#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 0.26 -1.10 3.23 -0.58 -1.26 -1.29 120.64 119.90 3i6e n GLU 7 Ca 0.00 0.18 -0.35 0.00 -0.42 0.00 0.00 57.16 56.57 3i6e n GLU 7 Cb 0.00 -1.77 0.08 0.00 -0.57 0.00 0.00 31.44 29.18 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 -2.21 0.10 -4.12 3.49 6.02 -1.26 -4.66 117.38 114.74 3i6e n GLN 8 Ca 0.05 0.08 -0.28 0.00 -0.01 0.00 0.00 57.00 56.83 3i6e n GLN 8 Cb 0.43 -1.78 -0.07 0.00 1.02 0.00 0.00 30.24 29.84 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 -2.96 2.67 -0.30 -1.09 1.02 -1.26 -1.19 119.74 116.63 3i6e s LYS 9 Ca 0.61 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 55.46 3i6e s LYS 9 Cb -0.30 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 3i6e s LYS 9 CO 0.62 0.51 0.93 0.42 -0.92 0.00 0.00 175.35 176.91 3i6e s ILE 10 N -1.54 4.68 -1.37 2.17 1.01 0.90 -1.57 121.20 125.47 3i6e s ILE 10 Ca 0.28 1.51 0.19 0.00 0.00 0.00 0.00 60.65 62.64 3i6e s ILE 10 Cb -0.11 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 3i6e s ILE 10 CO 0.20 -0.31 0.90 2.30 0.00 0.00 0.00 174.94 178.02 3i6e n ILE 11 N 5.61 0.00 -3.58 2.92 -5.35 0.32 -0.58 119.36 118.70 3i6e n ILE 11 Ca 0.08 -0.19 -0.15 0.00 -0.27 0.00 0.00 62.75 62.22 3i6e n ILE 11 Cb 0.47 1.12 -0.07 0.00 -1.74 0.00 0.00 39.64 39.43 3i6e n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i6e s ALA 12 N -2.47 -1.79 -0.07 -1.28 0.00 -1.16 -4.95 121.76 110.04 3i6e s ALA 12 Ca 0.12 1.71 0.02 0.00 0.00 0.00 0.00 51.96 53.80 3i6e s ALA 12 Cb 0.15 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.60 3i6e s ALA 12 CO 0.62 -0.34 -0.10 1.41 0.00 0.00 0.00 175.76 177.35 3i6e s MET 13 N -0.34 1.50 -0.02 0.00 1.75 -1.26 -1.45 119.30 119.48 3i6e s MET 13 Ca -0.04 -0.32 0.04 0.00 -1.25 0.00 0.00 55.69 54.11 3i6e s MET 13 Cb -0.03 -1.33 -0.01 0.00 2.84 0.00 0.00 34.83 36.31 3i6e s MET 13 CO 0.04 -0.05 -0.14 -0.51 -0.65 0.00 0.00 175.02 173.72 3i6e s ASP 14 N 0.91 1.65 0.16 1.11 1.01 -0.16 -4.97 116.67 116.37 3i6e s ASP 14 Ca -0.10 -0.26 0.10 0.00 0.71 0.00 0.00 52.55 53.00 3i6e s ASP 14 Cb -0.15 -0.27 -0.04 0.00 1.01 0.00 0.00 42.92 43.47 3i6e s ASP 14 CO 0.01 0.15 -0.23 -0.76 0.21 0.00 0.00 175.17 174.55 3i6e s LEU 15 N -0.18 2.40 -0.12 1.23 1.43 -1.26 -0.65 118.68 121.52 3i6e s LEU 15 Ca 0.02 -0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 52.27 3i6e s LEU 15 Cb -0.07 -1.07 0.06 0.00 0.03 0.00 0.00 46.19 45.14 3i6e s LEU 15 CO 0.00 0.09 0.14 0.26 0.23 0.00 0.00 176.35 177.08 3i6e s TRP 16 N -1.58 -0.09 -0.50 0.29 0.51 -0.27 -4.40 118.94 112.91 3i6e s TRP 16 Ca 0.17 0.27 -0.21 0.00 -2.12 0.00 0.00 56.10 54.21 3i6e s TRP 16 Cb -0.08 -0.41 0.04 0.00 -0.81 0.00 0.00 33.47 32.21 3i6e s TRP 16 CO 0.08 -0.39 0.72 -1.58 -0.51 0.00 0.00 176.95 175.27 3i6e s HIS 17 N 2.25 2.98 0.12 -1.98 5.65 0.66 -0.17 115.29 124.80 3i6e s HIS 17 Ca 0.04 -0.25 0.02 0.00 0.25 0.00 0.00 55.06 55.12 3i6e s HIS 17 Cb -0.14 -3.63 -0.04 0.00 -1.18 0.00 0.00 32.58 27.60 3i6e s HIS 17 CO -0.07 -1.07 0.23 -0.51 -0.65 0.00 0.00 174.74 172.67 3i6e s LEU 18 N 3.04 4.26 -0.31 8.88 1.43 0.11 -0.30 118.68 135.79 3i6e s LEU 18 Ca 0.22 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3i6e s LEU 18 Cb -0.16 -2.85 0.10 0.00 0.03 0.00 0.00 46.19 43.31 3i6e s LEU 18 CO 0.16 0.10 0.07 0.00 0.23 0.00 0.00 176.35 176.91 3i6e s ALA 19 N -1.65 2.05 -0.17 4.21 0.00 -0.46 -1.73 121.76 124.01 3i6e s ALA 19 Ca 0.34 -1.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 3i6e s ALA 19 Cb -0.12 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 3i6e s ALA 19 CO 0.27 -1.63 0.24 -0.51 0.00 0.00 0.00 175.76 174.13 3i6e s LEU 20 N 1.35 4.23 0.54 0.00 1.43 0.14 -4.85 118.68 121.51 3i6e s LEU 20 Ca 0.09 0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 53.41 3i6e s LEU 20 Cb -0.18 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 3i6e s LEU 20 CO -0.17 0.12 1.07 -2.16 0.23 0.00 0.00 176.35 175.44 3i6e s PRO 21 N 0.45 3.51 0.20 1.29 0.04 -1.26 -0.81 135.00 138.42 3i6e s PRO 21 Ca 0.14 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3i6e s PRO 21 Cb -0.12 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3i6e s PRO 21 CO 0.02 -0.68 0.00 1.33 0.04 0.00 0.00 177.00 177.71 3i6e n VAL 22 N -1.39 0.53 0.00 -0.36 0.24 -1.26 -1.28 118.33 114.80 3i6e n VAL 22 Ca 0.10 0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 3i6e n VAL 22 Cb 0.52 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 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 -2.19 3.50 0.14 0.00 2.02 -1.26 0.24 118.70 121.16 3i6e s GLU 38 Ca 0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 54.97 54.69 3i6e s GLU 38 Cb 0.00 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 3i6e s GLU 38 CO 0.00 0.61 0.15 0.96 0.02 0.00 0.00 175.26 177.00 3i6e s ILE 39 N -0.58 0.09 -0.12 -1.63 -4.36 -0.70 -4.48 121.20 109.42 3i6e s ILE 39 Ca 0.11 -1.68 0.03 0.00 -0.26 0.00 0.00 60.65 58.85 3i6e s ILE 39 Cb -0.12 -1.94 0.01 0.00 1.25 0.00 0.00 42.46 41.66 3i6e s ILE 39 CO 0.02 -0.41 -0.21 -0.69 0.24 0.00 0.00 174.94 173.89 3i6e s VAL 40 N -4.01 1.95 -0.08 8.37 1.01 -0.13 0.08 120.40 127.58 3i6e s VAL 40 Ca 0.21 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3i6e s VAL 40 Cb 0.06 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3i6e s VAL 40 CO 0.01 0.53 0.02 -0.69 0.00 0.00 0.00 175.10 174.97 3i6e s VAL 41 N 0.70 4.47 0.00 2.92 1.01 0.76 -0.71 120.40 129.56 3i6e s VAL 41 Ca -0.11 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3i6e s VAL 41 Cb -0.16 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3i6e s VAL 41 CO 0.01 0.59 -0.24 -0.22 0.00 0.00 0.00 175.10 175.24 3i6e s LEU 42 N -0.96 2.19 -0.06 3.92 2.96 0.72 -1.11 118.68 126.33 3i6e s LEU 42 Ca 0.14 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3i6e s LEU 42 Cb -0.11 -1.36 0.02 0.00 0.50 0.00 0.00 46.19 45.23 3i6e s LEU 42 CO 0.03 0.30 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.66 3i6e s ARG 43 N -0.87 1.45 -0.05 1.98 3.52 0.17 -1.28 118.95 123.88 3i6e s ARG 43 Ca 0.11 -0.32 0.05 0.00 -0.13 0.00 0.00 55.73 55.44 3i6e s ARG 43 Cb -0.10 -1.26 -0.02 0.00 -1.56 0.00 0.00 34.95 32.01 3i6e s ARG 43 CO 0.00 -0.02 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.78 3i6e s LEU 44 N 0.78 2.43 -0.10 -0.88 1.43 0.69 -0.99 118.68 122.04 3i6e s LEU 44 Ca -0.13 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3i6e s LEU 44 Cb -0.15 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 3i6e s LEU 44 CO 0.02 0.30 -0.24 -0.69 0.23 0.00 0.00 176.35 175.97 3i6e s VAL 45 N -0.48 2.05 0.23 -1.59 1.01 -0.53 -0.39 120.40 120.70 3i6e s VAL 45 Ca 0.06 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3i6e s VAL 45 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3i6e s VAL 45 CO 0.01 0.56 0.44 0.00 0.00 0.00 0.00 175.10 176.11 3i6e s ALA 46 N 0.31 3.78 0.33 5.51 0.00 -0.44 -0.52 121.76 130.73 3i6e s ALA 46 Ca -0.18 -0.77 0.11 0.00 0.00 0.00 0.00 51.96 51.12 3i6e s ALA 46 Cb -0.18 -2.07 0.96 0.00 0.00 0.00 0.00 23.12 21.84 3i6e s ALA 46 CO 0.09 0.37 1.69 0.93 0.00 0.00 0.00 175.76 178.83 3i6e h GLU 47 N 1.86 0.40 0.00 0.00 5.08 -1.62 0.62 114.58 120.92 3i6e h GLU 47 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3i6e h GLU 47 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3i6e h GLU 47 CO 0.67 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 179.35 3i6e n GLY 48 N -1.31 -0.90 0.00 -3.84 0.00 -1.26 -4.87 105.19 93.02 3i6e n GLY 48 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.01 3.22 3.63 -0.02 0.00 0.22 -5.07 105.19 107.17 3i6e n GLY 49 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3i6e n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e n ALA 50 N -1.52 0.22 -2.55 4.61 0.00 -1.26 -4.67 120.51 115.34 3i6e n ALA 50 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 3i6e n ALA 50 Cb 0.00 -2.15 -0.14 0.00 0.00 0.00 0.00 19.45 17.16 3i6e n ALA 50 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i6e s GLU 51 N -3.05 1.21 -0.04 0.00 2.02 -1.26 -1.32 118.70 116.25 3i6e s GLU 51 Ca 0.77 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 55.11 3i6e s GLU 51 Cb -0.39 -1.21 -0.00 0.00 0.10 0.00 0.00 34.13 32.63 3i6e s GLU 51 CO 0.46 0.32 -0.18 0.20 0.02 0.00 0.00 175.26 176.08 3i6e s GLY 52 N -0.74 0.97 0.13 -1.39 0.00 0.48 -4.38 107.32 102.37 3i6e s GLY 52 Ca 0.05 -0.74 0.08 0.00 0.00 0.00 0.00 44.72 44.12 3i6e s GLY 52 CO 0.00 -0.40 -0.13 -1.36 0.00 0.00 0.00 173.10 171.20 3i6e s PHE 53 N -0.01 2.63 -0.04 1.90 0.08 -1.26 -0.22 117.98 121.05 3i6e s PHE 53 Ca -0.03 -0.22 -0.14 0.00 0.12 0.00 0.00 56.93 56.66 3i6e s PHE 53 Cb -0.12 -1.36 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 3i6e s PHE 53 CO 0.02 0.43 0.32 0.20 -0.10 0.00 0.00 175.22 176.09 3i6e s GLY 54 N -2.32 -0.18 -0.03 4.36 0.00 -0.40 -2.93 107.32 105.81 3i6e s GLY 54 Ca 0.21 0.47 0.07 0.00 0.00 0.00 0.00 44.72 45.47 3i6e s GLY 54 CO 0.12 0.28 -0.24 1.85 0.00 0.00 0.00 173.10 175.12 3i6e s GLU 55 N -0.98 2.22 -0.15 2.90 2.12 -1.26 -0.20 118.70 123.35 3i6e s GLU 55 Ca -0.10 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.34 3i6e s GLU 55 Cb -0.05 -2.11 -0.00 0.00 0.26 0.00 0.00 34.13 32.23 3i6e s GLU 55 CO 0.03 0.55 -0.16 0.00 -0.54 0.00 0.00 175.26 175.15 3i6e s ALA 56 N -0.59 2.48 -0.66 6.30 0.00 0.11 -3.72 121.76 125.68 3i6e s ALA 56 Ca 0.09 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.05 3i6e s ALA 56 Cb -0.10 -1.21 0.19 0.00 0.00 0.00 0.00 23.12 21.99 3i6e s ALA 56 CO -0.00 -0.03 0.53 0.43 0.00 0.00 0.00 175.76 176.68 3i6e n SER 57 N 4.06 2.73 -4.77 0.00 7.64 -1.26 -0.96 113.62 121.06 3i6e n SER 57 Ca -0.19 -3.16 -0.41 0.00 1.01 0.00 0.00 58.87 56.13 3i6e n SER 57 Cb 0.52 -0.72 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.50 4.39 -0.42 1.43 0.02 -1.26 -4.58 135.00 133.08 3i6e s PRO 58 Ca 0.29 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.48 3i6e s PRO 58 Cb 0.01 -3.09 0.11 0.00 0.02 0.00 0.00 34.50 31.55 3i6e s PRO 58 CO -0.14 -0.14 0.18 -0.46 -0.33 0.00 0.00 177.00 176.10 3i6e s TRP 59 N -1.09 3.58 0.16 6.54 -0.11 -1.12 -4.78 118.94 122.13 3i6e s TRP 59 Ca 0.49 -2.81 -0.07 0.00 1.22 0.00 0.00 56.10 54.93 3i6e s TRP 59 Cb -0.39 -3.04 0.24 0.00 -1.50 0.00 0.00 33.47 28.78 3i6e s TRP 59 CO 0.51 -0.91 0.98 0.00 -4.62 0.00 0.00 176.95 172.91 3i6e n ALA 60 N 4.10 0.06 0.53 5.86 0.00 -0.76 -0.18 120.51 130.12 3i6e n ALA 60 Ca 0.03 0.67 0.13 0.00 0.00 0.00 0.00 53.44 54.26 3i6e n ALA 60 Cb 0.40 -0.36 0.44 0.00 0.00 0.00 0.00 19.45 19.93 3i6e n ALA 60 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i6e n VAL 61 N -4.99 0.69 0.00 0.00 0.24 -1.26 -3.92 118.33 109.10 3i6e n VAL 61 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i6e n VAL 61 Cb 0.29 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 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 -2.28 0.00 0.12 6.34 3.72 0.74 -4.90 117.46 121.20 3i6e n PHE 62 Ca 0.04 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.25 3i6e n PHE 62 Cb 0.35 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.00 1.42 0.00 4.37 1.35 -1.54 -3.49 112.91 115.02 3i6e h THR 63 Ca 0.00 -2.92 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 3i6e h THR 63 Cb 0.00 2.