.96 3i6e h ALA 151 Ca 0.13 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3i6e h ALA 151 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i6e h ALA 151 CO 0.02 0.45 -0.29 -0.44 0.00 0.00 0.00 179.25 178.98 3i6e h ASP 152 N 0.57 0.00 -0.34 0.00 3.32 -1.24 -1.94 116.42 116.78 3i6e h ASP 152 Ca 0.13 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 3i6e h ASP 152 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3i6e h ASP 152 CO 0.00 0.29 -0.41 0.40 -1.72 0.00 0.00 179.24 177.81 3i6e h ILE 153 N 0.00 1.28 -0.74 0.35 2.04 -0.27 0.18 117.51 120.35 3i6e h ILE 153 Ca -0.00 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 64.22 3i6e h ILE 153 Cb 0.96 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 3i6e h ILE 153 CO 0.04 0.52 0.28 0.00 0.00 0.00 0.00 178.15 178.99 3i6e h ALA 154 N 0.73 1.09 -0.45 1.87 0.00 -1.24 -0.94 119.26 120.32 3i6e h ALA 154 Ca 0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3i6e h ALA 154 Cb 1.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3i6e h ALA 154 CO 0.10 0.64 0.06 1.25 0.00 0.00 0.00 179.25 181.30 3i6e h LEU 155 N 1.08 0.73 -1.38 0.00 5.85 -1.04 -2.45 115.31 118.11 3i6e h LEU 155 Ca 0.25 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3i6e h LEU 155 Cb 0.23 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3i6e h LEU 155 CO -0.02 0.82 -0.12 0.24 -0.34 0.00 0.00 178.44 179.02 3i6e h MET 156 N 0.62 0.27 -0.53 1.25 2.86 -0.12 0.19 114.93 119.47 3i6e h MET 156 Ca 0.14 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 3i6e h MET 156 Cb 0.41 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3i6e h MET 156 CO 0.01 0.39 0.00 0.93 1.06 0.00 0.00 176.91 179.30 3i6e h GLU 157 N 0.25 0.90 -0.15 1.72 4.39 -0.96 -0.08 114.58 120.65 3i6e h GLU 157 Ca 0.05 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 3i6e h GLU 157 Cb 0.37 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3i6e h GLU 157 CO 0.02 0.90 -0.08 -0.09 -1.16 0.00 0.00 179.01 178.60 3i6e h ARG 158 N 0.84 0.31 -0.56 2.33 2.43 -0.82 -2.24 114.38 116.66 3i6e h ARG 158 Ca 0.16 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3i6e h ARG 158 Cb 0.50 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 3i6e h ARG 158 CO 0.02 0.64 0.32 -0.07 -1.51 0.00 0.00 179.97 179.37 3i6e h LEU 159 N -0.02 0.49 -0.52 3.80 3.38 -0.39 -0.08 115.31 121.97 3i6e h LEU 159 Ca 0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i6e h LEU 159 Cb 0.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3i6e h LEU 159 CO 0.02 0.34 0.25 -0.09 0.09 0.00 0.00 178.44 179.05 3i6e h ARG 160 N 0.61 0.75 -0.45 1.13 2.43 -1.00 -0.95 114.38 116.90 3i6e h ARG 160 Ca 0.24 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3i6e h ARG 160 Cb 0.08 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3i6e h ARG 160 CO -0.13 0.62 0.13 0.00 -1.51 0.00 0.00 179.97 179.08 3i6e h ALA 161 N 1.09 1.37 0.00 2.80 0.00 -0.88 -2.14 119.26 121.50 3i6e h ALA 161 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i6e h ALA 161 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i6e h ALA 161 CO -0.02 0.46 0.00 -0.25 0.00 0.00 0.00 179.25 179.43 3i6e n ASP 162 N -4.32 0.00 0.00 0.00 8.00 -0.09 -4.90 116.55 115.24 3i6e n ASP 162 Ca 0.03 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.90 3i6e n ASP 162 Cb 0.19 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3i6e n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6e n GLY 163 N 1.05 0.77 3.70 0.44 0.00 -0.81 -2.87 105.19 107.47 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 -2.18 3.51 -1.44 1.61 1.01 -0.42 -3.70 120.40 118.80 3i6e s VAL 164 Ca 0.00 1.02 0.13 0.00 0.00 0.00 0.00 61.98 63.13 3i6e s VAL 164 Cb 0.00 -3.65 0.23 0.00 0.00 0.00 0.00 36.38 32.95 3i6e s VAL 164 CO 0.00 0.04 1.10 0.61 0.00 0.00 0.00 175.10 176.86 3i6e n GLY 165 N 3.55 1.18 3.00 4.51 0.00 -1.26 -4.47 105.19 111.70 3i6e n GLY 165 Ca 0.12 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.07 1.98 0.05 0.99 1.43 -1.24 -1.39 118.68 119.43 3i6e s LEU 166 Ca 0.21 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3i6e s LEU 166 Cb 0.13 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 3i6e s LEU 166 CO 0.18 0.09 -0.06 0.27 0.23 0.00 0.00 176.35 177.07 3i6e s ILE 167 N -0.14 0.42 -0.15 -0.59 -4.36 -0.95 -1.69 121.20 113.74 3i6e s ILE 167 Ca 0.02 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 3i6e s ILE 167 Cb -0.04 -0.90 0.03 0.00 1.25 0.00 0.00 42.46 42.80 3i6e s ILE 167 CO -0.00 -0.61 -0.10 -0.75 0.24 0.00 0.00 174.94 173.71 3i6e s LYS 168 N -2.40 1.90 -0.17 0.37 2.20 -0.55 -0.87 119.74 120.23 3i6e s LYS 168 Ca -0.04 -0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 54.76 3i6e s LYS 168 Cb -0.04 -2.02 -0.01 0.00 -1.51 0.00 0.00 37.83 34.25 3i6e s LYS 168 CO -0.03 -0.32 0.94 -1.17 -0.36 0.00 0.00 175.35 174.42 3i6e s LEU 169 N 1.55 4.17 -0.36 5.43 2.96 0.46 -0.90 118.68 132.00 3i6e s LEU 169 Ca 0.03 1.34 -0.28 0.00 -0.22 0.00 0.00 54.13 55.00 3i6e s LEU 169 Cb -0.14 -3.42 0.02 0.00 0.50 0.00 0.00 46.19 43.15 3i6e s LEU 169 CO -0.09 -0.49 1.02 -0.75 -1.32 0.00 0.00 176.35 174.72 3i6e s LYS 170 N 2.40 3.93 0.37 1.98 2.20 -0.36 -1.15 119.74 129.11 3i6e s LYS 170 Ca 0.43 0.80 0.08 0.00 -0.36 0.00 0.00 55.97 56.92 3i6e s LYS 170 Cb -0.17 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 3i6e s LYS 170 CO 0.12 -0.98 0.17 0.95 -0.36 0.00 0.00 175.35 175.25 3i6e s THR 171 N 3.69 2.79 0.00 3.43 -4.23 -0.08 -4.78 115.64 116.45 3i6e s THR 171 Ca 0.43 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3i6e s THR 171 Cb -0.11 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.75 3i6e s THR 171 CO 0.19 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 3i6e n GLY 172 N -1.20 0.81 0.09 3.99 0.00 -1.26 -4.26 105.19 103.36 3i6e n GLY 172 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.31 0.72 -1.94 1.61 1.16 -1.26 -4.77 117.46 110.66 3i6e n PHE 173 Ca 0.00 0.21 0.00 0.00 -1.87 0.00 0.00 57.45 55.79 3i6e n PHE 173 Cb 0.00 -0.82 0.00 0.00 -1.61 0.00 0.00 39.48 37.05 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 -2.52 3.99 -2.33 3.97 1.74 -1.26 -5.14 116.66 115.12 3i6e n ARG 174 Ca -0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 3i6e n ARG 174 Cb 0.54 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.04 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 0.74 5.01 0.27 0.55 1.47 -1.26 -4.98 116.67 118.47 3i6e s ASP 175 Ca 0.00 0.38 -0.03 0.00 1.18 0.00 0.00 52.55 54.07 3i6e s ASP 175 Cb 0.00 -1.12 0.38 0.00 -0.34 0.00 0.00 42.92 41.83 3i6e s ASP 175 CO 0.00 -1.43 1.93 -0.74 0.68 0.00 0.00 175.17 175.61 3i6e h HIS 176 N -0.39 1.16 -0.90 2.11 -0.00 -2.00 -2.42 115.15 112.71 3i6e h HIS 176 Ca -0.44 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.05 3i6e h HIS 176 Cb 1.30 -0.39 -0.06 0.00 -0.00 0.00 0.00 27.41 28.26 3i6e h HIS 176 CO 0.36 0.69 0.58 0.00 -0.00 0.00 0.00 177.93 179.56 3i6e h ALA 177 N 1.44 1.60 -0.36 5.26 0.00 -1.99 -0.38 119.26 124.82 3i6e h ALA 177 Ca 0.37 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3i6e h ALA 177 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3i6e h ALA 177 CO -0.10 0.23 -0.03 0.35 0.00 0.00 0.00 179.25 179.70 3i6e h PHE 178 N 0.93 0.59 -0.12 0.00 3.57 -1.82 0.89 116.94 120.98 3i6e h PHE 178 Ca 0.41 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 3i6e h PHE 178 Cb 0.36 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3i6e h PHE 178 CO -0.00 0.59 -0.11 -0.44 -2.23 0.00 0.00 178.31 176.12 3i6e h ASP 179 N 0.54 0.30 -0.60 0.41 3.32 -1.06 -2.67 116.42 116.66 3i6e h ASP 179 Ca 0.11 -0.47 