#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a8i n GLY 42 N 0.00 2.81 3.08 -0.02 0.00 -1.26 -3.52 105.19 106.27 2a8i n GLY 42 Ca 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 2a8i n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a8i s PHE 43 N -2.00 -0.14 0.02 1.61 5.36 -0.91 -0.53 117.98 121.39 2a8i s PHE 43 Ca 0.00 0.32 0.01 0.00 -0.96 0.00 0.00 56.93 56.31 2a8i s PHE 43 Cb 0.00 0.04 -0.02 0.00 -0.34 0.00 0.00 43.02 42.70 2a8i s PHE 43 CO 0.00 -0.16 -0.05 0.54 -1.46 0.00 0.00 175.22 174.09 2a8i s VAL 44 N -0.35 0.31 -0.04 3.12 0.11 -1.26 -1.87 120.40 120.41 2a8i s VAL 44 Ca -0.04 -0.72 -0.01 0.00 -2.93 0.00 0.00 61.98 58.27 2a8i s VAL 44 Cb -0.03 -0.37 0.03 0.00 -1.53 0.00 0.00 36.38 34.48 2a8i s VAL 44 CO 0.01 -0.28 0.03 -0.22 -3.33 0.00 0.00 175.10 171.31 2a8i s LEU 45 N -1.06 0.60 0.32 2.54 2.96 -0.49 -4.25 118.68 119.29 2a8i s LEU 45 Ca -0.08 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 2a8i s LEU 45 Cb -0.07 -0.20 -0.06 0.00 0.50 0.00 0.00 46.19 46.36 2a8i s LEU 45 CO -0.00 -0.19 -0.01 0.68 -1.32 0.00 0.00 176.35 175.51 2a8i s VAL 46 N 1.70 1.58 0.00 1.68 -7.23 0.13 -0.95 120.40 117.32 2a8i s VAL 46 Ca -0.01 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.05 2a8i s VAL 46 Cb -0.13 -2.67 -0.00 0.00 0.56 0.00 0.00 36.38 34.14 2a8i s VAL 46 CO -0.03 -0.14 0.08 -1.38 -0.31 0.00 0.00 175.10 173.31 2a8i s HIS 47 N -3.04 0.10 -0.43 2.82 -3.43 -0.21 -1.63 115.29 109.47 2a8i s HIS 47 Ca 0.33 -0.23 0.05 0.00 -0.80 0.00 0.00 55.06 54.42 2a8i s HIS 47 Cb 0.06 -0.09 0.42 0.00 -1.43 0.00 0.00 32.58 31.55 2a8i s HIS 47 CO 0.14 -0.23 1.11 0.00 -2.00 0.00 0.00 174.74 173.76 2a8i n ALA 48 N 1.65 5.01 0.00 -1.38 0.00 -0.12 -2.33 120.51 123.35 2a8i n ALA 48 Ca -0.22 -4.28 0.00 0.00 0.00 0.00 0.00 53.44 48.94 2a8i n ALA 48 Cb 0.56 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2a8i n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a8i n GLY 49 N -0.47 1.31 3.03 0.00 0.00 0.64 -4.60 105.19 105.10 2a8i n GLY 49 Ca 0.38 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 2a8i n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a8i s ALA 50 N -2.27 2.13 0.00 4.61 0.00 -1.17 -1.95 121.76 123.10 2a8i s ALA 50 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2a8i s ALA 50 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2a8i s ALA 50 CO 0.00 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.45 2a8i n GLY 51 N 4.65 -1.26 2.72 0.00 0.00 0.03 -4.13 105.19 107.20 2a8i n GLY 51 Ca -0.16 0.73 -0.19 0.00 0.00 0.00 0.00 46.02 46.39 2a8i n GLY 51 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a8i s TYR 52 N 0.00 -0.02 -0.37 1.61 5.04 -1.26 -0.62 117.35 121.72 2a8i s TYR 52 Ca 0.00 0.34 -0.01 0.00 -2.44 0.00 0.00 57.07 54.95 2a8i s TYR 52 Cb 0.00 -0.42 0.10 0.00 0.35 0.00 0.00 41.96 41.99 2a8i s TYR 52 CO 0.00 -0.25 0.13 -1.01 -1.34 0.00 