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3i6e h THR 63 CO 0.00 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 3i6e n GLY 64 N 1.57 0.43 3.93 5.82 0.00 -1.09 -4.56 105.19 111.29 3i6e n GLY 64 Ca -0.11 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 43.92 3i6e n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i6e s THR 65 N -1.35 5.05 0.34 2.61 -4.23 -1.26 -1.84 115.64 114.96 3i6e s THR 65 Ca 0.00 -0.26 0.08 0.00 -1.18 0.00 0.00 61.69 60.33 3i6e s THR 65 Cb 0.00 -3.86 0.10 0.00 1.34 0.00 0.00 72.50 70.08 3i6e s THR 65 CO 0.00 -0.63 1.81 1.55 -0.54 0.00 0.00 174.62 176.81 3i6e h PRO 66 N 0.65 0.23 -0.54 3.99 0.13 -1.94 -2.24 132.00 132.29 3i6e h PRO 66 Ca -0.49 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 3i6e h PRO 66 Cb 1.21 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3i6e h PRO 66 CO 0.62 0.49 0.23 0.93 -0.23 0.00 0.00 178.00 180.03 3i6e h GLU 67 N 0.21 0.79 -0.25 0.86 3.07 -1.99 0.47 114.58 117.74 3i6e h GLU 67 Ca 0.03 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3i6e h GLU 67 Cb 0.59 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3i6e h GLU 67 CO 0.04 0.68 0.14 0.00 -1.40 0.00 0.00 179.01 178.47 3i6e h ALA 68 N 1.07 0.32 -0.20 3.43 0.00 -1.84 -1.82 119.26 120.22 3i6e h ALA 68 Ca 0.18 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3i6e h ALA 68 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i6e h ALA 68 CO -0.02 -0.17 -0.35 0.77 0.00 0.00 0.00 179.25 179.48 3i6e h SER 69 N 0.30 0.44 -0.06 0.00 0.02 -1.25 -1.00 113.55 112.00 3i6e h SER 69 Ca 0.09 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3i6e h SER 69 Cb 0.04 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3i6e h SER 69 CO -0.02 0.77 0.03 0.22 -1.14 0.00 0.00 176.83 176.69 3i6e h TYR 70 N 0.36 0.09 -0.60 3.45 3.20 -0.69 -2.39 116.97 120.40 3i6e h TYR 70 Ca 0.04 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3i6e h TYR 70 Cb 0.80 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 3i6e h TYR 70 CO 0.02 0.18 0.25 0.00 -1.64 0.00 0.00 178.16 176.97 3i6e h ALA 71 N 0.90 0.78 -0.43 1.82 0.00 -1.23 0.98 119.26 122.08 3i6e h ALA 71 Ca 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.86 3i6e h ALA 71 Cb 0.13 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 3i6e h ALA 71 CO -0.00 0.38 -0.11 0.00 0.00 0.00 0.00 179.25 179.52 3i6e h ALA 72 N 1.09 0.27 0.16 0.00 0.00 -1.01 0.61 119.26 120.39 3i6e h ALA 72 Ca 0.20 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3i6e h ALA 72 Cb 0.19 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i6e h ALA 72 CO -0.02 -0.45 -0.08 -0.07 0.00 0.00 0.00 179.25 178.63 3i6e h LEU 73 N -0.01 -0.18 -0.66 0.00 3.38 -1.22 0.22 115.31 116.85 3i6e h LEU 73 Ca 0.20 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3i6e h LEU 73 Cb 0.32 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3i6e h LEU 73 CO -0.44 0.36 0.38 -0.78 0.09 0.00 0.00 178.44 178.04 3i6e h ASP 74 N -0.83 0.58 0.00 -0.43 3.58 -0.66 -1.70 116.42 116.96 3i6e h ASP 74 Ca -0.02 0.02 -0.34 0.00 0.42 0.00 0.00 57.03 57.11 3i6e h ASP 74 Cb 0.53 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 3i6e h ASP 74 CO 0.04 0.38 -2.19 -1.14 -2.88 0.00 0.00 179.24 173.45 3i6e n ARG 75 N -4.76 0.48 0.04 0.28 0.63 0.19 -4.46 116.66 109.06 3i6e n ARG 75 Ca 0.08 0.17 -0.15 0.00 -0.92 0.00 0.00 57.85 57.03 3i6e n ARG 75 Cb 0.15 -1.33 -0.14 0.00 0.45 0.00 0.00 32.46 31.59 3i6e n ARG 75 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3i6e h TYR 76 N -0.47 0.34 0.00 -0.14 0.05 -1.37 -3.39 116.97 111.99 3i6e h TYR 76 Ca -0.51 -0.24 -0.09 0.00 0.05 0.00 0.00 58.73 57.93 3i6e h TYR 76 Cb 1.57 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 39.28 3i6e h TYR 76 CO -0.03 1.32 -1.68 1.28 -1.05 0.00 0.00 178.16 178.00 3i6e n LEU 77 N -3.37 0.40 -0.09 3.88 4.77 0.73 -4.43 117.00 118.88 3i6e n LEU 77 Ca -0.16 0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3i6e n LEU 77 Cb 1.04 0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 42.20 3i6e n LEU 77 CO 0.48 0.06 0.70 -0.09 -1.33 0.00 0.00 177.39 177.21 3i6e h ARG 78 N 0.00 -0.17 -0.04 3.23 2.43 -1.49 -1.02 114.38 117.31 3i6e h ARG 78 Ca -0.11 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3i6e h ARG 78 Cb 1.31 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3i6e h ARG 78 CO 0.01 -0.12 0.05 -1.35 -1.51 0.00 0.00 179.97 177.06 3i6e h PRO 79 N -0.18 0.00 0.00 0.20 0.11 -1.77 -1.85 132.00 128.50 3i6e h PRO 79 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3i6e h PRO 79 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3i6e h PRO 79 CO -0.45 0.00 -0.50 -0.07 -0.21 0.00 0.00 178.00 176.77 3i6e h LEU 80 N 0.00 0.00 0.00 2.35 4.07 -1.44 -3.39 115.31 116.90 3i6e h LEU 80 Ca 0.02 -0.04 -0.42 0.00 0.08 0.00 0.00 57.88 57.52 3i6e h LEU 80 Cb 0.12 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.79 3i6e h LEU 80 CO -0.00 0.02 -2.47 0.52 -1.08 0.00 0.00 178.44 175.43 3i6e n VAL 81 N -2.67 1.46 -1.76 1.22 0.31 -0.77 -4.74 118.33 111.37 3i6e n VAL 81 Ca 0.02 -0.45 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 3i6e n VAL 81 Cb 0.51 -1.66 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 3i6e n VAL 81 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3i6e s ILE 82 N -2.50 2.76 0.00 2.52 1.09 -0.78 -1.71 121.20 122.59 3i6e s ILE 82 Ca -0.36 0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.35 3i6e s ILE 82 Cb 0.12 -3.11 0.00 0.00 -1.06 0.00 0.00 42.46 38.41 3i6e s ILE 82 CO 0.52 -0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.96 3i6e n GLY 83 N 4.23 3.50 3.82 6.18 0.00 0.25 -4.94 105.19 118.22 3i6e n GLY 83 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3i6e n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i6e s ARG 84 N -0.99 3.19 0.29 1.61 1.81 -0.69 -4.60 118.95 119.57 3i6e s ARG 84 Ca 0.00 1.04 -0.25 0.00 -1.72 0.00 0.00 55.73 54.81 3i6e s ARG 84 Cb 0.00 -2.02 -0.09 0.00 -0.45 0.00 0.00 34.95 32.38 3i6e s ARG 84 CO 0.00 -0.90 0.88 1.03 -0.68 0.00 0.00 175.30 175.63 3i6e s ARG 85 N -4.60 4.51 0.34 3.54 0.52 -1.26 -0.07 118.95 121.94 3i6e s ARG 85 Ca 0.60 1.21 0.02 0.00 -0.52 0.00 0.00 55.73 57.04 3i6e s ARG 85 Cb -0.14 -2.85 0.60 0.00 0.52 0.00 0.00 34.95 33.08 3i6e s ARG 85 CO 0.46 0.33 1.98 0.28 0.02 0.00 0.00 175.30 178.37 3i6e h VAL 86 N 2.68 1.17 0.00 3.52 2.07 -1.12 -2.05 116.25 122.52 3i6e h VAL 86 Ca -0.47 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3i6e h VAL 86 Cb 1.19 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3i6e h VAL 86 CO 0.65 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.03 3i6e n GLY 87 N -1.33 -0.90 1.58 2.17 0.00 -0.41 -3.19 105.19 103.11 3i6e n GLY 87 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.29 3.83 -0.26 1.61 8.00 -0.77 -4.63 116.55 123.04 3i6e n ASP 88 Ca 0.09 -2.80 0.04 0.00 0.71 0.00 0.00 54.79 52.83 3i6e n ASP 88 Cb 0.15 -0.67 0.15 0.00 -0.02 0.00 0.00 41.12 40.73 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 1.75 0.08 -0.47 -1.24 2.43 -1.75 -0.55 114.38 114.62 3i6e h ARG 89 Ca 0.18 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 3i6e h ARG 89 Cb 1.80 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 31.28 3i6e h ARG 89 CO 0.50 0.05 0.17 0.28 -1.51 0.00 0.00 179.97 179.46 3i6e h VAL 90 N 0.08 0.86 -0.32 0.20 2.07 -1.92 0.15 116.25 117.35 3i6e h VAL 90 Ca 0.40 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 3i6e h VAL 90 Cb 0.70 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3i6e h VAL 90 CO -0.69 0.06 0.05 0.00 0.02 0.00 0.00 177.57 177.01 3i6e h ALA 91 N 1.31 0.43 -0.03 1.67 0.00 -1.64 -0.43 119.26 120.58 3i6e h ALA 91 Ca 0.22 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3i6e h ALA 91 Cb 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3i6e h ALA 91 CO -0.22 0.13 -0.14 0.82 0.00 0.00 0.00 179.25 179.85 3i6e h ILE 92 N 0.37 0.65 -0.56 0.00 2.04 -0.52 -0.31 117.51 119.18 3i6e h ILE 92 Ca 0.10 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 3i6e h ILE 92 Cb 0.35 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3i6e h ILE 92 CO 0.01 0.00 0.05 0.24 0.00 0.00 0.00 178.15 178.45 3i6e h MET 93 N -0.22 0.92 -0.10 2.37 2.86 -0.67 0.25 114.93 120.34 3i6e h MET 93 Ca 0.06 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3i6e h MET 93 Cb 0.29 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3i6e h MET 93 CO -0.15 0.88 0.02 0.22 1.06 0.00 0.00 176.91 178.94 3i6e h ASP 94 N 0.86 0.02 -0.51 1.22 3.58 -0.72 -2.01 116.42 118.85 3i6e h ASP 94 Ca 0.17 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.54 3i6e h ASP 94 Cb 0.44 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 3i6e h ASP 94 CO 0.02 0.03 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.06 3i6e h GLU 95 N 0.07 0.95 -0.92 0.28 5.08 -0.79 -3.13 114.58 116.12 3i6e h GLU 95 Ca 0.04 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3i6e h GLU 95 Cb 0.03 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 3i6e h GLU 95 CO -0.05 0.95 0.60 0.00 -1.00 0.00 0.00 179.01 179.50 3i6e h ALA 96 N 1.10 1.33 -0.75 3.43 0.00 -0.17 -1.07 119.26 123.13 3i6e h ALA 96 Ca 0.16 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3i6e h ALA 96 Cb 0.53 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3i6e h ALA 96 CO 0.03 0.62 0.49 0.00 0.00 0.00 0.00 179.25 180.39 3i6e h ALA 97 N 1.41 1.62 0.00 0.00 0.00 -1.31 -2.72 119.26 118.26 3i6e h ALA 97 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3i6e h ALA 97 Cb -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3i6e h ALA 97 CO -0.07 0.29 -0.87 0.54 0.00 0.00 0.00 179.25 179.13 3i6e n ARG 98 N -4.47 0.45 0.24 0.00 1.74 -0.78 -4.22 116.66 109.62 3i6e n ARG 98 Ca 0.10 0.09 0.15 0.00 -0.77 0.00 0.00 57.85 57.43 3i6e n ARG 98 Cb 0.17 -1.74 0.54 0.00 -1.02 0.00 0.00 32.46 30.41 3i6e n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i6e h ALA 99 N 2.26 1.00 -2.33 7.54 0.00 -0.88 -3.44 119.26 123.40 3i6e h ALA 99 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3i6e h ALA 99 Cb 0.87 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.43 3i6e h ALA 99 CO 0.00 0.00 -0.07 0.54 0.00 0.00 0.00 179.25 179.72 3i6e s VAL 100 N -3.51 -0.00 0.43 0.00 0.11 -1.24 -4.94 120.40 111.25 3i6e s VAL 100 Ca 0.03 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.86 3i6e s VAL 100 Cb 0.08 -0.81 -0.08 0.00 -1.53 0.00 0.00 36.38 34.04 3i6e s VAL 100 CO 0.56 0.01 1.12 0.00 -3.33 0.00 0.00 175.10 173.45 3i6e s ALA 101 N 0.76 3.04 0.00 1.54 0.00 -1.26 -4.84 121.76 121.00 3i6e s ALA 101 Ca -0.04 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.76 3i6e s ALA 101 Cb -0.05 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3i6e s ALA 101 CO -0.06 -0.46 0.00 0.72 0.00 0.00 0.00 175.76 175.97 3i6e n HIS 102 N -0.27 0.00 -3.85 0.00 8.25 -1.26 -4.87 115.22 113.21 3i6e n HIS 102 Ca 0.06 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.27 3i6e n HIS 102 Cb 0.49 0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.64 3i6e n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i6e h THR 104 N -1.89 0.00 -0.24 0.00 1.35 -1.87 -2.03 112.91 108.24 3i6e h THR 104 Ca -0.61 -0.37 -0.18 0.00 -0.55 0.00 0.00 66.41 64.70 3i6e h THR 104 Cb 1.37 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3i6e h THR 104 CO 0.62 0.00 -0.54 -0.33 -0.25 0.00 0.00 175.52 175.02 3i6e h GLU 105 N 0.00 0.79 -0.20 4.72 3.07 -1.82 -1.09 114.58 120.04 3i6e h GLU 105 Ca 0.00 -0.53 -0.11 0.00 -0.50 0.00 0.00 59.36 58.23 3i6e h GLU 105 Cb 0.39 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3i6e h GLU 105 CO 0.00 1.15 -0.33 0.00 -1.40 0.00 0.00 179.01 178.43 3i6e h ALA 106 N 0.63 1.05 -0.23 3.43 0.00 -1.73 -1.14 119.26 121.28 3i6e h ALA 106 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3i6e h ALA 106 Cb 1.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3i6e h ALA 106 CO 0.12 0.58 -0.45 0.87 0.00 0.00 0.00 179.25 180.37 3i6e h LYS 107 N 0.36 0.58 -0.41 0.00 1.57 -1.24 -1.51 116.57 115.93 3i6e h LYS 107 Ca 0.04 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.39 3i6e h LYS 107 Cb 0.76 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3i6e h LYS 107 CO 0.06 0.92 -0.22 0.00 -0.57 0.00 0.00 179.45 179.64 3i6e h ALA 108 N 1.03 0.85 -0.64 3.86 0.00 -0.91 -1.53 119.26 121.93 3i6e h ALA 108 Ca 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3i6e h ALA 108 Cb 0.97 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3i6e h ALA 108 CO 0.09 0.64 0.21 0.00 0.00 0.00 0.00 179.25 180.19 3i6e h ALA 109 N 1.05 0.83 -0.32 0.00 0.00 -0.95 -0.49 119.26 119.37 3i6e h ALA 109 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3i6e h ALA 109 Cb 0.