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 3i6e h ASP 179 Cb 0.38 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3i6e h ASP 179 CO 0.02 0.71 0.17 0.40 -1.72 0.00 0.00 179.24 178.82 3i6e h ILE 180 N -0.11 1.25 -0.33 0.35 1.08 -1.12 -2.10 117.51 116.52 3i6e h ILE 180 Ca 0.02 -0.86 0.05 0.00 -0.39 0.00 0.00 64.86 63.68 3i6e h ILE 180 Cb 0.62 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 3i6e h ILE 180 CO 0.03 0.32 0.05 -0.03 -0.69 0.00 0.00 178.15 177.83 3i6e h MET 181 N 0.86 0.16 -0.38 2.37 4.05 -0.84 -1.08 114.93 120.06 3i6e h MET 181 Ca 0.19 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.50 3i6e h MET 181 Cb 0.31 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 3i6e h MET 181 CO -0.00 0.11 -0.18 0.00 0.23 0.00 0.00 176.91 177.07 3i6e h ARG 182 N 0.17 0.72 -0.58 0.39 3.08 -1.32 -1.95 114.38 114.88 3i6e h ARG 182 Ca 0.15 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 3i6e h ARG 182 Cb 0.18 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3i6e h ARG 182 CO -0.21 0.86 0.06 -0.07 -1.07 0.00 0.00 179.97 179.54 3i6e h LEU 183 N 0.64 0.91 -0.12 3.04 3.38 -0.98 -1.12 115.31 121.06 3i6e h LEU 183 Ca 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3i6e h LEU 183 Cb 0.66 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i6e h LEU 183 CO 0.05 0.93 -0.05 -0.33 0.09 0.00 0.00 178.44 179.13 3i6e h GLU 184 N 0.89 0.24 -0.78 1.13 5.08 -0.99 -2.02 114.58 118.13 3i6e h GLU 184 Ca 0.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3i6e h GLU 184 Cb 0.43 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3i6e h GLU 184 CO 0.01 0.58 0.44 1.25 -1.00 0.00 0.00 179.01 180.29 3i6e h LEU 185 N -0.10 0.97 -0.55 1.33 6.46 -1.26 -1.34 115.31 120.82 3i6e h LEU 185 Ca 0.03 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 3i6e h LEU 185 Cb 0.50 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 3i6e h LEU 185 CO 0.02 0.78 0.23 0.40 -0.62 0.00 0.00 178.44 179.24 3i6e h ILE 186 N 1.08 1.22 -0.22 4.05 2.04 -1.19 0.34 117.51 124.83 3i6e h ILE 186 Ca 0.28 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 3i6e h ILE 186 Cb 0.01 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3i6e h ILE 186 CO -0.05 0.25 -0.11 0.00 0.00 0.00 0.00 178.15 178.25 3i6e h ALA 187 N 1.07 1.41 0.01 1.87 0.00 -1.03 -0.22 119.26 122.38 3i6e h ALA 187 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i6e h ALA 187 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i6e h ALA 187 CO -0.02 0.41 -0.01 -0.09 0.00 0.00 0.00 179.25 179.54 3i6e h ARG 188 N 0.33 -0.02 0.00 0.00 2.43 -0.75 -3.35 114.38 113.02 3i6e h ARG 188 Ca 0.07 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3i6e h ARG 188 Cb 0.40 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3i6e h ARG 188 CO 0.02 0.28 -0.97 -0.44 -1.51 0.00 0.00 179.97 177.36 3i6e h ASP 189 N -1.00 0.00 -1.86 -3.80 3.32 -0.40 -3.39 116.42 109.29 3i6e h ASP 189 Ca -0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.53 3i6e h ASP 189 Cb 0.31 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.45 3i6e h ASP 189 CO 0.00 0.14 -0.94 0.49 -1.72 0.00 0.00 179.24 177.21 3i6e n PHE 190 N -2.79 2.12 0.32 4.55 3.72 -0.10 -4.91 117.46 120.37 3i6e n PHE 190 Ca -0.02 -3.60 0.19 0.00 -0.05 0.00 0.00 57.45 53.97 3i6e n PHE 190 Cb 0.62 -0.38 1.08 0.00 -0.94 0.00 0.00 39.48 39.85 3i6e n PHE 190 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3i6e h PRO 191 N 2.93 0.00 -0.19 -1.08 0.13 -1.68 -2.94 132.00 129.16 3i6e h PRO 191 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 3i6e h PRO 191 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 3i6e h PRO 191 CO 0.66 0.00 0.01 0.93 -0.23 0.00 0.00 178.00 179.37 3i6e h GLU 192 N 0.00 0.28 -6.94 0.86 3.07 -1.91 -3.44 114.58 106.50 3i6e h GLU 192 Ca 0.00 -0.04 -0.49 0.00 -0.50 0.00 0.00 59.36 58.34 3i6e h GLU 192 Cb 0.02 -0.05 0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3i6e h GLU 192 CO -0.00 0.30 0.42 -0.06 -1.40 0.00 0.00 179.01 178.27 3i6e s PHE 193 N -5.01 3.30 -0.02 4.33 0.08 -1.11 -4.94 117.98 114.61 3i6e s PHE 193 Ca -0.06 1.65 -0.18 0.00 0.12 0.00 0.00 56.93 58.46 3i6e s PHE 193 Cb 0.16 -3.15 -0.05 0.00 -0.57 0.00 0.00 43.02 39.41 3i6e s PHE 193 CO 0.72 -0.63 0.51 1.03 -0.10 0.00 0.00 175.22 176.75 3i6e s ARG 194 N -2.36 4.20 -0.12 0.44 0.52 -0.49 -4.97 118.95 116.17 3i6e s ARG 194 Ca 0.56 0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 56.34 3i6e s ARG 194 Cb -0.23 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 31.90 3i6e s ARG 194 CO 0.29 0.45 -0.08 0.08 0.02 0.00 0.00 175.30 176.07 3i6e s VAL 195 N -0.40 3.58 0.33 3.52 1.01 -1.26 -2.24 120.40 124.95 3i6e s VAL 195 Ca 0.27 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.85 3i6e s VAL 195 Cb -0.17 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3i6e s VAL 195 CO 0.15 0.54 0.06 -0.13 0.00 0.00 0.00 175.10 175.72 3i6e s ARG 196 N -0.07 2.20 -0.00 2.72 3.00 -0.05 -0.57 118.95 126.18 3i6e s ARG 196 Ca 0.00 -1.65 0.03 0.00 0.00 0.00 0.00 55.73 54.11 3i6e s ARG 196 Cb -0.13 -2.03 -0.01 0.00 0.00 0.00 0.00 34.95 32.77 3i6e s ARG 196 CO 0.03 0.14 -0.10 0.08 0.00 0.00 0.00 175.30 175.45 3i6e s VAL 197 N -2.47 0.77 -0.08 3.52 1.01 -0.58 -0.40 120.40 122.17 3i6e s VAL 197 Ca 0.36 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 3i6e s VAL 197 Cb -0.01 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.75 3i6e s VAL 197 CO 0.21 0.19 0.10 -0.62 0.00 0.00 0.00 175.10 174.97 3i6e s ASP 198 N -0.32 1.27 0.01 3.32 -1.08 -0.30 -0.21 116.67 119.37 3i6e s ASP 198 Ca 0.03 0.00 0.26 0.00 -0.52 0.00 0.00 52.55 52.32 3i6e s ASP 198 Cb -0.04 -0.02 0.65 0.00 -1.46 0.00 0.00 42.92 42.05 3i6e s ASP 198 CO -0.00 -0.27 1.52 -1.22 0.52 0.00 0.00 175.17 175.72 3i6e n TYR 199 N 5.30 0.05 -3.95 -5.34 4.02 -0.81 -0.90 117.16 115.53 3i6e n TYR 199 Ca -0.04 0.01 -0.27 0.00 -0.01 0.00 0.00 57.90 57.59 3i6e n TYR 199 Cb 0.50 -0.34 -0.02 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.55 -0.86 -0.80 7.72 4.13 -1.23 0.10 115.26 122.77 3i6e n ASN 200 Ca 0.06 -1.04 -0.10 0.00 1.68 0.00 0.00 54.58 55.18 3i6e n ASN 200 Cb 0.34 -2.94 -0.04 0.00 -1.54 0.00 0.00 39.78 35.60 3i6e n ASN 200 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i6e n GLN 201 N -4.41 -1.71 0.18 3.52 6.02 0.21 -4.88 117.38 116.31 3i6e n GLN 201 Ca -0.28 0.81 0.14 0.00 -0.01 0.00 0.00 57.00 57.65 3i6e n GLN 201 Cb 0.67 -5.16 0.55 0.00 1.02 0.00 0.00 30.24 27.33 3i6e n GLN 201 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3i6e h GLY 202 N 0.00 0.00 -4.26 1.08 0.00 -0.34 -3.32 103.07 96.24 3i6e h GLY 202 Ca -0.20 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.56 3i6e h GLY 202 CO 0.30 0.00 -0.10 1.08 0.00 0.00 0.00 176.54 177.82 3i6e s LEU 203 N -5.10 4.36 0.55 3.11 1.43 -0.08 -4.94 118.68 118.01 3i6e s LEU 203 Ca 0.03 1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 54.13 3i6e s LEU 203 Cb 0.09 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3i6e s LEU 203 CO 0.46 0.14 0.87 -1.61 0.23 0.00 0.00 176.35 176.44 3i6e s GLU 204 N -1.83 3.33 0.22 1.70 0.41 -1.26 -4.46 118.70 116.80 3i6e s GLU 204 Ca 0.36 0.24 -0.08 0.00 -0.41 0.00 0.00 54.97 55.07 3i6e s GLU 204 Cb -0.15 -2.28 0.34 0.00 -1.78 0.00 0.00 34.13 30.25 3i6e s GLU 204 CO 0.19 -0.45 1.72 0.82 -0.49 0.00 0.00 175.26 177.04 3i6e h ILE 205 N -0.03 0.66 0.00 -1.63 2.04 -1.98 -1.88 117.51 114.70 3i6e h ILE 205 Ca -0.46 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3i6e h ILE 205 Cb 1.22 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3i6e h ILE 205 CO 0.61 0.06 0.00 -0.90 0.00 0.00 