0.00 175.55 173.08 2a8i s HIS 53 N 2.21 3.55 0.70 4.97 3.76 -1.26 -4.86 115.29 124.36 2a8i s HIS 53 Ca 0.04 -2.40 -0.16 0.00 -0.15 0.00 0.00 55.06 52.39 2a8i s HIS 53 Cb -0.12 -2.93 0.02 0.00 1.11 0.00 0.00 32.58 30.66 2a8i s HIS 53 CO -0.05 -0.93 1.23 -1.54 -0.85 0.00 0.00 174.74 172.60 2a8i s SER 54 N 1.54 4.41 0.41 1.40 1.04 -1.26 -4.72 113.70 116.51 2a8i s SER 54 Ca 0.06 2.42 0.08 0.00 0.48 0.00 0.00 55.95 58.98 2a8i s SER 54 Cb -0.21 -2.60 0.86 0.00 0.10 0.00 0.00 66.02 64.17 2a8i s SER 54 CO -0.04 -2.12 2.04 -0.33 0.98 0.00 0.00 173.24 173.77 2a8i h GLU 55 N 0.04 0.54 0.00 4.02 4.39 -1.99 0.20 114.58 121.78 2a8i h GLU 55 Ca -0.49 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.10 2a8i h GLU 55 Cb 1.31 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2a8i h GLU 55 CO 0.51 0.36 -0.37 0.66 -1.16 0.00 0.00 179.01 179.02 2a8i h SER 56 N 0.56 0.00 -0.01 1.42 4.64 -2.05 -3.19 113.55 114.92 2a8i h SER 56 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2a8i h SER 56 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2a8i h SER 56 CO -0.04 0.37 -0.17 0.29 -0.87 0.00 0.00 176.83 176.41 2a8i n LYS 57 N -3.90 1.57 -0.19 4.77 5.02 -0.68 -4.63 118.16 120.12 2a8i n LYS 57 Ca -0.01 -0.86 -0.00 0.00 -2.02 0.00 0.00 58.31 55.41 2a8i n LYS 57 Cb 0.43 -1.18 0.10 0.00 -0.02 0.00 0.00 35.03 34.36 2a8i n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a8i h ALA 58 N 2.21 0.66 -0.57 7.82 0.00 -0.62 -2.48 119.26 126.28 2a8i h ALA 58 Ca 0.00 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2a8i h ALA 58 Cb 0.45 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 2a8i h ALA 58 CO 0.00 -0.31 -0.23 -0.22 0.00 0.00 0.00 179.25 178.49 2a8i h LYS 59 N 0.24 -0.09 -0.57 0.00 1.63 -1.82 -1.29 116.57 114.67 2a8i h LYS 59 Ca 0.30 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.10 2a8i h LYS 59 Cb 0.44 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 2a8i h LYS 59 CO -0.39 -0.06 0.33 0.93 -3.45 0.00 0.00 179.45 176.81 2a8i h GLU 60 N -0.09 0.78 -0.32 1.90 4.39 -1.78 -1.74 114.58 117.72 2a8i h GLU 60 Ca 0.26 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.89 2a8i h GLU 60 Cb 0.50 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2a8i h GLU 60 CO -0.63 0.58 0.20 1.88 -1.16 0.00 0.00 179.01 179.88 2a8i h TYR 61 N 0.77 0.37 -0.05 4.33 0.05 -1.17 -2.70 116.97 118.57 2a8i h TYR 61 Ca 0.20 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.91 2a8i h TYR 61 Cb 0.01 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 2a8i h TYR 61 CO -0.02 0.23 -0.36 0.87 -1.05 0.00 0.00 178.16 177.83 2a8i h LYS 62 N 0.40 0.09 -0.56 4.88 1.57 -1.10 -2.81 116.57 119.04 2a8i h LYS 62 Ca 0.12 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2a8i h LYS 62 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2a8i h LYS 62 CO -0.04 0.44 0.08 1.25 -0.57 0.00 0.00 179.45 180.61 2a8i h