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i6e h ALA 109 CO 0.06 0.49 0.02 1.25 0.00 0.00 0.00 179.25 181.07 3i6e h LEU 110 N 0.91 0.55 -0.86 0.00 5.85 -1.04 -1.67 115.31 119.05 3i6e h LEU 110 Ca 0.21 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3i6e h LEU 110 Cb 0.27 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3i6e h LEU 110 CO -0.01 0.70 0.56 -0.78 -0.34 0.00 0.00 178.44 178.58 3i6e h ASP 111 N 0.37 0.99 -0.41 1.25 3.58 -1.07 -0.47 116.42 120.66 3i6e h ASP 111 Ca 0.09 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 3i6e h ASP 111 Cb 0.41 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 3i6e h ASP 111 CO 0.01 0.72 0.21 0.28 -2.88 0.00 0.00 179.24 177.58 3i6e h SER 112 N 1.16 0.53 -0.60 2.28 0.02 -0.91 -1.24 113.55 114.79 3i6e h SER 112 Ca 0.31 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3i6e h SER 112 Cb -0.13 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3i6e h SER 112 CO -0.07 0.49 0.06 0.00 -1.14 0.00 0.00 176.83 176.17 3i6e h ALA 113 N 1.06 0.80 -0.61 3.77 0.00 -0.95 0.12 119.26 123.45 3i6e h ALA 113 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3i6e h ALA 113 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3i6e h ALA 113 CO -0.02 0.59 0.22 -0.07 0.00 0.00 0.00 179.25 179.97 3i6e h LEU 114 N 0.92 0.86 -0.28 0.00 3.38 -0.90 0.25 115.31 119.54 3i6e h LEU 114 Ca 0.18 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3i6e h LEU 114 Cb 0.48 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3i6e h LEU 114 CO 0.02 0.81 -0.47 -0.07 0.09 0.00 0.00 178.44 178.82 3i6e h LEU 115 N 0.86 0.91 -0.11 1.67 3.38 -1.08 -0.65 115.31 120.29 3i6e h LEU 115 Ca 0.20 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3i6e h LEU 115 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3i6e h LEU 115 CO -0.01 1.26 0.06 -0.78 0.09 0.00 0.00 178.44 179.05 3i6e h ASP 116 N 0.59 0.14 -0.46 -0.43 3.58 -0.55 0.91 116.42 120.19 3i6e h ASP 116 Ca 0.02 -0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.41 3i6e h ASP 116 Cb 1.08 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.06 3i6e h ASP 116 CO 0.11 0.19 0.24 0.25 -2.88 0.00 0.00 179.24 177.15 3i6e h LEU 117 N 0.07 0.37 -0.80 2.28 5.85 -0.47 -1.08 115.31 121.53 3i6e h LEU 117 Ca 0.04 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3i6e h LEU 117 Cb 0.09 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3i6e h LEU 117 CO -0.01 0.26 0.11 0.00 -0.34 0.00 0.00 178.44 178.46 3i6e h ALA 118 N 1.23 1.01 -0.08 1.25 0.00 -0.86 -1.85 119.26 119.96 3i6e h ALA 118 Ca 0.19 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3i6e h ALA 118 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i6e h ALA 118 CO -0.12 0.63 -0.30 0.78 0.00 0.00 0.00 179.25 180.24 3i6e h GLY 119 N 1.04 0.16 0.76 0.00 0.00 -0.37 -1.60 103.07 103.06 3i6e h GLY 119 Ca 0.19 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 3i6e h GLY 119 CO 0.01 0.11 -0.26 3.21 0.00 0.00 0.00 176.54 179.61 3i6e h ARG 120 N 0.13 0.40 -0.36 4.80 2.47 -0.85 0.69 114.38 121.66 3i6e h ARG 120 Ca 0.02 -0.26 0.01 0.00 -1.26 0.00 0.00 59.98 58.49 3i6e h ARG 120 Cb 0.60 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.93 3i6e h ARG 120 CO 0.04 0.86 0.22 0.82 0.56 0.00 0.00 179.97 182.47 3i6e h ILE 121 N -0.01 1.05 -0.28 2.04 1.08 -1.10 -2.80 117.51 117.49 3i6e h ILE 121 Ca 0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 3i6e h ILE 121 Cb 0.85 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 3i6e h ILE 121 CO 0.06 0.08 0.00 -1.54 -0.69 0.00 0.00 178.15 176.06 3i6e n SER 122 N -4.87 2.51 -3.43 1.72 3.41 -0.62 -4.96 113.62 107.37 3i6e n SER 122 Ca 0.00 -1.86 -0.18 0.00 -0.26 0.00 0.00 58.87 56.58 3i6e n SER 122 Cb 0.05 -0.18 0.08 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.88 -3.00 -4.01 4.04 4.05 -0.19 -5.02 115.26 112.00 3i6e n ASN 123 Ca 0.17 -0.68 -0.12 0.00 0.45 0.00 0.00 54.58 54.41 3i6e n ASN 123 Cb 0.45 -4.96 -0.12 0.00 1.23 0.00 0.00 39.78 36.39 3i6e n ASN 123 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3i6e s LEU 124 N -6.20 2.21 0.58 1.20 1.43 0.22 -4.83 118.68 113.30 3i6e s LEU 124 Ca 0.11 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 3i6e s LEU 124 Cb -0.02 -0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 3i6e s LEU 124 CO 0.75 -0.20 1.06 -2.16 0.23 0.00 0.00 176.35 176.03 3i6e s PRO 125 N -1.31 3.34 0.33 1.29 0.04 -1.20 -0.08 135.00 137.42 3i6e s PRO 125 Ca -0.10 1.27 0.04 0.00 0.04 0.00 0.00 61.00 62.25 3i6e s PRO 125 Cb -0.09 -2.03 0.67 0.00 0.04 0.00 0.00 34.50 33.10 3i6e s PRO 125 CO -0.00 -0.80 1.91 0.28 0.04 0.00 0.00 177.00 178.43 3i6e h VAL 126 N 0.62 0.99 0.00 -0.36 2.07 -1.47 -1.44 116.25 116.66 3i6e h VAL 126 Ca -0.47 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3i6e h VAL 126 Cb 1.23 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3i6e h VAL 126 CO 0.57 0.16 -0.03 4.11 0.02 0.00 0.00 177.57 182.40 3i6e h TRP 127 N 0.85 0.00 0.00 1.57 5.08 -1.87 0.16 115.95 121.74 3i6e h TRP 127 Ca 0.38 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.35 3i6e h TRP 127 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 3i6e h TRP 127 CO -0.00 0.03 0.00 0.00 -1.28 0.00 0.00 178.44 177.18 3i6e n ALA 128 N -2.45 1.74 0.99 0.11 0.00 -0.54 -1.39 120.51 118.96 3i6e n ALA 128 Ca -0.03 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3i6e n ALA 128 Cb 0.11 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.28 3i6e n ALA 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i6e n LEU 129 N -1.95 2.64 -0.59 0.00 4.77 0.55 -4.26 117.00 118.15 3i6e n LEU 129 Ca 0.03 -0.92 0.09 0.00 -0.03 0.00 0.00 56.01 55.18 3i6e n LEU 129 Cb 0.23 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.53 3i6e n LEU 129 CO 0.19 0.45 0.65 0.18 -1.33 0.00 0.00 177.39 177.54 3i6e n LEU 130 N 0.86 3.29 0.00 2.23 4.77 -0.67 -4.93 117.00 122.54 3i6e n LEU 130 Ca 0.12 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 3i6e n LEU 130 Cb 0.55 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3i6e n LEU 130 CO 0.19 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3i6e n GLY 131 N -0.72 0.79 0.00 -0.72 0.00 -1.21 -4.89 105.19 98.44 3i6e n GLY 131 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.93 -0.91 3.50 -0.02 0.00 -0.49 -5.02 105.19 101.32 3i6e n GLY 132 Ca 0.00 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 3i6e n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i6e s LYS 133 N 0.00 2.29 0.00 1.61 2.20 -1.26 -3.97 119.74 120.61 3i6e s LYS 133 Ca 0.00 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 3i6e s LYS 133 Cb 0.00 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 3i6e s LYS 133 CO 0.00 0.57 0.13 0.00 -0.36 0.00 0.00 175.35 175.70 3i6e s ARG 135 N -0.63 0.89 0.08 0.00 1.70 -1.24 -5.03 118.95 114.73 3i6e s ARG 135 Ca 0.00 0.41 0.22 0.00 -0.47 0.00 0.00 55.73 55.89 3i6e s ARG 135 Cb 0.00 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.72 3i6e s ARG 135 CO 0.00 -0.23 0.87 -0.25 -1.08 0.00 0.00 175.30 174.62 3i6e n ASP 136 N 1.59 0.52 -4.01 -2.89 8.00 -1.26 -4.83 116.55 113.67 3i6e n ASP 136 Ca -0.18 0.03 -0.08 0.00 0.71 0.00 0.00 54.79 55.27 3i6e n ASP 136 Cb 0.56 1.03 -0.09 0.00 -0.02 0.00 0.00 41.12 42.60 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 -3.35 0.17 -0.06 -3.53 -4.23 -1.26 -0.89 115.64 102.49 3i6e s THR 137 Ca -0.01 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 3i6e s THR 137 Cb 0.13 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.44 3i6e s THR 137 CO 0.83 -0.76 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.46 3i6e s ILE 138 N -3.92 0.65 0.25 2.99 1.01 -0.28 -4.93 121.20 116.97 3i6e s ILE 138 Ca 0.09 -0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.27 3i6e s ILE 138 Cb 0.06 -0.68 -0.12 0.00 0.01 0.00 0.00 42.46 41.74 3i6e s ILE 138 CO -0.08 0.26 1.66 -2.65 0.00 0.00 0.00 174.94 174.13 3i6e n PRO 139 N 4.25 2.74 -3.81 2.79 -0.02 -1.26 -0.07 135.00 139.62 3i6e n PRO 139 Ca -0.21 0.98 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 3i6e n PRO 139 Cb 0.51 -2.80 -0.06 0.00 -0.02 0.00 0.00 33.50 31.13 3i6e n PRO 139 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6e s LEU 140 N 0.33 4.39 -0.01 2.45 2.96 -0.95 -1.21 118.68 126.64 3i6e s LEU 140 Ca 0.70 0.52 0.08 0.00 -0.22 0.00 0.00 54.13 55.20 3i6e s LEU 140 Cb -0.50 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 3i6e s LEU 140 CO 0.40 0.32 -0.24 -0.55 -1.32 0.00 0.00 176.35 174.97 3i6e s SER 141 N -1.43 2.80 -0.07 3.68 0.15 0.31 -3.60 113.70 115.55 3i6e s SER 141 Ca 0.22 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.46 3i6e s SER 141 Cb -0.13 -0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 63.86 3i6e s SER 141 CO 0.12 0.28 -0.18 0.00 1.20 0.00 0.00 173.24 174.65 3i6e s SER 143 N -0.28 7.32 -0.42 0.00 0.01 -1.26 -1.42 113.70 117.65 3i6e s SER 143 Ca 0.01 1.78 -0.03 0.00 1.31 0.00 0.00 55.95 59.02 3i6e s SER 143 Cb -0.13 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.66 3i6e s SER 143 CO 0.03 -0.03 0.22 -0.63 0.41 0.00 0.00 173.24 173.23 3i6e s ILE 144 N -1.57 3.31 -0.01 1.44 -1.09 0.27 -4.87 121.20 118.68 3i6e s ILE 144 Ca 0.48 -2.13 0.01 0.00 -2.23 0.00 0.00 60.65 56.79 3i6e s ILE 144 Cb -0.19 -3.26 0.02 0.00 -1.58 0.00 0.00 42.46 37.44 3i6e s ILE 144 CO 0.24 -0.71 0.73 0.00 -1.23 0.00 0.00 174.94 173.97 3i6e n ALA 145 N 4.51 1.46 -2.37 9.38 0.00 -1.26 -1.29 120.51 130.93 3i6e n ALA 145 Ca -0.01 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 3i6e n ALA 145 Cb 0.41 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.54 7.02 0.58 0.00 3.84 -1.26 -4.88 114.94 119.70 3i6e s ASN 146 Ca 0.02 2.08 0.28 0.00 0.21 0.00 0.00 52.86 55.44 3i6e s ASN 146 Cb 0.02 -2.58 1.71 0.00 -0.55 0.00 0.00 41.25 39.85 3i6e s ASN 146 CO 0.00 -0.51 2.20 -0.65 -2.79 0.00 0.00 177.10 175.35 3i6e h PRO 147 N 6.83 0.00 -4.10 0.43 0.11 -2.00 -3.29 132.00 129.97 3i6e h PRO 147 Ca -0.41 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 64.93 3i6e h PRO 147 Cb 1.21 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.08 3i6e h PRO 147 CO 0.82 0.00 -0.15 0.34 -0.21 0.00 0.00 178.00 178.81 3i6e s ASP 148 N -6.16 6.28 0.44 -2.05 2.15 -1.26 -4.94 116.67 111.13 3i6e s ASP 148 Ca -0.05 -1.90 0.10 0.00 0.43 0.00 0.00 52.55 51.13 3i6e s ASP 148 Cb 0.15 -2.22 0.99 0.00 -0.30 0.00 0.00 42.92 41.55 3i6e s ASP 148 CO 0.56 -0.83 2.08 0.15 -0.17 0.00 0.00 175.17 176.96 3i6e h PHE 149 N 8.74 0.36 -0.54 -5.34 3.57 -1.99 -1.78 116.94 119.95 3i6e h PHE 149 Ca -0.24 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.32 3i6e h PHE 149 Cb 1.09 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 3i6e h PHE 149 CO 0.78 0.23 0.36 -0.44 -2.23 0.00 0.00 178.31 177.01 3i6e h ASP 150 N 0.39 0.47 -0.33 0.41 3.32 -1.92 0.33 116.42 119.09 3i6e h ASP 150 Ca 0.11 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 3i6e h ASP 150 Cb -0.01 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3i6e h ASP 150 CO -0.03 0.31 -0.13 0.00 -1.72 0.00 0.00 179.24 177.68 3i6e h ALA 151 N 1.70 0.98 0.00 3.45 0.00 -1.71 -2.69 119.26 120.98 3i6e h ALA 151 Ca 0.23 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3i6e h ALA 151 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i6e h ALA 151 CO -0.06 0.60 -0.59 -0.44 0.00 0.00 0.00 179.25 178.76 3i6e h ASP 152 N 0.69 0.00 -0.47 0.00 3.32 -1.05 -2.27 116.42 116.64 3i6e h ASP 152 Ca 0.11 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3i6e h ASP 152 Cb 0.61 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3i6e h ASP 152 CO 0.04 0.59 0.10 0.40 -1.72 0.00 0.00 179.24 178.65 3i6e h ILE 153 N 0.00 1.24 -0.43 0.35 2.04 -0.77 0.28 117.51 120.22 3i6e h ILE 153 Ca -0.01 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3i6e h ILE 153 Cb 1.21 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 3i6e h ILE 153 CO 0.08 0.31 0.01 0.00 0.00 0.00 0.00 178.15 178.54 3i6e h ALA 154 N 0.97 1.22 -0.32 1.87 0.00 -1.39 -1.02 119.26 120.59 3i6e