0.00 178.15 177.93 3i6e n ASP 206 N -5.07 0.00 0.00 1.72 5.68 -1.26 -3.28 116.55 114.34 3i6e n ASP 206 Ca 0.10 -0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 3i6e n ASP 206 Cb 0.34 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3i6e n ASP 206 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i6e n GLU 207 N -1.22 4.11 0.13 0.11 0.28 -0.86 -4.86 120.64 118.33 3i6e n GLU 207 Ca 0.10 -0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 56.89 3i6e n GLU 207 Cb 0.13 -0.49 -0.06 0.00 1.43 0.00 0.00 31.44 32.45 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 -0.55 0.38 -1.84 0.00 -1.35 -2.60 119.26 113.31 3i6e h ALA 208 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i6e h ALA 208 Cb 0.02 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3i6e h ALA 208 CO 0.00 -0.86 -0.29 0.28 0.00 0.00 0.00 179.25 178.38 3i6e h VAL 209 N -0.55 0.40 -0.57 0.00 2.07 -1.89 -1.61 116.25 114.11 3i6e h VAL 209 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3i6e h VAL 209 Cb 0.56 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3i6e h VAL 209 CO -0.15 0.00 0.20 1.55 0.02 0.00 0.00 177.57 179.19 3i6e h PRO 210 N -0.67 0.83 -0.22 1.57 0.13 -1.91 -1.24 132.00 130.50 3i6e h PRO 210 Ca -0.03 -0.14 -0.11 0.00 -0.87 0.00 0.00 66.00 64.85 3i6e h PRO 210 Cb 0.58 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 3i6e h PRO 210 CO -0.00 0.70 -0.30 0.00 -0.23 0.00 0.00 178.00 178.17 3i6e h ARG 211 N 0.82 0.59 -0.42 0.86 3.08 -1.42 -2.41 114.38 115.48 3i6e h ARG 211 Ca 0.19 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3i6e h ARG 211 Cb 0.20 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3i6e h ARG 211 CO -0.01 0.95 0.19 0.28 -1.07 0.00 0.00 179.97 180.30 3i6e h VAL 212 N 0.28 1.19 -0.77 2.04 2.07 -1.20 -1.42 116.25 118.43 3i6e h VAL 212 Ca 0.03 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3i6e h VAL 212 Cb 0.88 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 3i6e h VAL 212 CO 0.07 0.21 0.49 -0.07 0.02 0.00 0.00 177.57 178.28 3i6e h LEU 213 N 0.54 0.79 -0.22 2.57 3.38 -1.22 0.13 115.31 121.28 3i6e h LEU 213 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3i6e h LEU 213 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3i6e h LEU 213 CO -0.02 0.54 -0.02 -0.78 0.09 0.00 0.00 178.44 178.25 3i6e h ASP 214 N 0.94 0.39 -0.28 -0.43 1.82 -1.20 -2.93 116.42 114.72 3i6e h ASP 214 Ca 0.32 -0.33 -0.07 0.00 -0.39 0.00 0.00 57.03 56.55 3i6e h ASP 214 Cb 0.05 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 3i6e h ASP 214 CO -0.12 0.63 -0.04 0.58 -1.61 0.00 0.00 179.24 178.68 3i6e h VAL 215 N 0.14 1.23 -0.07 2.25 2.07 -1.00 -2.41 116.25 118.47 3i6e h VAL 215 Ca 0.06 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3i6e h VAL 215 Cb 0.45 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3i6e h VAL 215 CO 0.02 0.33 0.06 0.00 0.02 0.00 0.00 177.57 178.00 3i6e h ALA 216 N 1.35 1.80 0.00 1.67 0.00 -0.56 -0.89 119.26 122.63 3i6e h ALA 216 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i6e h ALA 216 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i6e h ALA 216 CO 0.02 -0.10 -0.00 1.96 0.00 0.00 0.00 179.25 181.13 3i6e h GLN 217 N 0.00 0.00 -0.01 0.00 1.08 -1.30 0.16 115.11 115.05 3i6e h GLN 217 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3i6e h GLN 217 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3i6e h GLN 217 CO -0.00 0.00 -0.01 1.19 -0.95 0.00 0.00 178.83 179.06 3i6e n PHE 218 N -3.18 0.00 -3.79 2.96 3.72 -0.34 -4.96 117.46 111.87 3i6e n PHE 218 Ca -0.03 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.12 3i6e n PHE 218 Cb 0.10 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.41 -3.24 -1.26 -1.08 6.02 0.04 -4.96 117.38 112.49 3i6e n GLN 219 Ca 0.21 0.49 -0.31 0.00 -0.01 0.00 0.00 57.00 57.38 3i6e n GLN 219 Cb 0.25 -4.65 0.10 0.00 1.02 0.00 0.00 30.24 26.96 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 -6.18 2.05 0.44 -1.09 0.04 -1.26 -4.89 135.00 124.10 3i6e s PRO 220 Ca 0.13 1.08 0.12 0.00 0.04 0.00 0.00 61.00 62.37 3i6e s PRO 220 Cb -0.04 -1.88 1.02 0.00 0.04 0.00 0.00 34.50 33.64 3i6e s PRO 220 CO 0.85 -1.76 2.03 -0.44 0.04 0.00 0.00 177.00 177.72 3i6e h ASP 221 N -1.21 0.33 -4.74 6.66 3.32 -1.21 -3.44 116.42 116.14 3i6e h ASP 221 Ca -0.45 -0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.71 3i6e h ASP 221 Cb 1.24 -0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 3i6e h ASP 221 CO 0.52 0.22 0.48 0.72 -1.72 0.00 0.00 179.24 179.47 3i6e s PHE 222 N -5.36 -0.33 -0.16 4.55 -0.12 -1.26 -4.24 117.98 111.06 3i6e s PHE 222 Ca -0.07 0.17 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 3i6e s PHE 222 Cb 0.18 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 43.14 3i6e s PHE 222 CO 0.73 -0.59 -0.20 0.42 -0.05 0.00 0.00 175.22 175.53 3i6e s ILE 223 N -3.16 2.00 -0.14 -4.49 1.01 0.05 -1.53 121.20 114.94 3i6e s ILE 223 Ca 0.06 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 3i6e s ILE 223 Cb -0.01 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 3i6e s ILE 223 CO -0.08 0.53 0.23 -0.70 0.00 0.00 0.00 174.94 174.93 3i6e s GLU 224 N 1.11 4.03 -0.21 2.79 2.12 0.71 -0.78 118.70 128.47 3i6e s GLU 224 Ca -0.00 -0.00 -0.05 0.00 0.36 0.00 0.00 54.97 55.28 3i6e s GLU 224 Cb -0.14 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.91 3i6e s GLU 224 CO -0.08 0.42 0.19 0.94 -0.54 0.00 0.00 175.26 176.19 3i6e n GLN 225 N 3.02 -0.52 -0.05 4.30 -0.06 0.15 -1.92 117.38 122.30 3i6e n GLN 225 Ca -0.15 0.30 0.02 0.00 -2.00 0.00 0.00 57.00 55.17 3i6e n GLN 225 Cb 0.53 -0.65 0.34 0.00 -4.06 0.00 0.00 30.24 26.40 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 0.62 0.64 -5.41 3.69 0.11 -1.87 0.61 132.00 130.38 3i6e h PRO 226 Ca -0.19 -0.07 -0.62 0.00 0.11 0.00 0.00 66.00 65.24 3i6e h PRO 226 Cb 0.43 -0.13 -0.13 0.00 0.11 0.00 0.00 31.00 31.28 3i6e h PRO 226 CO 0.10 0.49 -0.57 0.14 -0.21 0.00 0.00 178.00 177.94 3i6e s VAL 227 N -5.42 1.53 0.35 3.15 -7.23 -1.26 -0.90 120.40 110.62 3i6e s VAL 227 Ca -0.09 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.82 3i6e s VAL 227 Cb 0.17 -2.67 -0.12 0.00 0.56 0.00 0.00 36.38 34.31 3i6e s VAL 227 CO 0.75 0.00 1.00 0.54 -0.31 0.00 0.00 175.10 177.08 3i6e n ARG 228 N -1.01 1.36 -0.31 4.82 5.12 -1.25 -4.29 116.66 121.09 3i6e n ARG 228 Ca -0.09 0.48 0.17 0.00 -1.93 0.00 0.00 57.85 56.49 3i6e n ARG 228 Cb 0.67 -1.94 0.36 0.00 -1.16 0.00 0.00 32.46 30.39 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 1.77 1.53 0.00 7.54 0.00 -1.92 -0.62 119.26 127.55 3i6e h ALA 229 Ca -0.42 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3i6e h ALA 229 Cb 1.34 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3i6e h ALA 229 CO 0.59 -0.53 0.00 -2.39 0.00 0.00 0.00 179.25 176.92 3i6e n HIS 230 N -5.19 0.00 -1.37 0.00 1.44 -1.26 -4.28 115.22 104.55 3i6e n HIS 230 Ca 0.26 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.57 3i6e n HIS 230 Cb 0.81 -0.47 -0.03 0.00 0.12 0.00 0.00 29.99 30.43 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 -1.47 2.50 -0.32 -1.40 8.25 -0.24 -4.66 115.22 117.88 3i6e n HIS 231 Ca 0.05 -3.08 -0.04 0.00 -0.26 0.00 0.00 57.72 54.39 3i6e n HIS 231 Cb 0.20 -2.47 0.08 0.00 1.12 0.00 0.00 29.99 28.93 3i6e n HIS 231 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3i6e h PHE 232 N 5.04 1.20 -0.15 4.41 -1.00 -1.85 -0.64 116.94 123.95 3i6e h PHE 232 Ca 0.85 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.59 3i6e h PHE 232 Cb 0.30 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 3i6e h PHE 232 CO 1.85 0.83 0.05 0.93 -1.61 0.00 0.00 178.31 180.36 3i6e h GLU 233 N 1.21 0.22 -0.40 1.51 5.08 -1.94 -0.92 114.58 119.34 3i6e h GLU 233 Ca 0.30 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 3i6e h GLU 233 Cb 0.