HIS 63 N 0.08 1.00 -0.11 -1.35 2.76 -1.01 -0.46 115.15 116.06 2a8i h HIS 63 Ca 0.01 -0.14 -0.11 0.00 -2.20 0.00 0.00 60.37 57.92 2a8i h HIS 63 Cb 0.67 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2a8i h HIS 63 CO 0.00 0.88 -0.43 -0.24 -1.30 0.00 0.00 177.93 176.84 2a8i h VAL 64 N 0.83 1.32 -0.18 5.26 3.04 -1.35 -1.56 116.25 123.60 2a8i h VAL 64 Ca 0.17 -1.58 -0.11 0.00 -1.01 0.00 0.00 66.70 64.17 2a8i h VAL 64 Cb 0.43 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 2a8i h VAL 64 CO 0.01 0.47 -0.34 0.00 -1.01 0.00 0.00 177.57 176.70 2a8i h LYS 66 N 0.33 0.21 -0.65 0.00 3.64 -0.74 -2.12 116.57 117.23 2a8i h LYS 66 Ca 0.04 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2a8i h LYS 66 Cb 0.76 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2a8i h LYS 66 CO 0.06 0.50 0.23 0.00 -2.27 0.00 0.00 179.45 177.97 2a8i h ARG 67 N -0.10 0.97 -0.53 1.90 3.08 -1.10 -2.31 114.38 116.30 2a8i h ARG 67 Ca 0.03 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 2a8i h ARG 67 Cb 0.42 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2a8i h ARG 67 CO 0.01 0.81 0.03 0.00 -1.07 0.00 0.00 179.97 179.75 2a8i h ALA 68 N 1.31 1.06 -0.43 0.04 0.00 -0.99 -1.92 119.26 118.33 2a8i h ALA 68 Ca 0.22 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2a8i h ALA 68 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2a8i h ALA 68 CO -0.01 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.87 2a8i h GLN 70 N 0.58 0.56 -1.01 0.00 4.20 -1.17 -1.07 115.11 117.21 2a8i h GLN 70 Ca 0.13 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.85 2a8i h GLN 70 Cb 0.43 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 2a8i h GLN 70 CO 0.01 0.42 0.65 0.87 -0.67 0.00 0.00 178.83 180.12 2a8i h LYS 71 N 0.54 1.15 -0.09 1.46 1.79 -1.28 -0.14 116.57 120.00 2a8i h LYS 71 Ca 0.15 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 2a8i h LYS 71 Cb 0.01 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.40 2a8i h LYS 71 CO -0.03 0.76 -0.00 0.00 -1.08 0.00 0.00 179.45 179.10 2a8i h ALA 72 N 1.45 0.13 -0.77 3.86 0.00 -0.95 -2.86 119.26 120.12 2a8i h ALA 72 Ca 0.43 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2a8i h ALA 72 Cb 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2a8i h ALA 72 CO -0.17 -0.18 0.35 0.82 0.00 0.00 0.00 179.25 180.07 2a8i h ILE 73 N -0.12 1.25 -0.52 0.00 5.03 -0.76 -2.09 117.51 120.30 2a8i h ILE 73 Ca 0.03 -0.72 0.07 0.00 -0.12 0.00 0.00 64.86 64.12 2a8i h ILE 73 Cb 0.36 0.28 -0.06 0.00 -3.03 0.00 0.00 36.82 34.37 2a8i h ILE 73 CO 0.01 0.30 0.18 -0.33 -0.68 0.00 0.00 178.15 177.63 2a8i h GLU 74 N 1.10 0.35 -0.41 2.37 5.08 -1.00 0.66 114.58 122.73 2a8i h GLU 74 Ca 0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2a8i h GLU 74 Cb 0.14 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2a8i h GLU 74 CO -0.03 0.23 0.26 0.87 -1.00 0.00 0.00 179.01 179.35 