h ALA 154 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3i6e h ALA 154 Cb 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i6e h ALA 154 CO 0.00 0.52 0.05 1.25 0.00 0.00 0.00 179.25 181.07 3i6e h LEU 155 N 0.65 0.51 -1.21 0.00 5.85 -0.79 -2.61 115.31 117.71 3i6e h LEU 155 Ca 0.13 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3i6e h LEU 155 Cb 0.39 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3i6e h LEU 155 CO 0.01 0.65 0.02 0.24 -0.34 0.00 0.00 178.44 179.02 3i6e h MET 156 N 0.35 0.56 -0.82 1.25 2.86 0.04 0.28 114.93 119.45 3i6e h MET 156 Ca 0.10 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3i6e h MET 156 Cb 0.36 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3i6e h MET 156 CO 0.01 0.57 0.43 0.93 1.06 0.00 0.00 176.91 179.91 3i6e h GLU 157 N 0.54 1.16 -0.22 1.72 4.39 -1.04 0.76 114.58 121.89 3i6e h GLU 157 Ca 0.12 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 3i6e h GLU 157 Cb 0.32 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3i6e h GLU 157 CO 0.01 0.86 -0.24 -0.09 -1.16 0.00 0.00 179.01 178.39 3i6e h ARG 158 N 1.15 0.55 -0.33 2.33 2.43 -0.95 -2.06 114.38 117.51 3i6e h ARG 158 Ca 0.29 -0.30 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3i6e h ARG 158 Cb 0.06 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3i6e h ARG 158 CO -0.04 0.89 0.15 -0.07 -1.51 0.00 0.00 179.97 179.38 3i6e h LEU 159 N 0.23 0.20 -1.19 3.80 3.38 -0.07 0.12 115.31 121.79 3i6e h LEU 159 Ca 0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3i6e h LEU 159 Cb 0.81 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3i6e h LEU 159 CO 0.06 0.15 0.02 -0.09 0.09 0.00 0.00 178.44 178.68 3i6e h ARG 160 N 0.31 0.58 0.00 1.13 2.43 -0.86 -1.54 114.38 116.43 3i6e h ARG 160 Ca 0.14 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 3i6e h ARG 160 Cb 0.07 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3i6e h ARG 160 CO -0.11 0.59 -0.53 0.00 -1.51 0.00 0.00 179.97 178.40 3i6e h ALA 161 N 1.47 0.99 -0.00 2.80 0.00 -0.61 -2.87 119.26 121.05 3i6e h ALA 161 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i6e h ALA 161 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i6e h ALA 161 CO 0.01 0.67 -0.14 -0.25 0.00 0.00 0.00 179.25 179.53 3i6e n ASP 162 N -3.72 0.50 0.00 0.00 8.00 0.36 -4.93 116.55 116.76 3i6e n ASP 162 Ca -0.01 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.97 3i6e n ASP 162 Cb 0.58 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 1.31 0.74 3.69 0.44 0.00 -0.82 -3.19 105.19 107.37 3i6e n GLY 163 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.56 2.82 -1.67 1.61 1.01 -0.65 -4.01 120.40 116.96 3i6e s VAL 164 Ca 0.00 0.25 0.15 0.00 0.00 0.00 0.00 61.98 62.38 3i6e s VAL 164 Cb 0.00 -3.16 0.23 0.00 0.00 0.00 0.00 36.38 33.45 3i6e s VAL 164 CO 0.00 -0.00 1.12 0.61 0.00 0.00 0.00 175.10 176.83 3i6e n GLY 165 N 4.17 1.06 3.05 4.51 0.00 -1.26 -4.43 105.19 112.29 3i6e n GLY 165 Ca 0.17 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.17 1.99 0.02 0.99 1.43 -1.24 -1.50 118.68 119.20 3i6e s LEU 166 Ca 0.23 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3i6e s LEU 166 Cb 0.14 -0.59 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 3i6e s LEU 166 CO 0.20 0.13 0.00 0.27 0.23 0.00 0.00 176.35 177.18 3i6e s ILE 167 N -0.19 0.11 -0.16 -0.59 -4.36 -1.08 -1.96 121.20 112.96 3i6e s ILE 167 Ca 0.03 -0.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 3i6e s ILE 167 Cb -0.05 -0.33 0.03 0.00 1.25 0.00 0.00 42.46 43.36 3i6e s ILE 167 CO -0.00 -0.49 -0.11 -0.75 0.24 0.00 0.00 174.94 173.83 3i6e s LYS 168 N -1.52 1.96 -0.19 0.37 2.20 -0.51 -1.56 119.74 120.48 3i6e s LYS 168 Ca -0.15 -0.58 -0.28 0.00 -0.36 0.00 0.00 55.97 54.60 3i6e s LYS 168 Cb -0.09 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 3i6e s LYS 168 CO -0.01 -0.33 0.99 -1.17 -0.36 0.00 0.00 175.35 174.48 3i6e s LEU 169 N 1.52 4.14 -0.26 5.43 2.96 0.32 -0.57 118.68 132.23 3i6e s LEU 169 Ca 0.03 1.36 -0.28 0.00 -0.22 0.00 0.00 54.13 55.02 3i6e s LEU 169 Cb -0.14 -3.48 0.01 0.00 0.50 0.00 0.00 46.19 43.08 3i6e s LEU 169 CO -0.09 -0.57 1.01 -0.75 -1.32 0.00 0.00 176.35 174.63 3i6e s LYS 170 N 2.76 4.19 0.39 1.98 2.20 -0.41 -1.24 119.74 129.60 3i6e s LYS 170 Ca 0.44 1.20 0.08 0.00 -0.36 0.00 0.00 55.97 57.32 3i6e s LYS 170 Cb -0.16 -3.67 -0.07 0.00 -1.51 0.00 0.00 37.83 32.42 3i6e s LYS 170 CO 0.10 -0.69 0.03 0.95 -0.36 0.00 0.00 175.35 175.38 3i6e s THR 171 N 3.26 2.20 0.00 3.43 -4.23 -0.37 -4.79 115.64 115.13 3i6e s THR 171 Ca 0.43 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 3i6e s THR 171 Cb -0.14 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3i6e s THR 171 CO 0.09 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3i6e n GLY 172 N -1.00 2.50 0.01 3.99 0.00 -1.26 -4.31 105.19 105.13 3i6e n GLY 172 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3i6e n GLY 172 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i6e n PHE 173 N -2.00 0.00 -3.65 1.61 1.16 -1.26 -4.79 117.46 108.53 3i6e n PHE 173 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3i6e n PHE 173 Cb 0.00 -0.39 0.00 0.00 -1.61 0.00 0.00 39.48 37.48 3i6e n PHE 173 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3i6e n ARG 174 N -1.39 0.63 -1.29 3.97 1.74 -1.26 -5.15 116.66 113.91 3i6e n ARG 174 Ca 0.10 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 3i6e n ARG 174 Cb 0.30 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 31.88 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 -0.31 3.35 0.29 0.55 1.47 -1.26 -4.95 116.67 115.82 3i6e s ASP 175 Ca 0.00 1.30 -0.01 0.00 1.18 0.00 0.00 52.55 55.01 3i6e s ASP 175 Cb 0.00 -1.97 0.44 0.00 -0.34 0.00 0.00 42.92 41.06 3i6e s ASP 175 CO 0.00 -2.69 1.90 -0.74 0.68 0.00 0.00 175.17 174.32 3i6e h HIS 176 N -1.59 0.93 -0.96 2.11 -0.00 -2.01 -2.74 115.15 110.89 3i6e h HIS 176 Ca -0.51 -0.03 0.07 0.00 -0.00 0.00 0.00 60.37 59.90 3i6e h HIS 176 Cb 1.30 -0.29 -0.07 0.00 -0.00 0.00 0.00 27.41 28.35 3i6e h HIS 176 CO 0.37 0.67 0.61 0.00 -0.00 0.00 0.00 177.93 179.58 3i6e h ALA 177 N 1.43 1.33 -0.35 5.26 0.00 -1.99 -1.26 119.26 123.68 3i6e h ALA 177 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3i6e h ALA 177 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3i6e h ALA 177 CO -0.03 0.39 0.13 0.35 0.00 0.00 0.00 179.25 180.09 3i6e h PHE 178 N 1.11 0.48 -0.14 0.00 3.57 -1.85 0.11 116.94 120.22 3i6e h PHE 178 Ca 0.42 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.77 3i6e h PHE 178 Cb 0.18 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3i6e h PHE 178 CO -0.01 0.39 -0.43 -0.44 -2.23 0.00 0.00 178.31 175.59 3i6e h ASP 179 N 0.49 0.62 -0.58 0.41 3.32 -1.28 -2.88 116.42 116.52 3i6e h ASP 179 Ca 0.12 -0.60 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 3i6e h ASP 179 Cb 0.11 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3i6e h ASP 179 CO -0.01 1.11 0.15 0.40 -1.72 0.00 0.00 179.24 179.17 3i6e h ILE 180 N 0.17 1.25 -0.30 0.35 1.08 -0.96 -1.90 117.51 117.19 3i6e h ILE 180 Ca -0.01 -0.87 0.05 0.00 -0.39 0.00 0.00 64.86 63.64 3i6e h ILE 180 Cb 1.05 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 35.46 3i6e h ILE 180 CO 0.09 0.32 -0.01 -0.03 -0.69 0.00 0.00 178.15 177.83 3i6e h MET 181 N 0.83 0.07 -0.51 2.37 4.05 -0.80 -0.95 114.93 119.98 3i6e h MET 181 Ca 0.18 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.49 3i6e h MET 181 Cb 0.33 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 3i6e h MET 181 CO -0.00 0.05 -0.11 0.00 0.23 0.00 0.00 176.91 177.08 3i6e h ARG 182 N 0.07 0.98 -0.72 0.39 3.08 -1.39 -2.35 114.38 114.44 3i6e h ARG 182 Ca 0.14 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3i6e h ARG 182 Cb 0.20 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3i6e h ARG 182 CO -0.25 1.04 0.46 -0.07 -1.07 0.00 0.00 179.97 180.07 3i6e h LEU 183 N 0.84 0.84 -0.52 3.04 3.38 -0.96 -1.26 115.31 120.68 3i6e h LEU 183 Ca 0.13 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3i6e h LEU 183 Cb 0.67 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3i6e h LEU 183 CO 0.05 0.63 -0.11 -0.33 0.09 0.00 0.00 178.44 178.77 3i6e h GLU 184 N 0.98 0.99 -0.50 1.13 5.08 -1.10 -2.10 114.58 119.06 3i6e h GLU 184 Ca 0.26 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 3i6e h GLU 184 Cb -0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3i6e h GLU 184 CO -0.05 1.05 -0.05 1.25 -1.00 0.00 0.00 179.01 180.21 3i6e h LEU 185 N 0.86 0.90 -0.95 1.33 6.46 -1.21 -1.70 115.31 121.01 3i6e h LEU 185 Ca 0.13 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 3i6e h LEU 185 Cb 0.67 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 3i6e h LEU 185 CO 0.05 1.02 0.46 0.40 -0.62 0.00 0.00 178.44 179.74 3i6e h ILE 186 N 0.77 1.25 -0.60 4.05 2.04 -1.15 0.60 117.51 124.47 3i6e h ILE 186 Ca 0.14 -0.64 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 3i6e h ILE 186 Cb 0.58 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3i6e h ILE 186 CO 0.03 0.29 0.01 0.00 0.00 0.00 0.00 178.15 178.48 3i6e h ALA 187 N 1.30 0.89 0.04 1.87 0.00 -1.13 0.69 119.26 122.91 3i6e h ALA 187 Ca 0.30 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3i6e h ALA 187 Cb 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3i6e h ALA 187 CO -0.05 0.66 -0.42 -0.09 0.00 0.00 0.00 179.25 179.35 3i6e h ARG 188 N 0.95 0.21 0.00 0.00 2.43 -0.73 -3.35 114.38 113.89 3i6e h ARG 188 Ca 0.17 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3i6e h ARG 188 Cb 0.54 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3i6e h ARG 188 CO 0.03 1.06 -1.86 -0.25 -1.51 0.00 0.00 179.97 177.44 3i6e n ASP 189 N -4.37 0.14 -2.70 -3.80 8.00 0.20 -4.64 116.55 109.38 3i6e n ASP 189 Ca -0.11 -0.11 -0.17 0.00 0.71 0.00 0.00 54.79 55.11 3i6e n ASP 189 Cb 0.62 1.84 0.01 0.00 -0.02 0.00 0.00 41.12 43.57 3i6e n ASP 189 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i6e n PHE 190 N -2.18 1.98 0.14 1.24 3.72 0.22 -4.90 117.46 117.69 3i6e n PHE 190 Ca -0.03 -3.13 0.06 0.00 -0.05 0.00 0.00 57.45 54.30 3i6e n PHE 190 Cb 0.54 -0.30 0.28 0.00 -0.94 0.00 0.00 39.48 39.06 3i6e n PHE 190 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3i6e n PRO 191 N -0.16 0.07 -0.01 -1.08 -0.04 -1.14 -2.52 135.00 130.10 3i6e n PRO 191 Ca 0.22 0.52 -0.03 0.00 -0.04 0.00 0.00 63.50 64.17 3i6e n PRO 191 Cb 0.71 -1.70 0.20 0.00 -0.04 0.00 0.00 33.50 32.68 3i6e n PRO 191 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i6e h GLU 192 N 0.00 0.56 -6.94 0.54 3.07 -1.90 -3.44 114.58 106.46 3i6e h GLU 192 Ca 0.00 -0.19 -0.48 0.00 -0.50 0.00 0.00 59.36 58.20 3i6e h GLU 192 Cb 0.05 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3i6e h GLU 192 CO 0.00 0.71 0.40 -0.06 -1.40 0.00 0.00 179.01 178.65 3i6e s PHE 193 N -4.66 3.37 0.02 4.33 0.08 -1.05 -4.95 117.98 115.12 3i6e s PHE 193 Ca -0.08 1.67 -0.17 0.00 0.12 0.00 0.00 56.93 58.47 3i6e s PHE 193 Cb 0.14 -3.08 -0.06 0.00 -0.57 0.00 0.00 43.02 39.45 3i6e s PHE 193 CO 0.79 -0.44 0.50 1.03 -0.10 0.00 0.00 175.22 177.00 3i6e s ARG 194 N -2.40 4.11 -0.11 0.44 0.52 -0.56 -4.98 118.95 115.97 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 -0.21 -3.26 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 3i6e s ARG 194 CO 0.27 0.59 -0.09 0.08 0.02 0.00 0.00 175.30 176.17 3i6e s VAL 195 N -0.86 3.49 0.29 3.52 1.01 -1.26 -2.64 120.40 123.95 3i6e s VAL 195 Ca 0.27 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.83 3i6e s VAL 195 Cb -0.18 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3i6e s VAL 195 CO 0.16 0.54 -0.12 -0.13 0.00 0.00 0.00 175.10 175.55 3i6e s ARG 196 N -0.10 1.89 0.03 2.72 3.00 -0.60 -0.07 118.95 125.82 3i6e s ARG 196 Ca 0.00 -1.69 0.05 0.00 0.00 0.00 0.00 55.73 54.09 3i6e s ARG 196 Cb -0.13 -1.88 -0.02 0.00 0.00 0.00 0.00 34.95 32.91 3i6e s ARG 196 CO 0.03 0.30 -0.14 0.08 0.00 0.00 0.00 175.30 175.57 3i6e s VAL 197 N -2.47 1.13 -0.12 3.52 1.01 -0.34 -0.52 120.40 122.61 3i6e s VAL 197 Ca 