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3i6e h GLU 233 CO -0.05 0.34 -0.17 1.25 -1.00 0.00 0.00 179.01 179.38 3i6e h LEU 234 N 0.06 0.76 -0.53 1.33 5.85 -1.92 -1.74 115.31 119.12 3i6e h LEU 234 Ca 0.05 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3i6e h LEU 234 Cb 0.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3i6e h LEU 234 CO -0.00 0.93 0.34 0.24 -0.34 0.00 0.00 178.44 179.61 3i6e h MET 235 N 0.67 0.71 -0.95 1.25 2.86 -0.95 0.14 114.93 118.67 3i6e h MET 235 Ca 0.10 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3i6e h MET 235 Cb 0.66 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 3i6e h MET 235 CO 0.05 0.49 0.63 0.00 1.06 0.00 0.00 176.91 179.14 3i6e h ALA 236 N 1.18 1.20 -0.44 6.32 0.00 -0.80 0.11 119.26 126.82 3i6e h ALA 236 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3i6e h ALA 236 Cb -0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 3i6e h ALA 236 CO -0.04 0.60 0.01 0.00 0.00 0.00 0.00 179.25 179.81 3i6e h ARG 237 N 1.28 0.77 -0.73 0.00 3.08 -0.58 -2.67 114.38 115.53 3i6e h ARG 237 Ca 0.35 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3i6e h ARG 237 Cb -0.15 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 3i6e h ARG 237 CO -0.07 0.83 0.40 -0.07 -1.07 0.00 0.00 179.97 179.99 3i6e h LEU 238 N 0.61 0.91 -1.29 3.04 3.38 -0.15 -2.11 115.31 119.69 3i6e h LEU 238 Ca 0.12 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3i6e h LEU 238 Cb 0.48 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3i6e h LEU 238 CO 0.02 0.73 0.51 -0.09 0.09 0.00 0.00 178.44 179.70 3i6e h ARG 239 N 1.02 0.86 -0.02 1.13 2.43 -0.46 -1.63 114.38 117.72 3i6e h ARG 239 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3i6e h ARG 239 Cb 0.03 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3i6e h ARG 239 CO -0.04 0.57 0.00 0.41 -1.51 0.00 0.00 179.97 179.40 3i6e n GLY 240 N -1.43 -0.76 0.13 2.80 0.00 -0.80 -4.05 105.19 101.09 3i6e n GLY 240 Ca 0.11 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.49 0.00 -8.45 0.99 3.38 -1.24 -3.48 115.31 106.99 3i6e h LEU 241 Ca 0.00 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 3i6e h LEU 241 Cb 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 3i6e h LEU 241 CO 0.00 0.01 -0.26 0.42 0.09 0.00 0.00 178.44 178.70 3i6e s THR 242 N -3.32 0.00 -1.39 0.22 -4.23 -1.26 -5.03 115.64 100.62 3i6e s THR 242 Ca 0.01 -1.63 0.19 0.00 -1.18 0.00 0.00 61.69 59.09 3i6e s THR 242 Cb 0.09 -2.46 0.63 0.00 1.34 0.00 0.00 72.50 72.10 3i6e s THR 242 CO 0.76 0.00 1.54 0.47 -0.54 0.00 0.00 174.62 176.85 3i6e n ASP 243 N -0.83 4.16 -4.72 3.99 8.00 -1.26 -4.89 116.55 120.99 3i6e n ASP 243 Ca 0.00 -2.23 -0.40 0.00 0.71 0.00 0.00 54.79 52.87 3i6e n ASP 243 Cb 0.63 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.43 4.90 0.24 2.53 1.01 -1.26 -4.99 120.40 121.40 3i6e s VAL 244 Ca 0.46 1.69 -0.31 0.00 0.00 0.00 0.00 61.98 63.81 3i6e s VAL 244 Cb 0.27 -4.15 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 3i6e s VAL 244 CO 0.26 0.26 1.52 -2.65 0.00 0.00 0.00 175.10 174.49 3i6e n PRO 245 N 3.54 2.33 -3.75 2.72 -0.02 -1.26 -4.84 135.00 133.72 3i6e n PRO 245 Ca 0.01 0.83 -0.36 0.00 -2.02 0.00 0.00 63.50 61.95 3i6e n PRO 245 Cb 0.51 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 31.30 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 0.13 3.45 -0.09 2.45 2.96 -1.26 -0.77 118.68 125.55 3i6e s LEU 246 Ca 0.69 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 54.34 3i6e s LEU 246 Cb -0.59 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 3i6e s LEU 246 CO 0.46 -0.04 0.09 -0.76 -1.32 0.00 0.00 176.35 174.79 3i6e s LEU 247 N 1.62 4.10 -0.07 -0.68 1.43 0.04 -0.29 118.68 124.82 3i6e s LEU 247 Ca 0.06 0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 3i6e s LEU 247 Cb -0.15 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3i6e s LEU 247 CO 0.04 0.38 0.36 0.00 0.23 0.00 0.00 176.35 177.36 3i6e s ALA 248 N -1.02 3.66 0.00 4.21 0.00 -0.47 -0.68 121.76 127.46 3i6e s ALA 248 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3i6e s ALA 248 Cb -0.12 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.62 3i6e s ALA 248 CO 0.05 0.33 0.00 -3.47 0.00 0.00 0.00 175.76 172.67 3i6e n ASP 249 N 2.54 0.00 0.30 0.00 -0.08 -1.26 -1.14 116.55 116.91 3i6e n ASP 249 Ca -0.13 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.34 3i6e n ASP 249 Cb 0.52 0.00 1.00 0.00 2.34 0.00 0.00 41.12 44.98 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 -0.84 114.58 114.20 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 -3.37 1.42 0.02 -1.89 -3.42 113.55 106.31 3i6e h SER 251 Ca 0.02 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.42 3i6e h SER 251 Cb 0.20 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.36 3i6e h SER 251 CO -0.00 0.00 -0.79 -0.69 -1.14 0.00 0.00 176.83 174.21 3i6e s VAL 252 N -3.51 1.08 -0.12 2.27 1.01 -0.32 -4.89 120.40 115.92 3i6e s VAL 252 Ca 0.03 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 3i6e s VAL 252 Cb 0.09 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3i6e s VAL 252 CO 0.52 0.04 -0.23 -1.22 0.00 0.00 0.00 175.10 174.22 3i6e n TYR 253 N 4.87 0.12 -3.99 5.22 4.02 -1.26 -4.83 117.16 121.31 3i6e n TYR 253 Ca -0.11 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3i6e n TYR 253 Cb 0.47 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 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 1.50 4.20 0.37 2.72 0.00 -1.26 -3.09 105.19 109.63 3i6e n GLY 254 Ca -0.09 -2.12 0.14 0.00 0.00 0.00 0.00 46.02 43.95 3i6e n GLY 254 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i6e h PRO 255 N 0.00 0.67 -0.15 1.61 0.11 -1.92 -0.48 132.00 131.85 3i6e h PRO 255 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3i6e h PRO 255 Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3i6e h PRO 255 CO 0.00 0.45 0.06 0.93 -0.21 0.00 0.00 178.00 179.22 3i6e h GLU 256 N 0.69 0.23 -0.55 1.05 3.07 -1.98 -1.36 114.58 115.73 3i6e h GLU 256 Ca 0.56 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.30 3i6e h GLU 256 Cb 0.97 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 3i6e h GLU 256 CO -0.34 0.33 0.05 -0.44 -1.40 0.00 0.00 179.01 177.21 3i6e h ASP 257 N 0.08 0.87 -0.73 1.42 3.32 -1.72 -2.79 116.42 116.87 3i6e h ASP 257 Ca 0.05 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3i6e h ASP 257 Cb 0.19 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3i6e h ASP 257 CO -0.00 0.91 0.40 -0.03 -1.72 0.00 0.00 179.24 178.79 3i6e h MET 258 N 0.85 1.02 -0.55 3.56 4.05 -0.78 0.17 114.93 123.25 3i6e h MET 258 Ca 0.17 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3i6e h MET 258 Cb 0.44 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 3i6e h MET 258 CO 0.02 0.76 0.35 0.28 0.23 0.00 0.00 176.91 178.54 3i6e h VAL 259 N 1.00 1.15 -0.27 -5.77 2.07 -1.10 0.47 116.25 113.80 3i6e h VAL 259 Ca 0.26 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3i6e h VAL 259 Cb 0.04 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3i6e h VAL 259 CO -0.04 0.15 -0.00 -0.09 0.02 0.00 0.00 177.57 177.61 3i6e h ARG 260 N 0.74 0.48 -0.57 1.57 2.43 -1.17 -1.73 114.38 116.12 3i6e h ARG 260 Ca 0.20 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3i6e h ARG 260 Cb -0.06 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3i6e h ARG 260 CO -0.04 0.64 0.37 0.00 -1.51 0.00 0.00 179.97 179.43 3i6e h ALA 261 N 0.82 0.73 -0.45 