0.31 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 3i6e s VAL 197 Cb -0.04 -1.01 0.06 0.00 0.00 0.00 0.00 36.38 35.39 3i6e s VAL 197 CO 0.17 0.08 0.17 -0.62 0.00 0.00 0.00 175.10 174.90 3i6e s ASP 198 N -0.97 0.98 0.04 3.32 -1.08 -0.37 -0.13 116.67 118.47 3i6e s ASP 198 Ca 0.03 0.16 0.25 0.00 -0.52 0.00 0.00 52.55 52.47 3i6e s ASP 198 Cb -0.07 0.28 0.57 0.00 -1.46 0.00 0.00 42.92 42.24 3i6e s ASP 198 CO 0.01 -0.27 1.47 -1.22 0.52 0.00 0.00 175.17 175.68 3i6e n TYR 199 N 5.32 0.20 -4.01 -5.34 4.02 -0.64 -1.24 117.16 115.47 3i6e n TYR 199 Ca -0.05 0.06 -0.27 0.00 -0.01 0.00 0.00 57.90 57.63 3i6e n TYR 199 Cb 0.50 -0.43 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.71 -0.39 -0.42 7.72 4.13 -1.20 0.19 115.26 123.58 3i6e n ASN 200 Ca 0.05 -1.03 -0.05 0.00 1.68 0.00 0.00 54.58 55.22 3i6e n ASN 200 Cb 0.37 -2.89 -0.02 0.00 -1.54 0.00 0.00 39.78 35.69 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 -4.42 -1.86 0.14 3.52 6.02 0.11 -4.87 117.38 116.02 3i6e n GLN 201 Ca -0.29 0.68 0.11 0.00 -0.01 0.00 0.00 57.00 57.49 3i6e n GLN 201 Cb 0.67 -5.11 0.51 0.00 1.02 0.00 0.00 30.24 27.33 3i6e n GLN 201 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i6e n GLY 202 N 0.62 -1.14 3.85 1.08 0.00 0.13 -3.97 105.19 105.75 3i6e n GLY 202 Ca -0.05 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3i6e n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 203 N -4.44 4.39 0.56 0.99 1.43 -0.34 -4.89 118.68 116.38 3i6e s LEU 203 Ca 0.02 0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 54.04 3i6e s LEU 203 Cb 0.08 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 3i6e s LEU 203 CO 0.33 0.19 0.89 -1.61 0.23 0.00 0.00 176.35 176.37 3i6e s GLU 204 N -1.66 3.22 0.21 1.70 0.41 -1.26 -4.44 118.70 116.87 3i6e s GLU 204 Ca 0.32 0.19 -0.10 0.00 -0.41 0.00 0.00 54.97 54.97 3i6e s GLU 204 Cb -0.15 -2.27 0.26 0.00 -1.78 0.00 0.00 34.13 30.18 3i6e s GLU 204 CO 0.17 -0.53 1.76 0.82 -0.49 0.00 0.00 175.26 177.00 3i6e h ILE 205 N -0.08 0.83 0.00 -1.63 2.04 -1.98 -1.95 117.51 114.74 3i6e h ILE 205 Ca -0.46 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3i6e h ILE 205 Cb 1.23 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3i6e h ILE 205 CO 0.61 0.09 0.00 -0.90 0.00 0.00 0.00 178.15 177.95 3i6e n ASP 206 N -4.94 0.00 0.00 1.72 5.68 -1.26 -3.15 116.55 114.60 3i6e n ASP 206 Ca 0.08 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.70 3i6e n ASP 206 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3i6e n ASP 206 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i6e n GLU 207 N -0.99 1.95 0.18 0.11 0.28 -0.91 -4.88 120.64 116.39 3i6e n GLU 207 Ca 0.15 -0.13 -0.14 0.00 -0.16 0.00 0.00 57.16 56.88 3i6e n GLU 207 Cb 0.07 -0.51 -0.07 0.00 1.43 0.00 0.00 31.44 32.36 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 -0.64 0.34 -1.84 0.00 -1.32 -2.85 119.26 112.96 3i6e h ALA 208 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i6e h ALA 208 Cb 0.10 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i6e h ALA 208 CO 0.00 -0.90 -0.17 0.28 0.00 0.00 0.00 179.25 178.46 3i6e h VAL 209 N -0.63 0.66 -0.70 0.00 2.07 -1.89 -2.08 116.25 113.68 3i6e h VAL 209 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3i6e h VAL 209 Cb 0.59 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3i6e h VAL 209 CO -0.09 0.00 0.42 1.55 0.02 0.00 0.00 177.57 179.47 3i6e h PRO 210 N -0.47 0.78 -0.21 1.57 0.13 -1.91 -1.54 132.00 130.36 3i6e h PRO 210 Ca -0.05 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 3i6e h PRO 210 Cb 0.36 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 3i6e h PRO 210 CO 0.07 0.52 -0.24 0.00 -0.23 0.00 0.00 178.00 178.13 3i6e h ARG 211 N 0.81 0.53 -0.52 0.86 3.08 -1.52 -2.59 114.38 115.03 3i6e h ARG 211 Ca 0.29 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i6e h ARG 211 Cb 0.08 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3i6e h ARG 211 CO -0.14 0.88 0.32 0.28 -1.07 0.00 0.00 179.97 180.25 3i6e h VAL 212 N 0.21 1.15 -0.65 2.04 2.07 -1.26 -1.09 116.25 118.71 3i6e h VAL 212 Ca 0.03 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3i6e h VAL 212 Cb 0.80 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3i6e h VAL 212 CO 0.06 0.15 0.40 -0.07 0.02 0.00 0.00 177.57 178.13 3i6e h LEU 213 N 0.69 0.67 -0.14 2.57 3.38 -1.30 0.71 115.31 121.90 3i6e h LEU 213 Ca 0.19 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3i6e h LEU 213 Cb -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3i6e h LEU 213 CO -0.04 0.47 0.05 -0.78 0.09 0.00 0.00 178.44 178.24 3i6e h ASP 214 N 0.80 0.19 -0.01 -0.43 1.82 -1.09 -2.84 116.42 114.87 3i6e h ASP 214 Ca 0.26 -0.16 -0.08 0.00 -0.39 0.00 0.00 57.03 56.65 3i6e h ASP 214 Cb -0.00 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 3i6e h ASP 214 CO -0.09 0.30 -0.23 0.58 -1.61 0.00 0.00 179.24 178.19 3i6e h VAL 215 N 0.07 1.25 -0.03 2.25 2.07 -1.01 -2.50 116.25 118.34 3i6e h VAL 215 Ca 0.05 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.42 3i6e h VAL 215 Cb 0.17 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3i6e h VAL 215 CO -0.00 0.36 0.03 0.00 0.02 0.00 0.00 177.57 177.98 3i6e h ALA 216 N 1.41 1.74 -0.11 1.67 0.00 -0.62 -1.55 119.26 121.81 3i6e h ALA 216 Ca 0.06 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3i6e h ALA 216 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i6e h ALA 216 CO 0.04 -0.05 0.08 1.96 0.00 0.00 0.00 179.25 181.29 3i6e h GLN 217 N 0.00 0.00 -0.00 0.00 1.08 -1.28 0.23 115.11 115.14 3i6e h GLN 217 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3i6e h GLN 217 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 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 -4.41 0.00 -3.76 2.96 3.72 -0.58 -4.95 117.46 110.44 3i6e n PHE 218 Ca -0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 3i6e n PHE 218 Cb 0.20 -0.13 0.02 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 -1.08 -2.89 -0.96 -1.08 6.02 0.07 -4.97 117.38 112.49 3i6e n GLN 219 Ca 0.19 0.50 -0.30 0.00 -0.01 0.00 0.00 57.00 57.38 3i6e n GLN 219 Cb 0.18 -4.59 0.16 0.00 1.02 0.00 0.00 30.24 27.02 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 -6.11 0.84 0.40 -1.09 0.04 -1.26 -4.88 135.00 122.93 3i6e s PRO 220 Ca 0.20 1.01 0.07 0.00 0.04 0.00 0.00 61.00 62.32 3i6e s PRO 220 Cb -0.07 -1.75 0.83 0.00 0.04 0.00 0.00 34.50 33.55 3i6e s PRO 220 CO 0.85 -2.59 2.04 -0.44 0.04 0.00 0.00 177.00 176.91 3i6e h ASP 221 N -1.81 0.48 -4.57 6.66 3.32 -0.85 -3.44 116.42 116.20 3i6e h ASP 221 Ca -0.50 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 56.63 3i6e h ASP 221 Cb 1.29 -0.12 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 3i6e h ASP 221 CO 0.51 0.37 0.49 0.72 -1.72 0.00 0.00 179.24 179.60 3i6e s PHE 222 N -5.44 -0.37 -0.19 4.55 -0.12 -1.26 -4.29 117.98 110.86 3i6e s PHE 222 Ca -0.08 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.12 3i6e s PHE 222 Cb 0.17 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 43.09 3i6e s PHE 222 CO 0.74 -0.52 -0.17 0.42 -0.05 0.00 0.00 175.22 175.64 3i6e s ILE 223 N -2.72 2.34 -0.07 -4.49 1.01 -0.18 -1.19 121.20 115.91 3i6e s ILE 223 Ca 0.03 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 3i6e s ILE 223 Cb -0.01 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 3i6e s ILE 223 CO -0.07 0.52 0.34 -0.70 0.00 0.00 0.00 174.94 175.03 3i6e s GLU 224 N 1.29 3.96 0.00 2.79 2.12 0.82 -1.02 118.70 128.66 3i6e s GLU 224 Ca 0.04 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.62 3i6e s GLU 224 Cb -0.13 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.97 3i6e s GLU 224 CO -0.10 0.54 0.00 0.94 -0.54 0.00 0.00 175.26 176.10 3i6e n GLN 225 N 2.45 0.00 0.16 4.30 -0.06 0.30 -1.62 117.38 122.91 3i6e n GLN 225 Ca -0.14 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 54.87 3i6e n GLN 225 Cb 0.53 0.00 0.27 0.00 -4.06 0.00 0.00 30.24 26.97 3i6e n GLN 225 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3i6e h PRO 226 N 0.10 0.00 -5.51 3.69 0.13 -1.88 0.35 132.00 128.88 3i6e h PRO 226 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 3i6e h PRO 226 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 3i6e h PRO 226 CO 0.00 0.49 -0.58 0.14 -0.23 0.00 0.00 178.00 177.82 3i6e s VAL 227 N -3.88 1.71 0.42 1.56 -7.23 -1.26 -1.20 120.40 110.52 3i6e s VAL 227 Ca -0.02 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.91 3i6e s VAL 227 Cb 0.13 -2.78 -0.11 0.00 0.56 0.00 0.00 36.38 34.19 3i6e s VAL 227 CO 0.74 0.00 0.99 0.54 -0.31 0.00 0.00 175.10 177.06 3i6e n ARG 228 N -1.01 1.31 -0.35 4.82 5.12 -1.25 -4.33 116.66 120.96 3i6e n ARG 228 Ca -0.08 0.47 0.24 0.00 -1.93 0.00 0.00 57.85 56.55 3i6e n ARG 228 Cb 0.67 -2.02 0.48 0.00 -1.16 0.00 0.00 32.46 30.44 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 1.50 2.06 0.00 7.54 0.00 -1.92 -0.78 119.26 127.65 3i6e h ALA 229 Ca -0.44 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i6e h ALA 229 Cb 1.34 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3i6e h ALA 229 CO 0.57 -0.61 0.00 -2.39 0.00 0.00 0.00 179.25 176.81 3i6e n HIS 230 N -4.91 0.00 -1.51 0.00 1.44 -1.26 -4.38 115.22 104.60 3i6e n HIS 230 Ca 0.30 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.61 3i6e n HIS 230 Cb 0.97 -0.42 -0.02 0.00 0.12 0.00 0.00 29.99 30.64 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 -1.42 2.83 -0.24 -1.40 8.25 -0.30 -4.68 115.22 118.26 3i6e n HIS 231 Ca 0.09 -3.04 -0.07 0.00 -0.26 0.00 0.00 57.72 54.44 3i6e n HIS 231 Cb 0.27 -2.48 0.04 0.00 1.12 0.00 0.00 29.99 28.94 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 5.35 1.02 -0.23 4.41 -1.00 -1.84 -0.50 116.94 124.14 3i6e h PHE 232 Ca 0.75 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 61.43 3i6e h PHE 232 Cb 0.41 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 3i6e h PHE 232 CO 1.71 0.81 0.07 0.93 -1.61 0.00 0.00 178.31 180.22 3i6e h GLU 233 N 0.95 0.36 -0.36 1.51 5.08 -1.95 -0.76 114.58 119.41 3i6e h GLU 233 Ca 0.22 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 3i6e h GLU 233 Cb 0.22 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3i6e h GLU 233 CO -0.02 0.45 -0.19 1.25 -1.00 0.00 0.00 179.01 179.50 3i6e h LEU 234 N 0.20 0.67 -0.65 1.33 5.85 -1.92 -1.58 115.31 119.22 3i6e h LEU 234 Ca 0.07 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 3i6e h LEU 234 Cb 0.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3i6e h LEU 234 CO -0.00 0.86 0.23 0.24 -0.34 0.00 0.00 178.44 179.43 3i6e h MET 235 N 0.60 0.98 -0.93 1.25 2.86 -0.86 0.45 114.93 119.27 3i6e h MET 235 Ca 0.09 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3i6e h MET 235 Cb 0.65 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 3i6e h MET 235 CO 0.05 0.84 0.62 0.00 1.06 0.00 0.00 176.91 179.48 3i6e h ALA 236 N 1.09 1.19 -0.46 6.32 0.00 -0.75 0.04 119.26 126.69 3i6e h ALA 236 Ca 0.21 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3i6e h ALA 236 Cb 0.25 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3i6e h ALA 236 CO -0.01 0.58 -0.22 0.00 0.00 0.00 0.00 179.25 179.60 3i6e h ARG 237 N 1.26 0.97 -0.51 0.00 3.08 -0.74 -2.92 114.38 115.52 3i6e h ARG 237 Ca 0.34 -0.42 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3i6e h ARG 237 Cb -0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3i6e h ARG 237 CO -0.08 1.09 0.15 -0.07 -1.07 0.00 0.00 179.97 179.99 3i6e h LEU 238 N 0.81 0.70 -1.42 3.04 3.38 -0.34 -2.33 115.31 119.16 3i6e h LEU 238 Ca 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3i6e h LEU 238 Cb 0.80 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3i6e h LEU 238 CO 0.07 0.68 0.19 -0.09 0.09 0.00 0.00 178.44 179.38 3i6e h ARG 239 N 0.74 0.58 -0.00 1.13 2.43 -0.82 -2.39 114.38 116.05 3i6e h ARG 239 Ca 0.17 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3i6e h ARG 239 Cb 0.24 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3i6e h ARG 239 CO -0.01 0.47 -0.00 0.41 -1.51 0.00 0.00 179.97 179.33 3i6e n GLY 240 N -1.24 -1.07 0.14 2.80 0.00 -0.88 -4.03 105.19 100.92 3i6e n GLY 240 Ca 0.03 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 0.08 0.00 -8.57 0.99 3.38 -1.42 -3.48 115.31 106.30 3i6e h LEU 241 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3i6e h LEU 241 Cb 0.12 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 3i6e h LEU 241 CO 0.00 0.30 -0.32 0.42 0.09 0.00 0.00 178.44 178.93 3i6e s THR 242 N -3.10 0.00 -2.23 0.22 -4.23 -1.26 -5.04 115.64 100.01 3i6e s THR 242 Ca 0.02 -1.73 0.22 0.00 -1.18 0.00 0.00 61.69 59.02 3i6e s THR 242 Cb 0.08 -2.52 0.45 0.00 1.34 0.00 0.00 72.50 71.85 3i6e s THR 242 CO 0.76 0.00 1.40 0.47 -0.54 0.00 0.00 174.62 176.71 3i6e n ASP 243 N -1.05 3.49 -4.71 3.99 8.00 -1.26 -4.89 116.55 120.12 3i6e n ASP 243 Ca 0.02 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 3i6e n ASP 243 Cb 0.63 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.34 4.49 0.25 2.53 1.01 -1.26 -4.97 120.40 121.11 3i6e s VAL 244 Ca 0.39 1.79 -0.31 0.00 0.00 0.00 0.00 61.98 63.84 3i6e s VAL 244 Cb 0.22 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 32.33 3i6e s VAL 244 CO 0.30 0.13 1.53 -2.65 0.00 0.00 0.00 175.10 174.42 3i6e n PRO 245 N 3.98 2.37 -3.77 2.72 -0.02 -1.26 -4.85 135.00 134.17 3i6e n PRO 245 Ca 0.07 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 62.04 3i6e n PRO 245 Cb 0.49 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.11 3.39 -0.11 2.45 2.96 -1.26 -1.01 118.68 125.21 3i6e s LEU 246 Ca 0.69 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 54.29 3i6e s LEU 246 Cb -0.58 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 3i6e s LEU 246 CO 0.46 -0.04 0.07 -0.76 -1.32 0.00 0.00 176.35 174.75 3i6e s LEU 247 N 1.59 3.96 -0.01 -0.68 1.43 -0.19 -0.57 118.68 124.22 3i6e s LEU 247 Ca 0.06 0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.29 3i6e s LEU 247 Cb -0.15 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 3i6e s LEU 247 CO 0.03 0.38 0.44 0.00 0.23 0.00 0.00 176.35 177.42 3i6e s ALA 248 N -0.85 3.65 0.00 4.21 0.00 -0.62 -0.54 121.76 127.61 3i6e s ALA 248 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3i6e s ALA 248 Cb -0.12 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.55 3i6e s ALA 248 CO 0.03 0.40 0.00 -3.47 0.00 0.00 0.00 175.76 172.72 3i6e n ASP 249 N 2.08 0.00 0.30 0.00 -0.08 -1.26 -0.89 116.55 116.70 3i6e n ASP 249 Ca -0.12 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.34 3i6e n ASP 249 Cb 0.52 0.00 0.99 0.00 2.34 0.00 0.00 41.12 44.97 3i6e n ASP 249 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3i6e h GLU 250 N 0.00 0.00 0.00 -0.67 3.07 -1.94 -0.36 114.58 114.68 3i6e h GLU 250 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 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 -0.15 0.77 -1.40 0.00 0.00 179.01 178.23 3i6e h SER 251 N 0.00 0.00 -3.60 1.42 0.02 -1.88 -3.43 113.55 106.07 3i6e h SER 251 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 3i6e h SER 251 Cb 0.20 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.35 3i6e h SER 251 CO 0.00 0.15 -0.78 -0.69 -1.14 0.00 0.00 176.83 174.37 3i6e s VAL 252 N -3.52 1.45 -0.15 2.27 1.01 -0.15 -4.90 120.40 116.41 3i6e s VAL 252 Ca 0.02 -1.16 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 3i6e s VAL 252 Cb 0.09 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3i6e s VAL 252 CO 0.63 -0.10 -0.22 -1.22 0.00 0.00 0.00 175.10 174.18 3i6e n TYR 253 N 4.70 0.67 -3.80 5.22 4.02 -1.26 -4.85 117.16 121.86 3i6e n TYR 253 Ca -0.12 0.29 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 3i6e n TYR 253 Cb 0.44 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 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 1.58 4.65 0.32 2.72 0.00 -1.26 -2.81 105.19 110.38 3i6e n GLY 254 Ca -0.09 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 44.07 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 0.62 -0.18 1.61 0.11 -1.92 -1.01 132.00 131.23 3i6e h PRO 255 Ca 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3i6e h PRO 255 Cb 0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3i6e h PRO 255 CO 0.00 0.41 0.11 0.93 -0.21 0.00 0.00 178.00 179.24 3i6e h GLU 256 N 0.64 0.24 -0.57 1.05 3.07 -1.98 -0.72 114.58 116.30 3i6e h GLU 256 Ca 0.49 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.26 3i6e h GLU 256 Cb 0.71 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 3i6e h GLU 256 CO -0.37 0.19 0.10 -0.44 -1.40 0.00 0.00 179.01 177.09 3i6e h ASP 257 N 0.22 0.85 -0.63 1.42 3.32 -1.74 -2.71 116.42 117.15 3i6e h ASP 257 Ca 0.06 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3i6e h ASP 257 Cb 0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3i6e h ASP 257 CO -0.01 0.86 0.20 -0.03 -1.72 0.00 0.00 179.24 178.53 3i6e h MET 258 N 0.86 0.99 -0.43 3.56 4.05 -0.81 0.27 114.93 123.43 3i6e h MET 258 Ca 0.18 -0.21 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3i6e h MET 258 Cb 0.37 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.00 3i6e h MET 258 CO 0.01 0.87 0.26 0.28 0.23 0.00 0.00 176.91 178.55 3i6e h VAL 259 N 0.91 1.05 -0.31 -5.77 2.07 -0.97 0.03 116.25 113.27 3i6e h VAL 259 Ca 0.20 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3i6e h VAL 259 Cb 0.29 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3i6e h VAL 259 CO -0.01 0.09 0.06 -0.09 0.02 0.00 0.00 177.57 177.65 3i6e h ARG 260 N 0.52 0.50 -0.74 1.57 2.43 -1.13 -1.78 114.38 115.75 3i6e h ARG 260 Ca 0.17 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3i6e h ARG 260 Cb 0.00 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3i6e h ARG 260 CO -0.07 0.59 0.48 0.00 -1.51 0.00 0.00 179.97 179.45 3i6e h ALA 261 N 0.89 0.94 -0.37 2.80 0.00 -0.20 -1.38 119.26 121.95 3i6e h ALA 261 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3i6e h ALA 261 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i6e h ALA 261 CO 0.00 0.32 0.01 0.00 0.00 0.00 0.00 179.25 179.58 3i6e h ALA 262 N 1.28 0.49 -0.97 0.00 0.00 -0.90 -1.39 119.26 117.78 3i6e h ALA 262 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i6e h ALA 262 Cb -0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3i6e h ALA 262 CO -0.07 0.26 0.60 1.25 0.00 0.00 0.00 179.25 181.29 3i6e h HIS 263 N 0.46 1.25 -0.01 0.00 6.17 -1.00 -2.38 115.15 119.65 3i6e h HIS 263 Ca 0.10 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.19 3i6e h HIS 263 Cb 0.45 -0.42 0.00 0.00 2.52 0.00 0.00 27.41 29.97 3i6e h HIS 263 CO 0.04 0.81 -0.14 0.39 0.71 0.00 0.00 177.93 179.74 3i6e n GLU 264 N -4.36 0.87 -3.62 5.26 1.02 -0.55 -4.96 120.64 114.29 3i6e n GLU 264 Ca 0.11 -0.39 -0.20 0.00 -0.02 0.00 0.00 57.16 56.65 3i6e n GLU 264 Cb 0.04 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.02 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 1.27 -0.33 0.12 0.62 0.00 -0.55 -4.81 105.19 101.52 3i6e n GLY 265 Ca 0.15 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.27 0.00 -3.91 -0.61 -5.35 -1.03 -4.41 119.36 99.77 3i6e n ILE 266 Ca -0.27 -0.07 -0.08 0.00 -0.27 0.00 0.00 62.75 62.06 3i6e n ILE 266 Cb 0.66 0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 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 -0.58 0.71 -3.63 0.00 8.00 0.27 -4.98 116.55 116.33 3i6e n ASP 268 Ca -0.03 -0.79 -0.00 0.00 0.71 0.00 0.00 54.79 54.68 3i6e n ASP 268 Cb 0.60 1.03 0.00 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 -2.37 -0.20 0.03 0.44 0.00 -1.19 -1.27 107.32 102.75 3i6e s GLY 269 Ca 0.05 0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.01 3i6e s GLY 269 CO 0.57 1.65 -0.10 0.54 0.00 0.00 0.00 173.10 175.76 3i6e s VAL 270 N -2.48 0.72 -0.35 1.40 0.11 0.36 -1.59 120.40 118.58 3i6e s VAL 270 Ca 0.18 -0.86 -0.21 0.00 -2.93 0.00 0.00 61.98 58.17 3i6e s VAL 270 Cb 0.01 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 3i6e s VAL 270 CO 0.00 -0.13 0.66 -0.55 -3.33 0.00 0.00 175.10 171.75 3i6e s SER 271 N -1.09 6.46 -0.21 3.54 0.15 -0.07 -1.14 113.70 121.34 3i6e s SER 271 Ca -0.03 0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.73 3i6e s SER 271 Cb -0.07 -2.34 -0.05 0.00 -1.71 0.00 0.00 66.02 61.85 3i6e s SER 271 CO 0.01 -0.60 0.18 -0.63 1.20 0.00 0.00 173.24 173.39 3i6e s ILE 272 N 2.76 5.37 -0.03 6.45 1.01 0.41 -4.76 121.20 132.40 3i6e s ILE 272 Ca 0.26 0.27 0.01 0.00 0.00 0.00 0.00 60.65 61.18 3i6e s ILE 272 Cb -0.14 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.83 3i6e s ILE 272 CO 0.15 0.40 -0.03 -0.54 0.00 0.00 0.00 174.94 174.91 3i6e s LYS 273 N 0.62 0.57 0.50 2.79 1.02 -1.26 -1.67 119.74 122.32 3i6e s LYS 273 Ca 0.10 -0.05 0.21 0.00 0.02 0.00 0.00 55.97 56.25 3i6e s LYS 273 Cb -0.12 -0.64 1.31 0.00 -0.52 0.00 0.00 37.83 37.86 3i6e s LYS 273 CO 0.01 -0.07 2.08 -0.84 -0.92 0.00 0.00 175.35 175.61 3i6e h ILE 274 N 6.03 0.85 0.00 2.17 3.07 -1.86 -1.22 117.51 126.55 3i6e h ILE 274 Ca -0.39 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 65.62 3i6e h ILE 274 Cb 1.15 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 3i6e h ILE 274 CO 0.48 0.11 0.00 0.24 -1.05 0.00 0.00 178.15 177.93 3i6e h MET 275 N 0.00 0.00 0.03 0.16 2.86 -1.92 0.73 114.93 116.79 3i6e h MET 275 Ca -0.00 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.26 3i6e h MET 275 Cb 0.22 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3i6e h MET 275 CO 0.01 0.00 -2.17 1.63 1.06 0.00 0.00 176.91 177.45 3i6e n LYS 276 N -2.81 0.65 0.21 1.72 5.02 -0.56 -2.70 118.16 119.69 3i6e n LYS 276 Ca 0.01 0.28 0.15 0.00 -2.02 0.00 0.00 58.31 56.72 3i6e n LYS 276 Cb 0.25 -1.60 0.57 0.00 -0.02 0.00 0.00 35.03 34.23 3i6e n LYS 276 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i6e h SER 277 N -0.38 0.00 -1.69 4.39 4.64 -1.12 -3.40 113.55 115.98 3i6e h SER 277 Ca -0.53 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.54 3i6e h SER 277 Cb 1.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.84 3i6e h SER 277 CO -0.14 0.00 -0.32 0.61 -0.87 0.00 0.00 176.83 176.11 3i6e n GLY 278 N 0.12 -0.02 0.00 -0.77 0.00 0.24 -4.74 105.19 100.02 3i6e n GLY 278 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3i6e n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 279 N -1.05 3.33 0.20 -0.02 0.00 -1.17 -3.59 105.19 102.88 3i6e n GLY 279 Ca -0.15 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 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 0.78 -0.32 0.99 4.07 -1.89 -2.76 115.31 116.19 3i6e h LEU 280 Ca 0.00 -0.63 -0.01 0.00 0.08 0.00 0.00 57.88 57.32 3i6e h LEU 280 Cb 0.00 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 3i6e h LEU 280 CO 0.00 1.29 0.15 0.74 -1.08 0.00 0.00 178.44 179.53 3i6e h THR 281 N 0.33 1.17 -0.08 0.22 2.02 -1.97 -1.74 112.91 112.87 3i6e h THR 281 Ca -0.04 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3i6e h THR 281 Cb 1.26 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3i6e h THR 281 CO 0.13 0.18 0.02 0.03 0.37 0.00 0.00 175.52 176.24 3i6e h ARG 282 N 0.38 0.10 -0.43 6.66 3.08 -1.86 0.12 114.38 122.43 3i6e h ARG 282 Ca 0.11 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 3i6e h ARG 282 Cb 0.14 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3i6e h ARG 282 CO -0.01 0.10 -0.20 0.00 -1.07 0.00 0.00 179.97 178.79 3i6e h ALA 283 N 1.92 0.61 -0.65 0.04 0.00 -1.12 -1.92 119.26 118.14 3i6e h ALA 283 Ca 0.03 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3i6e h ALA 283 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3i6e h ALA 283 CO -0.00 0.58 0.18 1.96 0.00 0.00 0.00 179.25 181.96 3i6e h GLN 284 N 0.73 1.03 -0.90 0.00 4.20 -0.26 -2.50 115.11 117.41 3i6e h GLN 284 Ca 0.10 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3i6e h GLN 284 Cb 0.77 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 3i6e h GLN 284 CO 0.06 0.91 0.59 1.15 -0.67 0.00 0.00 178.83 180.88 3i6e h THR 285 N 0.96 1.23 -0.80 -0.54 2.02 -0.80 0.23 112.91 115.21 3i6e h THR 285 Ca 0.21 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3i6e h THR 285 