2.80 0.00 -0.47 -0.76 119.26 121.93 3i6e h ALA 261 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3i6e h ALA 261 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i6e h ALA 261 CO 0.01 0.15 0.16 0.00 0.00 0.00 0.00 179.25 179.57 3i6e h ALA 262 N 1.22 0.59 -0.80 0.00 0.00 -0.84 -1.86 119.26 117.57 3i6e h ALA 262 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3i6e h ALA 262 Cb -0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3i6e h ALA 262 CO -0.06 0.22 0.39 1.25 0.00 0.00 0.00 179.25 181.05 3i6e h HIS 263 N 0.59 1.13 -0.01 0.00 6.17 -0.92 -2.40 115.15 119.71 3i6e h HIS 263 Ca 0.15 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.18 3i6e h HIS 263 Cb 0.23 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 29.80 3i6e h HIS 263 CO 0.01 0.81 -0.01 0.39 0.71 0.00 0.00 177.93 179.84 3i6e n GLU 264 N -4.32 1.44 -3.73 5.26 1.02 -0.33 -4.95 120.64 115.04 3i6e n GLU 264 Ca 0.08 -0.68 -0.24 0.00 -0.02 0.00 0.00 57.16 56.30 3i6e n GLU 264 Cb 0.13 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.14 -0.38 0.01 0.62 0.00 -0.72 -4.81 105.19 101.04 3i6e n GLY 265 Ca 0.20 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.51 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 -4.45 0.04 -3.99 -0.61 -5.35 -1.06 -4.44 119.36 99.50 3i6e n ILE 266 Ca -0.17 -0.02 -0.10 0.00 -0.27 0.00 0.00 62.75 62.19 3i6e n ILE 266 Cb 0.62 -0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.25 3i6e n ILE 266 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i6e n ASP 268 N -0.61 0.75 -3.62 0.00 8.00 0.60 -4.98 116.55 116.70 3i6e n ASP 268 Ca -0.02 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3i6e n ASP 268 Cb 0.62 1.01 0.01 0.00 -0.02 0.00 0.00 41.12 42.74 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 -2.51 -0.06 0.02 0.44 0.00 -1.18 -1.33 107.32 102.70 3i6e s GLY 269 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.73 3i6e s GLY 269 CO 0.65 3.73 -0.04 0.54 0.00 0.00 0.00 173.10 177.97 3i6e s VAL 270 N -2.15 0.25 -0.26 1.40 0.11 0.22 -1.37 120.40 118.60 3i6e s VAL 270 Ca 0.25 -0.81 -0.18 0.00 -2.93 0.00 0.00 61.98 58.31 3i6e s VAL 270 Cb -0.01 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 3i6e s VAL 270 CO 0.01 -0.36 0.51 -0.55 -3.33 0.00 0.00 175.10 171.38 3i6e s SER 271 N -1.24 6.42 -0.18 3.54 0.15 -0.29 -1.18 113.70 120.92 3i6e s SER 271 Ca -0.11 0.50 -0.09 0.00 0.70 0.00 0.00 55.95 56.95 3i6e s SER 271 Cb -0.08 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 3i6e s SER 271 CO -0.00 -0.28 0.12 -0.63 1.20 0.00 0.00 173.24 173.65 3i6e s ILE 272 N 2.30 5.35 -0.02 6.45 1.01 0.85 -4.77 121.20 132.36 3i6e s ILE 272 Ca 0.21 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.02 3i6e s ILE 272 Cb -0.16 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.92 3i6e s ILE 272 CO 0.09 0.48 0.04 -0.54 0.00 0.00 0.00 174.94 175.01 3i6e s LYS 273 N 0.10 -0.01 0.49 2.79 1.02 -1.26 -1.40 119.74 121.47 3i6e s LYS 273 Ca 0.09 0.17 0.25 0.00 0.02 0.00 0.00 55.97 56.50 3i6e s LYS 273 Cb -0.11 -0.18 1.27 0.00 -0.52 0.00 0.00 37.83 38.29 3i6e s LYS 273 CO -0.01 -0.13 2.00 -0.84 -0.92 0.00 0.00 175.35 175.46 3i6e h ILE 274 N 5.98 0.65 0.00 2.17 3.07 -1.87 -1.28 117.51 126.22 3i6e h ILE 274 Ca -0.40 -0.71 -0.02 0.00 1.55 0.00 0.00 64.86 65.27 3i6e h ILE 274 Cb 1.14 1.45 -0.00 0.00 -0.27 0.00 0.00 36.82 39.14 3i6e h ILE 274 CO 0.48 0.16 -0.10 0.24 -1.05 0.00 0.00 178.15 177.88 3i6e h MET 275 N 0.00 0.00 0.07 0.16 2.86 -1.91 -0.86 114.93 115.25 3i6e h MET 275 Ca -0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 3i6e h MET 275 Cb 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3i6e h MET 275 CO 0.02 0.10 -1.98 1.63 1.06 0.00 0.00 176.91 177.74 3i6e n LYS 276 N -3.32 0.69 0.07 1.72 5.02 -0.62 -3.09 118.16 118.62 3i6e n LYS 276 Ca -0.00 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.70 3i6e n LYS 276 Cb 0.31 -1.67 0.45 0.00 -0.02 0.00 0.00 35.03 34.10 3i6e n LYS 276 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i6e n SER 277 N -3.70 0.41 -1.45 4.39 3.41 -0.58 -4.41 113.62 111.69 3i6e n SER 277 Ca -0.36 0.57 -0.12 0.00 -0.26 0.00 0.00 58.87 58.70 3i6e n SER 277 Cb 0.95 -0.67 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3i6e n SER 277 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6e n GLY 278 N 0.57 -0.13 0.00 5.00 0.00 -0.34 -4.72 105.19 105.57 3i6e n GLY 278 Ca 0.04 -0.36 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 3.28 0.18 -0.02 0.00 -1.16 -3.65 105.19 102.79 3i6e n GLY 279 Ca -0.14 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 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 0.74 -0.31 0.99 4.07 -1.89 -2.86 115.31 116.05 3i6e h LEU 280 Ca 0.00 -0.71 -0.03 0.00 0.08 0.00 0.00 57.88 57.22 3i6e h LEU 280 Cb 0.00 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 3i6e h LEU 280 CO 0.00 1.34 0.07 0.74 -1.08 0.00 0.00 178.44 179.52 3i6e h THR 281 N 0.20 1.22 -0.33 0.22 2.02 -1.97 -1.71 112.91 112.57 3i6e h THR 281 Ca -0.08 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.39 3i6e h THR 281 Cb 1.42 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 3i6e h THR 281 CO 0.15 0.25 0.22 0.03 0.37 0.00 0.00 175.52 176.54 3i6e h ARG 282 N 0.34 0.28 -0.34 6.66 3.08 -1.86 0.86 114.38 123.41 3i6e h ARG 282 Ca 0.10 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3i6e h ARG 282 Cb 0.30 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3i6e h ARG 282 CO 0.00 0.19 -0.08 0.00 -1.07 0.00 0.00 179.97 179.01 3i6e h ALA 283 N 1.82 0.47 -0.65 0.04 0.00 -1.20 -2.11 119.26 117.63 3i6e h ALA 283 Ca 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i6e h ALA 283 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3i6e h ALA 283 CO -0.03 0.32 0.40 1.96 0.00 0.00 0.00 179.25 181.90 3i6e h GLN 284 N 0.45 0.88 -0.95 0.00 4.20 -0.22 -2.37 115.11 117.10 3i6e h GLN 284 Ca 0.09 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3i6e h GLN 284 Cb 0.59 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 3i6e h GLN 284 CO 0.03 0.62 0.62 1.15 -0.67 0.00 0.00 178.83 180.58 3i6e h THR 285 N 0.88 1.20 -0.43 -0.54 2.02 -0.70 -0.34 112.91 115.00 3i6e h THR 285 Ca 0.24 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3i6e h THR 285 Cb -0.04 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.20 3i6e h THR 285 CO -0.05 0.23 0.21 0.58 0.37 0.00 0.00 175.52 176.86 3i6e h VAL 286 N 1.24 1.18 -0.68 3.16 2.07 -0.92 -0.70 116.25 121.59 3i6e h VAL 286 Ca 0.36 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3i6e h VAL 286 Cb -0.07 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3i6e h VAL 286 CO -0.10 0.19 0.27 0.00 0.02 0.00 0.00 177.57 177.96 3i6e h ALA 287 N 1.06 1.20 -0.32 1.67 0.00 -0.89 -0.42 119.26 121.56 3i6e h ALA 287 Ca 0.15 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3i6e h ALA 287 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3i6e h ALA 287 CO -0.02 0.58 -0.43 0.00 0.00 0.00 0.00 179.25 179.38 3i6e h ARG 288 N 0.98 0.80 -0.41 0.00 3.08 -0.82 -0.25 114.38 117.76 3i6e h ARG 288 Ca 0.23 -0.44 -0.14 0.00 0.07 0.00 0.00 59.98 59.69 3i6e h ARG 288 Cb 0.18 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3i6e h ARG 288 CO -0.02 1.07 -0.31 0.82 -1.07 0.00 0.00 179.97 180.46 3i6e h ILE 289 N 0.65 1.27 -0.06 2.04 2.04 -0.93 -1.58 117.51 120.94 3i6e h ILE 289 Ca 0.04 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.44 3i6e h ILE 289 Cb 1.00 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3i6e h ILE 289 CO 0.10 0.50 -0.04 0.00 0.00 0.00 0.00 178.15 178.70 3i6e h ALA 290 N 0.80 0.01 -0.99 1.87 0.00 -0.90 -2.37 