Cb 0.33 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 3i6e h THR 285 CO -0.00 0.22 0.38 -0.37 0.37 0.00 0.00 175.52 176.12 3i6e h VAL 286 N 1.22 1.25 -0.48 3.16 -1.51 -1.06 -0.78 116.25 118.04 3i6e h VAL 286 Ca 0.33 -0.71 -0.06 0.00 -1.23 0.00 0.00 66.70 65.03 3i6e h VAL 286 Cb -0.14 0.23 -0.02 0.00 -2.13 0.00 0.00 31.29 29.23 3i6e h VAL 286 CO -0.07 0.30 0.05 0.00 -1.23 0.00 0.00 177.57 176.63 3i6e h ALA 287 N 1.27 0.64 -0.25 5.19 0.00 -0.88 -1.08 119.26 124.15 3i6e h ALA 287 Ca 0.28 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3i6e h ALA 287 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i6e h ALA 287 CO -0.03 0.39 -0.34 0.00 0.00 0.00 0.00 179.25 179.27 3i6e h ARG 288 N 0.68 0.54 -0.19 0.00 3.08 -0.71 -0.60 114.38 117.17 3i6e h ARG 288 Ca 0.14 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3i6e h ARG 288 Cb 0.43 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3i6e h ARG 288 CO 0.01 0.81 -0.14 0.82 -1.07 0.00 0.00 179.97 180.40 3i6e h ILE 289 N 0.46 1.32 -0.37 2.04 2.04 -1.05 -1.39 117.51 120.57 3i6e h ILE 289 Ca 0.05 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.71 3i6e h ILE 289 Cb 0.81 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 3i6e h ILE 289 CO 0.07 0.38 0.07 0.00 0.00 0.00 0.00 178.15 178.67 3i6e h ALA 290 N 0.66 0.40 -0.94 1.87 0.00 -1.06 -1.77 119.26 118.43 3i6e h ALA 290 Ca 0.04 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i6e h ALA 290 Cb 0.66 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3i6e h ALA 290 CO 0.04 -0.33 0.62 0.00 0.00 0.00 0.00 179.25 179.58 3i6e h ALA 291 N 1.28 1.21 0.00 0.00 0.00 -1.00 0.69 119.26 121.43 3i6e h ALA 291 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i6e h ALA 291 Cb 0.20 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3i6e h ALA 291 CO -0.23 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.51 3i6e h ALA 292 N 1.36 1.28 -0.49 0.00 0.00 -0.39 -0.76 119.26 120.25 3i6e h ALA 292 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3i6e h ALA 292 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i6e h ALA 292 CO -0.09 0.06 0.00 0.72 0.00 0.00 0.00 179.25 179.93 3i6e n HIS 293 N -3.54 0.64 -2.36 0.00 8.25 -0.55 -4.94 115.22 112.73 3i6e n HIS 293 Ca -0.02 -0.32 -0.08 0.00 -0.26 0.00 0.00 57.72 57.04 3i6e n HIS 293 Cb 0.15 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.27 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 1.52 0.18 3.55 -1.41 0.00 -0.29 -5.04 105.19 103.71 3i6e n GLY 294 Ca 0.21 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.41 2.99 0.64 0.99 1.43 0.12 -4.98 118.68 117.47 3i6e s LEU 295 Ca 0.06 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 3i6e s LEU 295 Cb -0.03 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.50 3i6e s LEU 295 CO 0.08 0.28 0.94 0.00 0.23 0.00 0.00 176.35 177.88 3i6e s MET 296 N -1.41 2.60 0.01 1.70 0.23 -0.40 -3.43 119.30 118.61 3i6e s MET 296 Ca 0.16 -0.14 0.01 0.00 -1.03 0.00 0.00 55.69 54.69 3i6e s MET 296 Cb -0.11 -2.24 -0.01 0.00 -1.53 0.00 0.00 34.83 30.94 3i6e s MET 296 CO 0.07 -0.93 -0.05 0.00 -2.03 0.00 0.00 175.02 172.08 3i6e s ALA 297 N -3.09 0.36 0.03 3.16 0.00 -1.26 -0.48 121.76 120.48 3i6e s ALA 297 Ca 0.57 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.22 3i6e s ALA 297 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3i6e s ALA 297 CO 0.45 0.03 -0.18 -0.47 0.00 0.00 0.00 175.76 175.58 3i6e s TYR 298 N -0.56 1.59 -1.19 0.00 5.04 -0.29 -2.54 117.35 119.39 3i6e s TYR 298 Ca -0.03 -0.34 -0.17 0.00 -2.44 0.00 0.00 57.07 54.09 3i6e s TYR 298 Cb -0.05 -0.97 0.12 0.00 0.35 0.00 0.00 41.96 41.41 3i6e s TYR 298 CO -0.00 0.04 1.51 0.20 -1.34 0.00 0.00 175.55 175.96 3i6e s GLY 299 N -0.93 1.95 0.91 8.97 0.00 0.10 -0.44 107.32 117.87 3i6e s GLY 299 Ca 0.06 -3.01 -0.14 0.00 0.00 0.00 0.00 44.72 41.62 3i6e s GLY 299 CO 0.01 2.37 1.27 -0.32 0.00 0.00 0.00 173.10 176.42 3i6e s GLY 300 N 3.67 1.72 0.28 0.20 0.00 -0.67 -1.28 107.32 111.24 3i6e s GLY 300 Ca 0.46 -1.04 -0.18 0.00 0.00 0.00 0.00 44.72 43.96 3i6e s GLY 300 CO 0.01 -0.36 0.66 0.51 0.00 0.00 0.00 173.10 173.91 3i6e s ASP 301 N -4.79 -0.19 0.00 1.64 -4.77 -1.26 -4.53 116.67 102.77 3i6e s ASP 301 Ca 0.70 -0.73 0.00 0.00 -3.30 0.00 0.00 52.55 49.22 3i6e s ASP 301 Cb -0.06 0.70 0.00 0.00 -1.09 0.00 0.00 42.92 42.47 3i6e s ASP 301 CO 0.51 -1.31 0.00 0.23 0.70 0.00 0.00 175.17 175.30 3i6e n MET 302 N -0.45 1.91 -2.74 2.11 2.81 -1.26 -4.98 117.12 114.52 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 -0.01 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 0.79 3.05 0.47 2.03 0.08 -1.26 -4.93 117.98 118.21 3i6e s PHE 303 Ca 0.00 -1.72 0.07 0.00 0.12 0.00 0.00 56.93 55.40 3i6e s PHE 303 Cb 0.00 -4.55 -0.00 0.00 -0.57 0.00 0.00 43.02 37.90 3i6e s PHE 303 CO 0.00 -1.64 0.35 -1.83 -0.10 0.00 0.00 175.22 172.00 3i6e s GLU 304 N 3.18 2.35 0.00 0.44 -1.05 -1.26 -4.86 118.70 117.50 3i6e s GLU 304 Ca 0.47 -1.80 0.00 0.00 -0.15 0.00 0.00 54.97 53.49 3i6e s GLU 304 Cb 0.00 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 3i6e s GLU 304 CO 0.02 -0.36 0.00 0.00 0.95 0.00 0.00 175.26 175.87 3i6e n ALA 305 N -1.58 0.00 -0.19 -0.84 0.00 -1.26 -4.41 120.51 112.23 3i6e n ALA 305 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 3i6e n ALA 305 Cb 0.63 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.41 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 0.00 0.98 0.95 0.00 0.00 -1.97 -1.65 103.07 101.39 3i6e h GLY 306 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3i6e h GLY 306 CO 0.00 0.26 0.17 -2.00 0.00 0.00 0.00 176.54 174.97 3i6e h LEU 307 N 0.82 0.43 -0.59 3.11 5.85 -1.96 0.13 115.31 123.10 3i6e h LEU 307 Ca 0.30 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 3i6e h LEU 307 Cb 0.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3i6e h LEU 307 CO -0.09 0.42 -0.04 0.00 -0.34 0.00 0.00 178.44 178.39 3i6e h ALA 308 N 1.03 0.80 -0.99 1.25 0.00 -1.81 -2.45 119.26 117.09 3i6e h ALA 308 Ca 0.12 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3i6e h ALA 308 Cb 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3i6e h ALA 308 CO -0.02 0.67 0.65 0.45 0.00 0.00 0.00 179.25 181.00 3i6e h HIS 309 N 0.96 1.21 -0.34 0.00 3.86 -0.93 -1.26 115.15 118.64 3i6e h HIS 309 Ca 0.16 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3i6e h HIS 309 Cb 0.60 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 3i6e h HIS 309 CO 0.04 0.68 0.07 -0.07 0.86 0.00 0.00 177.93 179.51 3i6e h LEU 310 N 1.23 0.53 -0.81 2.43 3.38 -0.63 0.04 115.31 121.48 3i6e h LEU 310 Ca 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3i6e h LEU 310 Cb 0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3i6e h LEU 310 CO -0.13 0.63 0.45 0.00 0.09 0.00 0.00 178.44 179.48 3i6e h ALA 311 N 0.91 1.04 -0.12 1.53 0.00 -1.02 -1.38 119.26 120.22 3i6e h ALA 311 Ca 0.11 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3i6e h ALA 311 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i6e h ALA 311 CO 0.00 0.54 -0.52 0.78 0.00 0.00 0.00 179.25 180.06 3i6e h GLY 312 N 1.13 0.38 0.93 0.00 0.00 -1.07 -2.51 103.07 101.92 3i6e h GLY 312 Ca 0.29 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3i6e h GLY 312 CO -0.05 0.38 -0.01 -0.84 0.00 0.00 0.00 176.54 176.03 3i6e h THR 313 N 0.27 1.26 -0.65 4.70 2.02 -0.49 -1.21 112.91 118.81 3i6e h THR 313 Ca 0.01 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 3i6e h THR 313 Cb 1.01 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 3i6e h THR 313 CO 0.09 0.33 0.15 0.45 0.37 0.00 0.00 175.52 176.91 3i6e h HIS 314 N 0.47 1.08 -0.14 3.16 3.86 -1.22 -0.43 115.15 121.94 3i6e h HIS 314 Ca 0.10 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3i6e h HIS 314 Cb 0.47 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3i6e h HIS 314 CO 0.04 0.89 0.04 0.00 0.86 0.00 0.00 177.93 179.76 3i6e h MET 315 N 0.99 0.21 -0.33 2.45 -0.00 -1.27 -2.88 114.93 114.10 3i6e h MET 315 Ca 0.21 -0.05 -0.06 0.00 -0.00 0.00 0.00 59.70 59.80 3i6e h MET 315 Cb 0.36 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.91 3i6e h MET 315 CO 0.00 0.35 -0.04 0.82 -0.00 0.00 0.00 176.91 178.04 3i6e h ILE 316 N 0.04 1.21 0.00 -0.10 2.04 -1.04 -2.22 117.51 117.44 3i6e h ILE 316 Ca 0.04 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 3i6e h ILE 316 Cb 0.22 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3i6e h ILE 316 CO -0.00 0.29 -0.06 0.00 0.00 0.00 0.00 178.15 178.38 3i6e h ALA 317 N 1.47 1.59 -0.63 1.87 0.00 -0.88 -1.62 119.26 121.06 3i6e h ALA 317 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i6e h ALA 317 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i6e h ALA 317 CO 0.02 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3i6e n ALA 318 N -2.39 2.33 -3.77 0.00 0.00 -0.86 -0.62 120.51 115.21 3i6e n ALA 318 Ca -0.03 -1.26 -0.30 0.00 0.00 0.00 0.00 53.44 51.86 3i6e n ALA 318 Cb 0.14 -0.80 -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 -1.01 1.62 0.44 0.00 2.01 -0.61 -4.87 115.64 113.23 3i6e s THR 319 Ca 0.43 -2.62 0.21 0.00 0.31 0.00 0.00 61.69 60.02 3i6e s THR 319 Cb 0.22 -2.14 0.41 0.00 0.01 0.00 0.00 72.50 71.00 3i6e s THR 319 CO 0.29 -0.85 1.84 -0.65 -0.69 0.00 0.00 174.62 174.56 3i6e h PRO 320 N 6.80 0.30 -0.55 4.92 0.11 -1.88 -2.20 132.00 139.50 3i6e h PRO 320 Ca -0.03 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.16 3i6e h PRO 320 Cb 0.93 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 3i6e h PRO 320 CO 0.52 0.20 0.37 0.93 -0.21 0.00 0.00 178.00 179.82 3i6e h GLU 321 N 0.31 0.29 -6.19 1.05 3.07 -1.93 -3.37 114.58 107.81 3i6e h GLU 321 Ca 0.49 -0.02 -0.57 0.00 -0.50 0.00 0.00 59.36 58.76 3i6e h GLU 321 Cb 1.38 -0.07 -0.10 0.00 -0.84 0.00 0.00 28.75 29.13 3i6e h GLU 321 CO -0.16 0.19 0.84 0.42 -1.40 0.00 0.00 179.01 178.90 3i6e s ILE 322 N -5.29 4.07 -0.38 3.13 -1.09 -0.83 -4.10 121.20 116.70 3i6e s ILE 322 Ca -0.07 0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 3i6e s ILE 322 Cb 0.19 -4.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 3i6e s ILE 322 CO 0.74 -1.44 0.43 0.35 -1.23 0.00 0.00 174.94 173.78 3i6e n THR 323 N 6.37 0.00 0.87 2.92 -2.24 -1.09 -4.70 114.28 116.42 3i6e n THR 323 Ca 0.04 -0.46 0.05 0.00 -2.27 0.00 0.00 64.05 61.41 3i6e n THR 323 Cb 0.48 1.05 0.15 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.36 1.90 0.00 3.22 4.77 -1.05 -5.04 117.00 120.43 3i6e n LEU 324 Ca 0.02 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3i6e n LEU 324 Cb 0.09 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3i6e n LEU 324 CO 0.05 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3i6e n GLY 325 N 0.97 -2.23 3.21 -0.72 0.00 -1.26 -4.80 105.19 100.37 3i6e n GLY 325 Ca 0.11 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.25 2.97 -2.02 0.00 0.28 -0.41 -0.53 120.64 120.69 3i6e n GLU 327 Ca -0.02 -4.06 -0.42 0.00 -0.16 0.00 0.00 57.16 52.50 3i6e n GLU 327 Cb 0.65 -2.04 -0.00 0.00 1.43 0.00 0.00 31.44 31.47 3i6e n GLU 327 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i6e n PHE 328 N -0.55 3.07 0.06 -1.84 3.72 -1.26 -4.54 117.46 116.11 3i6e n PHE 328 Ca 0.32 -2.88 0.10 0.00 -0.05 0.00 0.00 57.45 54.95 3i6e n PHE 328 Cb 0.84 -2.18 -0.15 0.00 -0.94 0.00 0.00 39.48 37.04 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 4.42 0.00 -0.22 1.38 0.18 -1.26 -4.67 117.16 116.99 3i6e n TYR 329 Ca 0.49 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 60.26 3i6e n TYR 329 Cb 0.35 -0.42 0.10 0.00 -0.38 0.00 0.00 39.34 38.99 3i6e n TYR 329 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3i6e h GLN 330 N 0.00 0.57 -0.11 -3.48 7.50 -1.84 0.19 115.11 117.94 3i6e h GLN 330 Ca 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 3i6e h GLN 330 Cb 0.88 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.28 3i6e h GLN 330 CO 0.00 0.37 0.01 0.00 -1.50 0.00 0.00 178.83 177.71 3i6e h ALA 331 N 1.37 1.82 0.00 3.87 0.00 -1.83 0.21 119.26 124.70 3i6e h