119.26 117.67 3i6e h ALA 290 Ca 0.08 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3i6e h ALA 290 Cb 0.90 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 3i6e h ALA 290 CO 0.08 -0.52 0.65 0.00 0.00 0.00 0.00 179.25 179.46 3i6e h ALA 291 N 1.00 1.37 0.00 0.00 0.00 -0.94 0.01 119.26 120.70 3i6e h ALA 291 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i6e h ALA 291 Cb 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3i6e h ALA 291 CO -0.09 0.53 -0.04 0.00 0.00 0.00 0.00 179.25 179.64 3i6e h ALA 292 N 1.43 1.18 -0.56 0.00 0.00 -0.79 -0.95 119.26 119.57 3i6e h ALA 292 Ca 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3i6e h ALA 292 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i6e h ALA 292 CO -0.13 0.05 0.00 0.72 0.00 0.00 0.00 179.25 179.89 3i6e n HIS 293 N -3.39 0.74 -2.58 0.00 8.25 -0.49 -4.95 115.22 112.79 3i6e n HIS 293 Ca -0.02 -0.40 -0.10 0.00 -0.26 0.00 0.00 57.72 56.94 3i6e n HIS 293 Cb 0.17 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.29 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 1.48 0.11 3.48 -1.41 0.00 -0.36 -5.03 105.19 103.45 3i6e n GLY 294 Ca 0.21 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3i6e n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 295 N -3.36 2.73 0.74 0.99 1.43 -0.13 -4.98 118.68 116.11 3i6e s LEU 295 Ca 0.13 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 3i6e s LEU 295 Cb -0.06 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.62 3i6e s LEU 295 CO 0.16 0.28 1.08 -0.04 0.23 0.00 0.00 176.35 178.06 3i6e s MET 296 N -1.27 2.52 -0.01 1.70 -1.94 -0.44 -3.44 119.30 116.41 3i6e s MET 296 Ca 0.14 1.02 0.01 0.00 -1.71 0.00 0.00 55.69 55.15 3i6e s MET 296 Cb -0.11 -1.94 0.01 0.00 2.01 0.00 0.00 34.83 34.80 3i6e s MET 296 CO 0.05 -1.42 -0.03 0.00 -0.01 0.00 0.00 175.02 173.61 3i6e s ALA 297 N -2.99 0.36 0.06 3.03 0.00 -1.26 -0.61 121.76 120.35 3i6e s ALA 297 Ca 0.60 -0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.56 3i6e s ALA 297 Cb -0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 3i6e s ALA 297 CO 0.55 0.03 -0.19 -0.47 0.00 0.00 0.00 175.76 175.69 3i6e s TYR 298 N 0.29 1.66 -1.02 0.00 5.04 -0.32 -2.41 117.35 120.59 3i6e s TYR 298 Ca -0.03 -0.39 -0.16 0.00 -2.44 0.00 0.00 57.07 54.05 3i6e s TYR 298 Cb -0.06 -0.96 0.16 0.00 0.35 0.00 0.00 41.96 41.46 3i6e s TYR 298 CO -0.01 0.12 1.19 0.20 -1.34 0.00 0.00 175.55 175.71 3i6e s GLY 299 N -1.46 2.27 0.93 8.97 0.00 -0.18 -0.11 107.32 117.75 3i6e s GLY 299 Ca 0.05 -3.11 -0.13 0.00 0.00 0.00 0.00 44.72 41.53 3i6e s GLY 299 CO 0.03 1.89 1.27 -0.32 0.00 0.00 0.00 173.10 175.97 3i6e s GLY 300 N 3.03 1.80 0.28 0.20 0.00 -0.49 -1.41 107.32 110.73 3i6e s GLY 300 Ca 0.34 -1.40 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 3i6e s GLY 300 CO -0.06 -0.63 0.67 0.51 0.00 0.00 0.00 173.10 173.59 3i6e s ASP 301 N -4.90 -0.18 0.00 1.64 -4.77 -1.26 -4.56 116.67 102.63 3i6e s ASP 301 Ca 0.74 -0.74 0.00 0.00 -3.30 0.00 0.00 52.55 49.25 3i6e s ASP 301 Cb -0.03 0.71 0.00 0.00 -1.09 0.00 0.00 42.92 42.51 3i6e s ASP 301 CO 0.52 -1.33 0.00 0.23 0.70 0.00 0.00 175.17 175.29 3i6e n MET 302 N -0.45 1.75 -2.69 2.11 2.81 -1.26 -4.97 117.12 114.41 3i6e n MET 302 Ca -0.04 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 3i6e n MET 302 Cb 0.60 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.10 3i6e n MET 302 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i6e s PHE 303 N 0.91 2.95 0.41 2.03 0.08 -1.26 -4.93 117.98 118.18 3i6e s PHE 303 Ca 0.00 -1.67 0.07 0.00 0.12 0.00 0.00 56.93 55.45 3i6e s PHE 303 Cb 0.00 -4.62 -0.04 0.00 -0.57 0.00 0.00 43.02 37.79 3i6e s PHE 303 CO 0.00 -1.70 0.28 -1.83 -0.10 0.00 0.00 175.22 171.87 3i6e s GLU 304 N 3.56 2.39 0.19 0.44 -1.05 -1.26 -4.85 118.70 118.12 3i6e s GLU 304 Ca 0.49 -1.68 0.02 0.00 -0.15 0.00 0.00 54.97 53.65 3i6e s GLU 304 Cb 0.01 -2.19 0.02 0.00 -0.44 0.00 0.00 34.13 31.54 3i6e s GLU 304 CO 0.03 -0.15 0.18 0.00 0.95 0.00 0.00 175.26 176.27 3i6e n ALA 305 N -1.40 0.33 -0.22 -0.84 0.00 -1.26 -4.37 120.51 112.74 3i6e n ALA 305 Ca 0.01 -0.73 0.11 0.00 0.00 0.00 0.00 53.44 52.83 3i6e n ALA 305 Cb 0.63 0.27 0.39 0.00 0.00 0.00 0.00 19.45 20.74 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 0.16 1.02 0.95 0.00 0.00 -1.96 -1.57 103.07 101.67 3i6e h GLY 306 Ca -0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3i6e h GLY 306 CO 0.17 0.13 0.07 -2.00 0.00 0.00 0.00 176.54 174.91 3i6e h LEU 307 N 0.66 0.15 -0.68 3.11 5.85 -1.95 0.36 115.31 122.81 3i6e h LEU 307 Ca 0.39 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 3i6e h LEU 307 Cb 0.58 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3i6e h LEU 307 CO -0.15 0.18 0.05 0.00 -0.34 0.00 0.00 178.44 178.18 3i6e h ALA 308 N 0.98 0.89 -0.67 1.25 0.00 -1.78 -2.12 119.26 117.81 3i6e h ALA 308 Ca 0.04 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3i6e h ALA 308 Cb 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3i6e h ALA 308 CO -0.01 0.67 0.40 0.45 0.00 0.00 0.00 179.25 180.76 3i6e h HIS 309 N 1.00 0.74 -0.46 0.00 3.86 -0.95 -0.20 115.15 119.13 3i6e h HIS 309 Ca 0.19 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3i6e h HIS 309 Cb 0.50 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 3i6e h HIS 309 CO 0.04 0.40 0.20 -0.07 0.86 0.00 0.00 177.93 179.36 3i6e h LEU 310 N 0.76 0.62 -0.75 2.43 3.38 -0.60 0.93 115.31 122.09 3i6e h LEU 310 Ca 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i6e h LEU 310 Cb 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3i6e h LEU 310 CO -0.14 0.60 0.43 0.00 0.09 0.00 0.00 178.44 179.42 3i6e h ALA 311 N 1.05 0.95 -0.41 1.53 0.00 -0.83 -1.24 119.26 120.31 3i6e h ALA 311 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3i6e h ALA 311 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3i6e h ALA 311 CO -0.02 0.45 -0.15 0.78 0.00 0.00 0.00 179.25 180.31 3i6e h GLY 312 N 1.03 0.82 0.94 0.00 0.00 -0.75 -2.43 103.07 102.68 3i6e h GLY 312 Ca 0.27 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 3i6e h GLY 312 CO -0.05 0.59 0.04 -0.84 0.00 0.00 0.00 176.54 176.29 3i6e h THR 313 N 0.68 1.25 -0.48 4.70 2.02 -0.36 -1.30 112.91 119.41 3i6e h THR 313 Ca 0.11 -0.92 -0.07 0.00 0.77 0.00 0.00 66.41 66.30 3i6e h THR 313 Cb 0.64 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3i6e h THR 313 CO 0.04 0.31 0.01 0.45 0.37 0.00 0.00 175.52 176.71 3i6e h HIS 314 N 0.53 0.85 0.06 3.16 3.86 -1.17 -0.83 115.15 121.60 3i6e h HIS 314 Ca 0.12 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3i6e h HIS 314 Cb 0.41 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3i6e h HIS 314 CO 0.03 0.78 -0.03 1.98 0.86 0.00 0.00 177.93 181.55 3i6e h MET 315 N 0.75 -0.08 -0.27 2.45 -1.53 -1.17 -2.81 114.93 112.28 3i6e h MET 315 Ca 0.15 0.01 -0.08 0.00 -3.44 0.00 0.00 59.70 56.33 3i6e h MET 315 Cb 0.44 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.49 3i6e h MET 315 CO 0.02 -0.02 -0.17 0.82 0.14 0.00 0.00 176.91 177.70 3i6e h ILE 316 N -0.11 1.24 -0.21 1.77 2.04 -1.10 -2.46 117.51 118.68 3i6e h ILE 316 Ca -0.01 -1.10 0.05 0.00 1.00 0.00 0.00 64.86 64.80 3i6e h ILE 316 Cb 0.09 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3i6e h ILE 316 CO 0.01 0.35 0.15 0.00 0.00 0.00 0.00 178.15 178.66 3i6e h ALA 317 N 1.39 2.14 -0.56 1.87 0.00 -0.90 -1.45 119.26 121.74 3i6e h ALA 317 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i6e h ALA 317 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i6e h ALA 317 CO 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.10 3i6e n ALA 318 N -2.57 3.05 -3.67 0.00 0.00 -0.94 -0.82 120.51 115.57 3i6e n ALA 318 Ca 0.02 -1.68 -0.29 0.00 0.00 0.00 0.00 53.44 51.48 3i6e n ALA 318 Cb 0.26 -0.92 -0.13 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.97 1.16 0.51 0.00 2.01 -0.55 -4.90 115.64 111.91 3i6e s THR 319 Ca 0.48 -2.39 0.23 0.00 0.31 0.00 0.00 61.69 60.32 3i6e s THR 319 Cb 0.32 -1.82 0.39 0.00 0.01 0.00 0.00 72.50 71.40 3i6e s THR 319 CO 0.21 -0.91 1.98 -0.65 -0.69 0.00 0.00 174.62 174.56 3i6e h PRO 320 N 6.80 0.09 0.00 4.92 0.11 -1.87 -2.28 132.00 139.77 3i6e h PRO 320 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3i6e h PRO 320 Cb 0.94 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3i6e h PRO 320 CO 0.44 0.06 -0.03 0.93 -0.21 0.00 0.00 178.00 179.19 3i6e h GLU 321 N 0.09 0.00 -5.29 1.05 3.07 -1.93 -3.37 114.58 108.19 3i6e h GLU 321 Ca 0.28 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.49 3i6e h GLU 321 Cb 1.00 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.75 3i6e h GLU 321 CO -0.03 0.03 0.31 0.42 -1.40 0.00 0.00 179.01 178.34 3i6e s ILE 322 N -4.33 4.61 -0.41 3.13 1.01 -0.86 -4.08 121.20 120.27 3i6e s ILE 322 Ca -0.04 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.37 3i6e s ILE 322 Cb 0.14 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3i6e s ILE 322 CO 0.52 -1.07 0.36 0.35 0.00 0.00 0.00 174.94 175.10 3i6e n THR 323 N 5.84 0.00 1.21 2.92 -2.24 -1.01 -4.72 114.28 116.29 3i6e n THR 323 Ca -0.04 -0.39 0.06 0.00 -2.27 0.00 0.00 64.05 61.41 3i6e n THR 323 Cb 0.46 1.03 0.21 0.00 -2.10 0.00 0.00 70.33 69.93 3i6e n THR 323 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i6e n LEU 324 N -0.79 1.41 0.00 3.22 4.77 -1.05 -5.04 117.00 119.52 3i6e n LEU 324 Ca 0.02 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3i6e n LEU 324 Cb 0.11 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3i6e n LEU 324 CO 0.10 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3i6e n GLY 325 N 0.97 -2.48 3.19 -0.72 0.00 -1.26 -4.84 105.19 100.05 3i6e n GLY 325 Ca 0.11 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.15 3.17 -2.13 0.00 0.28 -0.50 -0.51 120.64 120.80 3i6e n GLU 327 Ca -0.06 -4.20 -0.42 0.00 -0.16 0.00 0.00 57.16 52.32 3i6e n GLU 327 Cb 0.63 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.38 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 -0.53 3.06 0.27 -1.84 3.72 -1.26 -4.55 117.46 116.32 3i6e n PHE 328 Ca 0.36 -2.84 0.08 0.00 -0.05 0.00 0.00 57.45 54.99 3i6e n PHE 328 Cb 0.80 -2.12 -0.11 0.00 -0.94 0.00 0.00 39.48 37.11 3i6e n PHE 328 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3i6e n TYR 329 N 4.36 0.00 -0.28 1.38 0.18 -1.26 -4.69 117.16 116.86 3i6e n TYR 329 Ca 0.45 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 60.18 3i6e n TYR 329 Cb 0.36 -0.22 0.07 0.00 -0.38 0.00 0.00 39.34 39.16 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 1.00 -0.70 -3.48 7.50 -1.83 0.12 115.11 117.72 3i6e h GLN 330 Ca 0.00 -0.06 0.05 0.00 0.50 0.00 0.00 58.65 59.14 3i6e h GLN 330 Cb 0.59 -0.23 -0.04 0.00 0.05 0.00 0.00 27.48 27.85 3i6e h GLN 330 CO 0.00 0.66 0.46 0.00 -1.50 0.00 0.00 178.83 178.46 3i6e h ALA 331 N 1.28 1.68 0.17 3.87 0.00 -1.84 0.11 119.26 124.54 3i6e h ALA 331 Ca 0.28 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.82 3i6e h ALA 331 Cb -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3i6e h ALA 331 CO -0.06 0.22 -1.76 0.77 0.00 0.00 0.00 179.25 178.42 3i6e h SER 332 N 0.76 0.56 -0.00 0.00 0.02 -1.75 -3.42 113.55 109.72 3i6e h SER 332 Ca 0.30 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 3i6e h SER 332 Cb 0.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3i6e h SER 332 CO -0.09 1.79 -0.00 -1.22 -1.14 0.00 0.00 176.83 176.16 3i6e n TYR 333 N -3.61 0.00 -0.02 3.45 4.01 0.39 -4.89 117.16 116.48 3i6e n TYR 333 Ca -0.26 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.43 3i6e n TYR 333 Cb 1.05 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 -0.27 0.00 -2.41 -0.72 7.35 0.22 -4.98 117.46 116.65 3i6e n PHE 334 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 3i6e n PHE 334 Cb 0.00 -0.15 -0.04 0.00 0.35 0.00 0.00 39.48 39.64 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 -6.19 4.49 0.36 -2.13 1.43 -0.19 -4.54 118.68 111.91 3i6e s LEU 335 Ca -0.06 2.26 0.08 0.00 -1.03 0.00 0.00 54.13 55.38 3i6e s LEU 335 Cb 0.02 -3.62 0.68 0.00 0.03 0.00 0.00 46.19 43.31 3i6e s LEU 335 CO 0.08 -0.28 1.87 -1.13 0.23 0.00 0.00 176.35 177.11 3i6e h ASN 336 N 4.59 0.30 -3.64 2.29 -1.24 -1.39 -3.43 115.58 113.05 3i6e h ASN 336 Ca -0.46 -0.07 -0.10 0.00 0.71 0.00 0.00 56.30 56.39 3i6e h ASN 336 Cb 1.21 -0.08 -0.24 0.00 0.73 0.00 0.00 38.32 39.94 3i6e h ASN 336 CO 0.71 0.47 -0.18 -0.70 -1.29 0.00 0.00 177.43 176.44 3i6e s GLU 337 N -4.69 0.52 0.61 6.67 2.12 -1.26 -5.08 118.70 117.59 3i6e s GLU 337 Ca -0.06 0.75 -0.03 0.00 0.36 0.00 0.00 54.97 55.99 3i6e s GLU 337 Cb 0.15 0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.76 3i6e s GLU 337 CO 0.75 -0.10 0.87 0.34 -0.54 0.00 0.00 175.26 176.58 3i6e s ASP 338 N 0.69 5.18 0.00 -1.70 2.15 -1.26 -4.88 116.67 116.85 3i6e s ASP 338 Ca -0.04 0.27 0.24 0.00 0.43 0.00 0.00 52.55 53.45 3i6e s ASP 338 Cb -0.05 -1.11 0.40 0.00 -0.30 0.00 0.00 42.92 41.86 3i6e s ASP 338 CO -0.05 -1.27 1.38 2.30 -0.17 0.00 0.00 175.17 177.36 3i6e n ILE 339 N -2.57 0.35 -2.57 4.11 -5.35 -1.26 -4.98 119.36 107.08 3i6e n ILE 339 Ca 0.07 -0.65 -0.29 0.00 -0.27 0.00 0.00 62.75 61.61 3i6e n ILE 339 Cb 0.60 1.08 -0.01 0.00 -1.74 0.00 0.00 39.64 39.56 3i6e n ILE 339 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i6e s LEU 340 N -1.64 3.63 0.33 7.28 1.43 -1.26 0.32 118.68 128.77 3i6e s LEU 340 Ca 0.36 1.09 0.18 0.00 -1.03 0.00 0.00 54.13 54.72 3i6e s LEU 340 Cb 0.22 -4.04 0.15 0.00 0.03 0.00 0.00 46.19 42.55 3i6e s LEU 340 CO 0.31 -0.57 1.48 -0.33 0.23 0.00 0.00 176.35 177.47 3i6e h GLU 341 N 0.48 0.00 -5.07 1.70 5.08 -1.46 -3.41 114.58 111.89 3i6e h GLU 341 Ca -0.47 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.45 3i6e h GLU 341 Cb 1.20 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.16 3i6e h GLU 341 CO 0.62 0.33 -0.80 0.95 -1.00 0.00 0.00 179.01 179.11 3i6e s THR 342 N -3.05 0.96 0.35 1.13 -4.23 -1.26 -5.05 115.64 104.48 3i6e s THR 342 Ca 0.05 -0.56 -0.27 0.00 -1.18 0.00 0.00 61.69 59.74 3i6e s THR 342 Cb 0.07 -0.81 -0.12 0.00 1.34 0.00 0.00 72.50 72.98 3i6e s THR 342 CO 0.72 0.24 1.06 -2.65 -0.54 0.00 0.00 174.62 173.45 3i6e n PRO 343 N 2.70 1.51 -2.20 3.99 -0.02 -1.26 -4.90 135.00 134.81 3i6e n PRO 343 Ca -0.14 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 3i6e n PRO 343 Cb 0.56 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 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 -1.15 2.28 -0.12 6.00 5.36 -1.26 -4.92 117.98 124.17 3i6e s PHE 344 Ca 0.59 0.63 -0.29 0.00 -0.96 0.00 0.00 56.93 56.90 3i6e s PHE 344 Cb -0.62 -3.93 -0.03 0.00 -0.34 0.00 0.00 43.02 38.10 3i6e s PHE 344 CO 0.59 -2.63 1.35 1.03 -1.46 0.00 0.00 175.22 174.10 3i6e s ARG 345 N 4.45 4.23 -0.06 10.12 0.52 -1.26 -4.92 118.95 132.03 3i6e s ARG 345 Ca 0.67 1.79 -0.00 0.00 -0.52 0.00 0.00 55.73 57.67 3i6e s ARG 345 Cb -0.23 -3.78 0.03 0.00 0.52 0.00 0.00 34.95 31.48 3i6e s ARG 345 CO 0.27 -0.71 -0.01 0.08 0.02 0.00 0.00 175.30 174.95 3i6e s VAL 346 N 3.45 0.39 -0.08 3.52 1.01 -1.26 -0.99 120.40 126.43 3i6e s VAL 346 Ca 0.59 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.65 3i6e s VAL 346 Cb -0.25 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.64 3i6e s VAL 346 CO 0.19 0.23 -0.14 -1.61 0.00 0.00 0.00 175.10 173.77 3i6e s GLU 347 N 1.54 1.96 -1.55 2.72 2.02 0.33 -4.78 118.70 120.94 3i6e s GLU 347 Ca -0.02 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.35 3i6e s GLU 347 Cb -0.13 -1.61 0.09 0.00 0.10 0.00 0.00 34.13 32.58 3i6e s GLU 347 CO -0.03 0.02 0.93 0.00 0.02 0.00 0.00 175.26 176.19 3i6e n ALA 348 N 3.90 -1.33 -1.00 5.21 0.00 -1.26 -0.98 120.51 125.05 3i6e n ALA 348 Ca -0.21 0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i6e n ALA 348 Cb 0.52 -4.14 -0.00 0.00 0.00 0.00 0.00 19.45 15.83 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 -1.64 0.43 3.15 0.00 0.00 -1.14 -4.63 105.19 101.36 3i6e n GLY 349 Ca 0.02 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.40 2.38 0.23 1.61 -1.52 -0.16 -1.64 119.66 120.16 3i6e s GLN 350 Ca 0.00 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 52.42 3i6e s GLN 350 Cb 0.00 -1.89 -0.09 0.00 -0.22 0.00 0.00 33.01 30.81 3i6e s GLN 350 CO 0.00 0.15 1.34 0.08 -0.25 0.00 0.00 175.29 176.61 3i6e s VAL 351 N 0.37 3.03 -0.23 1.09 1.01 0.66 -0.51 120.40 125.81 3i6e s VAL 351 Ca -0.14 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 62.54 3i6e s VAL 351 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3i6e s VAL 351 CO 0.06 0.14 0.47 -0.63 0.00 0.00 0.00 175.10 175.15 3i6e s ILE 352 N -0.09 5.12 -0.15 2.22 -1.09 -0.16 -1.57 121.20 125.48 3i6e s ILE 352 Ca 0.56 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 59.52 3i6e s ILE 352 Cb -0.38 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.68 3i6e s ILE 352 CO 0.41 0.15 1.35 -0.69 -1.23 0.00 0.00 174.94 174.93 3i6e s VAL 353 N 1.88 4.13 0.49 2.92 1.01 -0.56 -4.83 120.40 125.44 3i6e s VAL 353 Ca 0.21 1.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.33 3i6e s VAL 353 Cb -0.15 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 3i6e s VAL 353 CO 0.09 -0.13 1.18 -2.84 0.00 0.00 0.00 175.10 173.40 3i6e s PRO 354 N 3.63 3.57 0.00 2.72 0.02 -1.26 -4.95 135.00 138.73 3i6e s PRO 354 Ca 0.59 1.79 0.08 0.00 0.02 0.00 0.00 61.00 63.48 3i6e s PRO 354 Cb -0.24 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 3i6e s PRO 354 CO 0.18 -0.71 0.48 -0.25 -0.33 0.00 0.00 177.00 176.37 3i6e n ASP 355 N -0.76 0.79 -4.18 2.53 8.00 -1.26 -4.92 116.55 116.75 3i6e n ASP 355 Ca 0.09 -0.90 -0.29 0.00 0.71 0.00 0.00 54.79 54.40 3i6e n ASP 355 Cb 0.48 0.71 0.21 0.00 -0.02 0.00 0.00 41.12 42.50 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 -1.48 1.58 0.56 0.44 0.00 -1.26 -4.45 107.32 102.71 3i6e s GLY 356 Ca 0.05 -0.73 -0.20 0.00 0.00 0.00 0.00 44.72 43.85 3i6e s GLY 356 CO 0.27 0.05 1.23 -4.14 0.00 0.00 0.00 173.10 170.51 3i6e s PRO 357 N -5.24 3.14 5.78 2.90 0.02 -1.26 -3.43 135.00 136.91 3i6e s PRO 357 Ca 0.69 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3i6e s PRO 357 Cb -0.13 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3i6e s PRO 357 CO 0.57 -1.09 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 3i6e n GLY 358 N 0.54 2.78 0.07 0.52 0.00 0.30 -2.31 105.19 107.09 3i6e n GLY 358 Ca 0.12 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.84 3i6e n GLY 358 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i6e n LEU 359 N 0.00 0.40 0.00 0.99 4.77 -1.26 -1.59 117.00 120.31 3i6e n LEU 359 Ca 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3i6e n LEU 359 Cb 0.00 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3i6e n LEU 359 CO 0.00 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 3i6e n GLY 360 N 0.22 0.59 3.54 -0.72 0.00 -0.98 -4.86 105.19 102.98 3i6e n GLY 360 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.37 -1.85 0.11 4.61 0.00 -1.26 -4.89 121.76 116.12 3i6e s ALA 361 Ca 0.00 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3i6e s ALA 361 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3i6e s ALA 361 CO 0.00 -0.44 0.07 1.03 0.00 0.00 0.00 175.76 176.42 3i6e s ARG 362 N -1.75 2.79 0.23 0.00 0.52 -1.26 -5.01 118.95 114.47 3i6e s ARG 362 Ca -0.02 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.11 3i6e s ARG 362 Cb -0.00 -2.65 -0.09 0.00 0.52 0.00 0.00 34.95 32.73 3i6e s ARG 362 CO 0.00 0.53 0.90 0.00 0.02 0.00 0.00 175.30 176.76 3i6e s ALA 363 N -1.49 3.36 -0.41 2.13 0.00 -1.26 -1.22 121.76 122.86 3i6e s ALA 363 Ca 0.29 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 3i6e s ALA 363 Cb -0.11 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3i6e s ALA 363 CO 0.21 0.23 1.32 0.34 0.00 0.00 0.00 175.76 177.87 3i6e s ASP 364 N -1.21 6.47 0.38 0.00 -1.08 0.15 -4.74 116.67 116.63 3i6e s ASP 364 Ca 0.41 0.81 0.12 0.00 -0.52 0.00 0.00 52.55 53.36 3i6e s ASP 364 Cb -0.25 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.58 3i6e s ASP 364 CO 0.30 -1.33 1.87 -0.65 0.52 0.00 0.00 175.17 175.88 3i6e h PRO 365 N 10.08 0.57 -0.29 4.34 0.11 -1.94 -0.54 132.00 144.34 3i6e h PRO 365 Ca -0.26 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.70 3i6e h PRO 365 Cb 1.09 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3i6e h PRO 365 CO 1.09 0.38 -0.29 0.93 -0.21 0.00 0.00 178.00 179.90 3i6e h GLU 366 N 0.59 0.59 -0.26 1.05 5.08 -1.97 -2.31 114.58 117.35 3i6e h GLU 366 Ca 0.45 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 3i6e h GLU 366 Cb 0.84 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3i6e h GLU 366 CO -0.19 0.82 -0.49 0.87 -1.00 0.00 0.00 179.01 179.02 3i6e h LYS 367 N 0.51 0.70 -0.62 2.33 1.57 -1.49 -0.92 116.57 118.66 3i6e h LYS 367 Ca 0.07 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3i6e h LYS 367 Cb 0.76 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3i6e h LYS 367 CO 0.06 1.03 0.35 -0.07 -0.57 0.00 0.00 179.45 180.25 3i6e h LEU 368 N 0.56 0.76 -0.25 2.94 3.38 -1.12 -0.84 115.31 120.73 3i6e h LEU 368 Ca 0.03 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3i6e h LEU 368 Cb 1.05 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3i6e h LEU 368 CO 0.10 0.62 -0.34 -0.08 0.09 0.00 0.00 178.44 178.83 3i6e h GLU 369 N 0.84 0.68 -0.31 1.13 4.57 -1.34 -2.37 114.58 117.77 3i6e h GLU 369 Ca 0.22 -0.39 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 3i6e h GLU 369 Cb 0.01 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3i6e h GLU 369 CO -0.04 1.01 0.18 1.25 -1.18 0.00 0.00 179.01 180.23 3i6e h HIS 370 N 0.40 0.33 -0.01 0.92 2.76 -0.89 -3.14 115.15 115.53 3i6e h HIS 370 Ca 0.03 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3i6e h HIS 370 Cb 0.93 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.78 3i6e h HIS 370 CO 0.08 0.20 -0.15 0.66 -1.30 0.00 0.00 177.93 177.41 3i6e n TYR 371 N -4.92 0.00 -2.15 5.26 4.01 -0.34 -4.94 117.16 114.08 3i6e n TYR 371 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 3i6e n TYR 371 Cb 0.05 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 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 -2.27 3.61 -0.74 -0.72 0.00 -0.89 -1.68 121.76 119.07 3i6e s ALA 372 Ca 0.30 1.14 0.21 0.00 0.00 0.00 0.00 51.96 53.61 3i6e s ALA 372 Cb 0.20 -3.54 -0.22 0.00 0.00 0.00 0.00 23.12 19.55 3i6e s ALA 372 CO 0.44 -0.63 0.82 1.33 0.00 0.00 0.00 175.76 177.71 3i6e n VAL 373 N 3.95 0.01 -3.59 0.00 0.24 0.10 -4.94 118.33 114.10 3i6e n VAL 373 Ca 0.12 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 3i6e n VAL 373 Cb 0.42 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.41 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 -3.14 0.78 0.00 7.34 3.52 -1.17 -5.01 118.95 121.27 3i6e s ARG 374 Ca 0.04 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 3i6e s ARG 374 Cb 0.15 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.92 3i6e s ARG 374 CO 0.87 -0.17 0.00 2.89 -0.81 0.00 0.00 175.30 178.08