ALA 331 Ca 0.30 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.84 3i6e h ALA 331 Cb 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3i6e h ALA 331 CO -0.22 0.14 -1.88 0.43 0.00 0.00 0.00 179.25 177.72 3i6e n SER 332 N -4.46 0.66 0.00 0.00 7.64 -0.83 -4.58 113.62 112.04 3i6e n SER 332 Ca -0.01 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.18 3i6e n SER 332 Cb 0.13 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3i6e n SER 332 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3i6e n TYR 333 N -2.97 0.00 0.00 1.43 4.01 0.62 -4.92 117.16 115.32 3i6e n TYR 333 Ca -0.21 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 3i6e n TYR 333 Cb 1.08 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 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 -0.05 0.00 -2.40 -0.72 7.35 0.45 -4.97 117.46 117.12 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 0.16 0.07 -0.04 0.00 0.35 0.00 0.00 39.48 40.02 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 -5.70 4.47 0.28 -2.13 1.43 0.44 -4.52 118.68 112.95 3i6e s LEU 335 Ca 0.00 2.23 -0.02 0.00 -1.03 0.00 0.00 54.13 55.31 3i6e s LEU 335 Cb 0.00 -3.61 0.39 0.00 0.03 0.00 0.00 46.19 43.00 3i6e s LEU 335 CO 0.00 -0.33 1.88 -1.13 0.23 0.00 0.00 176.35 177.01 3i6e h ASN 336 N 5.00 0.90 -3.96 2.29 -1.24 -1.41 -3.43 115.58 113.73 3i6e h ASN 336 Ca -0.45 -0.09 -0.15 0.00 0.71 0.00 0.00 56.30 56.32 3i6e h ASN 336 Cb 1.21 -0.23 -0.25 0.00 0.73 0.00 0.00 38.32 39.79 3i6e h ASN 336 CO 0.73 0.76 -0.36 -0.70 -1.29 0.00 0.00 177.43 176.57 3i6e s GLU 337 N -5.58 0.38 0.53 6.67 2.12 -1.26 -5.09 118.70 116.48 3i6e s GLU 337 Ca -0.11 0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.58 3i6e s GLU 337 Cb 0.17 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.76 3i6e s GLU 337 CO 0.80 -0.06 0.76 0.34 -0.54 0.00 0.00 175.26 176.56 3i6e s ASP 338 N 0.01 5.43 0.00 -1.70 2.15 -1.26 -4.89 116.67 116.40 3i6e s ASP 338 Ca -0.01 0.11 0.25 0.00 0.43 0.00 0.00 52.55 53.33 3i6e s ASP 338 Cb -0.02 -1.10 0.40 0.00 -0.30 0.00 0.00 42.92 41.89 3i6e s ASP 338 CO 0.01 -1.03 1.36 2.30 -0.17 0.00 0.00 175.17 177.64 3i6e n ILE 339 N -2.29 0.00 -2.94 4.11 -5.35 -1.26 -4.96 119.36 106.67 3i6e n ILE 339 Ca 0.06 -0.35 -0.37 0.00 -0.27 0.00 0.00 62.75 61.82 3i6e n ILE 339 Cb 0.59 1.10 -0.06 0.00 -1.74 0.00 0.00 39.64 39.53 3i6e n ILE 339 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i6e s LEU 340 N -2.17 4.42 0.38 7.28 1.43 -1.26 -0.29 118.68 128.47 3i6e s LEU 340 Ca 0.28 1.66 0.07 0.00 -1.03 0.00 0.00 54.13 55.10 3i6e s LEU 340 Cb 0.20 -3.67 0.75 0.00 0.03 0.00 0.00 46.19 43.49 3i6e s LEU 340 CO 0.40 0.05 1.95 -0.33 0.23 0.00 0.00 176.35 178.64 3i6e h GLU 341 N 3.59 0.44 -6.82 1.70 5.08 -1.66 -3.42 114.58 113.50 3i6e h GLU 341 Ca -0.47 -0.07 -0.68 0.00 -1.00 0.00 0.00 59.36 57.14 3i6e h GLU 341 Cb 1.20 -0.08 -0.21 0.00 0.50 0.00 0.00 28.75 30.16 3i6e h GLU 341 CO 0.66 0.43 -0.85 0.95 -1.00 0.00 0.00 179.01 179.20 3i6e s THR 342 N -5.06 2.38 0.34 1.13 -4.23 -1.26 -5.07 115.64 103.88 3i6e s THR 342 Ca -0.07 -1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 58.38 3i6e s THR 342 Cb 0.16 -2.08 -0.11 0.00 1.34 0.00 0.00 72.50 71.81 3i6e s THR 342 CO 0.74 0.05 1.45 -2.84 -0.54 0.00 0.00 174.62 173.48 3i6e s PRO 343 N -2.21 4.19 -0.34 3.99 0.02 -1.26 -4.92 135.00 134.47 3i6e s PRO 343 Ca 0.16 2.46 -0.28 0.00 0.02 0.00 0.00 61.00 63.36 3i6e s PRO 343 Cb -0.10 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 3i6e s PRO 343 CO 0.08 -0.45 1.83 0.12 -0.33 0.00 0.00 177.00 178.24 3i6e s PHE 344 N -0.87 1.76 -0.12 6.54 5.36 -1.26 -4.89 117.98 124.51 3i6e s PHE 344 Ca 0.54 0.63 -0.29 0.00 -0.96 0.00 0.00 56.93 56.85 3i6e s PHE 344 Cb -0.45 -4.11 -0.05 0.00 -0.34 0.00 0.00 43.02 38.07 3i6e s PHE 344 CO 0.57 -2.98 1.85 1.03 -1.46 0.00 0.00 175.22 174.22 3i6e s ARG 345 N 5.77 3.83 -0.07 10.12 0.52 -1.26 -4.96 118.95 132.90 3i6e s ARG 345 Ca 0.80 2.11 -0.00 0.00 -0.52 0.00 0.00 55.73 58.12 3i6e s ARG 345 Cb -0.23 -4.13 0.02 0.00 0.52 0.00 0.00 34.95 31.14 3i6e s ARG 345 CO 0.33 -1.28 -0.03 0.08 0.02 0.00 0.00 175.30 174.43 3i6e s VAL 346 N 5.40 0.53 -0.06 3.52 1.01 -1.26 -1.41 120.40 128.12 3i6e s VAL 346 Ca 0.83 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.78 3i6e s VAL 346 Cb -0.33 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.45 3i6e s VAL 346 CO 0.34 0.26 -0.06 -0.70 0.00 0.00 0.00 175.10 174.95 3i6e s GLU 347 N 1.50 1.05 -1.46 2.72 2.56 0.03 -4.80 118.70 120.31 3i6e s GLU 347 Ca -0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 54.97 54.72 3i6e s GLU 347 Cb -0.13 -1.08 0.05 0.00 2.00 0.00 0.00 34.13 34.97 3i6e s GLU 347 CO -0.03 -0.13 0.79 0.00 -0.56 0.00 0.00 175.26 175.32 3i6e n ALA 348 N 4.34 -1.14 -1.57 6.30 0.00 -1.26 -1.53 120.51 125.65 3i6e n ALA 348 Ca -0.19 0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 3i6e n ALA 348 Cb 0.51 -4.09 -0.01 0.00 0.00 0.00 0.00 19.45 15.85 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 -1.57 0.47 2.81 0.00 0.00 -1.19 -4.58 105.19 101.12 3i6e n GLY 349 Ca -0.02 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.23 0.62 0.19 1.61 -1.52 -0.58 -2.25 119.66 114.50 3i6e s GLN 350 Ca 0.00 0.05 -0.31 0.00 -1.95 0.00 0.00 55.36 53.15 3i6e s GLN 350 Cb 0.00 -0.87 -0.10 0.00 -0.22 0.00 0.00 33.01 31.83 3i6e s GLN 350 CO 0.00 -0.22 1.48 0.08 -0.25 0.00 0.00 175.29 176.38 3i6e s VAL 351 N 1.56 2.79 -0.22 1.09 1.01 0.90 -0.79 120.40 126.74 3i6e s VAL 351 Ca -0.01 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 3i6e s VAL 351 Cb -0.13 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3i6e s VAL 351 CO -0.03 0.07 0.30 -0.63 0.00 0.00 0.00 175.10 174.80 3i6e s ILE 352 N 0.69 5.26 -0.15 2.22 -1.09 -0.50 -1.12 121.20 126.51 3i6e s ILE 352 Ca 0.65 0.48 -0.29 0.00 -2.23 0.00 0.00 60.65 59.26 3i6e s ILE 352 Cb -0.41 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 3i6e s ILE 352 CO 0.35 0.29 1.29 -0.69 -1.23 0.00 0.00 174.94 174.94 3i6e s VAL 353 N 1.24 4.23 0.42 2.92 1.01 -0.07 -4.81 120.40 125.35 3i6e s VAL 353 Ca 0.14 1.49 -0.25 0.00 0.00 0.00 0.00 61.98 63.36 3i6e s VAL 353 Cb -0.14 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 3i6e s VAL 353 CO 0.07 -0.12 1.25 -2.84 0.00 0.00 0.00 175.10 173.46 3i6e s PRO 354 N 3.44 3.91 0.00 2.72 0.02 -1.26 -4.95 135.00 138.89 3i6e s PRO 354 Ca 0.56 2.03 0.06 0.00 0.02 0.00 0.00 61.00 63.66 3i6e s PRO 354 Cb -0.23 -2.66 0.08 0.00 0.02 0.00 0.00 34.50 31.71 3i6e s PRO 354 CO 0.16 -0.49 0.83 -0.25 -0.33 0.00 0.00 177.00 176.91 3i6e n ASP 355 N -0.03 1.80 -4.29 2.53 8.00 -1.26 -4.92 116.55 118.39 3i6e n ASP 355 Ca 0.05 -1.49 -0.30 0.00 0.71 0.00 0.00 54.79 53.76 3i6e n ASP 355 Cb 0.45 -0.04 0.17 0.00 -0.02 0.00 0.00 41.12 41.68 3i6e n ASP 355 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i6e s GLY 356 N -0.65 1.70 0.45 0.44 0.00 -1.26 -4.49 107.32 103.51 3i6e s GLY 356 Ca 0.08 -1.00 -0.25 0.00 0.00 0.00 0.00 44.72 43.56 3i6e s GLY 356 CO 0.07 -0.28 1.35 -1.05 0.00 0.00 0.00 173.10 173.20 3i6e n PRO 357 N -3.84 2.06 0.00 2.90 -0.02 -1.26 -3.27 135.00 131.56 3i6e n PRO 357 Ca 0.13 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3i6e n PRO 357 Cb 0.60 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3i6e n PRO 357 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6e n GLY 358 N 0.70 2.84 0.12 -1.23 0.00 0.89 -2.02 105.19 106.48 3i6e n GLY 358 Ca 0.06 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 0.59 0.00 0.99 4.77 -1.26 -1.36 117.00 120.74 3i6e n LEU 359 Ca 0.00 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 3i6e n LEU 359 Cb 0.00 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3i6e n LEU 359 CO 0.00 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 3i6e n GLY 360 N -0.01 0.77 3.57 -0.72 0.00 -0.86 -4.83 105.19 103.12 3i6e n GLY 360 Ca 0.02 0.00 -0.11 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 -2.22 -1.92 0.17 4.61 0.00 -1.26 -4.87 121.76 116.27 3i6e s ALA 361 Ca 0.00 1.58 0.06 0.00 0.00 0.00 0.00 51.96 53.60 3i6e s ALA 361 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3i6e s ALA 361 CO 0.00 -0.31 0.08 1.03 0.00 0.00 0.00 175.76 176.56 3i6e s ARG 362 N -1.03 2.70 0.45 0.00 0.52 -1.26 -5.02 118.95 115.31 3i6e s ARG 362 Ca -0.02 -0.98 -0.21 0.00 -0.52 0.00 0.00 55.73 54.00 3i6e s ARG 362 Cb -0.01 -2.52 -0.10 0.00 0.52 0.00 0.00 34.95 32.84 3i6e s ARG 362 CO 0.02 0.47 0.99 0.00 0.02 0.00 0.00 175.30 176.80 3i6e s ALA 363 N -1.78 2.97 -0.56 2.13 0.00 -1.26 -1.91 121.76 121.35 3i6e s ALA 363 Ca 0.30 0.49 -0.25 0.00 0.00 0.00 0.00 51.96 52.50 3i6e s ALA 363 Cb -0.10 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.87 3i6e s ALA 363 CO 0.22 -0.06 0.99 0.34 0.00 0.00 0.00 175.76 177.25 3i6e s ASP 364 N -2.10 6.35 0.56 0.00 -1.08 0.60 -4.68 116.67 116.32 3i6e s ASP 364 Ca 0.64 -0.30 0.33 0.00 -0.52 0.00 0.00 52.55 52.71 3i6e s ASP 364 Cb -0.12 -2.46 1.46 0.00 -1.46 0.00 0.00 42.92 40.34 3i6e s ASP 364 CO 0.16 -1.29 1.78 -0.65 0.52 0.00 0.00 175.17 175.69 3i6e h PRO 365 N 9.37 0.00 0.07 4.34 0.11 -1.94 0.26 132.00 144.22 3i6e h PRO 365 Ca -0.26 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.56 3i6e h PRO 365 Cb 1.07 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.21 3i6e h PRO 365 CO 1.11 0.00 -1.16 0.93 -0.21 0.00 0.00 178.00 178.67 3i6e h GLU 366 N 0.00 0.66 -0.39 1.05 5.08 -1.97 -2.79 114.58 116.22 3i6e h GLU 366 Ca 0.45 -0.80 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3i6e h GLU 366 Cb 2.00 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 31.49 3i6e h GLU 366 CO -0.00 1.36 0.21 0.87 -1.00 0.00 0.00 179.01 180.44 3i6e h LYS 367 N 0.31 0.54 -0.45 2.33 1.79 -0.87 0.28 116.57 120.51 3i6e h LYS 367 Ca -0.17 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.25 3i6e h LYS 367 Cb 1.83 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 32.35 3i6e h LYS 367 CO 0.22 0.45 0.28 -0.07 -1.08 0.00 0.00 179.45 179.26 3i6e h LEU 368 N 0.49 0.47 -0.57 2.94 3.38 -1.36 -0.87 115.31 119.79 3i6e h LEU 368 Ca 0.14 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3i6e h LEU 368 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3i6e h LEU 368 CO -0.02 0.34 -0.05 -0.08 0.09 0.00 0.00 178.44 178.71 3i6e h GLU 369 N 0.57 1.04 0.00 1.13 4.57 -1.28 -2.15 114.58 118.46 3i6e h GLU 369 Ca 0.17 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3i6e h GLU 369 Cb -0.03 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3i6e h GLU 369 CO -0.06 1.05 -0.00 1.25 -1.18 0.00 0.00 179.01 180.07 3i6e h HIS 370 N 0.92 -0.00 -0.08 0.92 2.76 -0.58 -3.24 115.15 115.84 3i6e h HIS 370 Ca 0.15 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3i6e h HIS 370 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.58 3i6e h HIS 370 CO 0.04 0.29 0.00 0.66 -1.30 0.00 0.00 177.93 177.62 3i6e n TYR 371 N -4.95 0.09 -2.45 5.26 4.01 -0.36 -4.93 117.16 113.83 3i6e n TYR 371 Ca -0.08 -0.05 -0.40 0.00 -0.16 0.00 0.00 57.90 57.21 3i6e n TYR 371 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 3i6e n TYR 371 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i6e s ALA 372 N -1.91 3.41 -0.65 -0.72 0.00 -0.81 -1.36 121.76 119.73 3i6e s ALA 372 Ca 0.36 0.92 0.06 0.00 0.00 0.00 0.00 51.96 53.29 3i6e s ALA 372 Cb 0.19 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 20.00 3i6e s ALA 372 CO 0.30 -0.20 0.62 1.33 0.00 0.00 0.00 175.76 177.81 3i6e n VAL 373 N 1.13 0.00 -3.65 0.00 0.24 0.59 -4.92 118.33 111.73 3i6e n VAL 373 Ca -0.01 -0.48 -0.01 0.00 -2.04 0.00 0.00 64.34 61.79 3i6e n VAL 373 Cb 0.45 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.85 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 -0.62 0.28 0.00 7.34 3.52 -1.20 -4.99 118.95 123.28 3i6e s ARG 374 Ca 0.06 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 3i6e s ARG 374 Cb 0.05 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 3i6e s ARG 374 CO 0.09 -0.06 0.07 2.89 -0.81 0.00 0.00 175.30 177.49