2a8i h LYS 75 N 0.36 0.55 -0.17 2.33 1.79 -1.21 -1.04 116.57 119.18 2a8i h LYS 75 Ca 0.25 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 2a8i h LYS 75 Cb 0.27 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2a8i h LYS 75 CO -0.25 0.38 0.08 -0.07 -1.08 0.00 0.00 179.45 178.50 2a8i h LEU 76 N 0.55 0.22 -1.97 2.94 3.38 -0.70 0.09 115.31 119.83 2a8i h LEU 76 Ca 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2a8i h LEU 76 Cb -0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2a8i h LEU 76 CO -0.03 0.30 -0.09 1.56 0.09 0.00 0.00 178.44 180.27 2a8i h GLN 77 N 0.13 0.00 -0.08 1.13 4.20 -0.75 0.59 115.11 120.33 2a8i h GLN 77 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2a8i h GLN 77 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2a8i h GLN 77 CO -0.01 0.09 0.00 0.00 -0.67 0.00 0.00 178.83 178.24 2a8i n ALA 78 N -2.43 2.55 -0.97 3.87 0.00 -0.41 -4.89 120.51 118.24 2a8i n ALA 78 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2a8i n ALA 78 Cb 0.17 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2a8i n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a8i n GLY 79 N 0.84 0.50 3.70 0.00 0.00 0.20 -5.04 105.19 105.39 2a8i n GLY 79 Ca 0.11 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2a8i n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a8i s ALA 80 N -2.00 1.55 0.63 4.61 0.00 -0.04 -5.00 121.76 121.52 2a8i s ALA 80 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.98 2a8i s ALA 80 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 2a8i s ALA 80 CO 0.00 -2.41 1.10 -0.51 0.00 0.00 0.00 175.76 173.95 2a8i s LEU 81 N -6.31 3.45 0.36 0.00 1.02 -1.26 -4.71 118.68 111.23 2a8i s LEU 81 Ca 0.64 1.99 0.05 0.00 0.02 0.00 0.00 54.13 56.83 2a8i s LEU 81 Cb -0.19 -4.55 0.72 0.00 0.02 0.00 0.00 46.19 42.18 2a8i s LEU 81 CO 0.58 -1.50 1.97 0.00 0.02 0.00 0.00 176.35 177.41 2a8i h ALA 82 N 0.25 1.67 -0.40 4.21 0.00 -1.93 -1.76 119.26 121.29 2a8i h ALA 82 Ca -0.47 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2a8i h ALA 82 Cb 1.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2a8i h ALA 82 CO 0.55 0.23 0.02 1.79 0.00 0.00 0.00 179.25 181.84 2a8i h THR 83 N 0.78 1.25 0.00 0.00 1.35 -1.91 -1.58 112.91 112.80 2a8i h THR 83 Ca 0.30 -0.97 -0.03 0.00 -0.55 0.00 0.00 66.41 65.16 2a8i h THR 83 Cb 0.19 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2a8i h THR 83 CO -0.09 0.33 -0.15 0.44 -0.25 0.00 0.00 175.52 175.79 2a8i h ASP 84 N 0.53 0.00 -0.06 5.36 3.32 -1.77 -0.69 116.42 123.11 2a8i h ASP 84 Ca 0.12 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2a8i h ASP 84 Cb 0.44 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2a8i h ASP 84 CO 0.02 0.15 -0.08 0.00 -1.72 0.00 0.00 179.24 177.61 2a8i h ALA 85 N 1.85 0.08 0.00 3.45 0.00 -0.78 -1.44 119.26 122.42 2a8i h ALA 85 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2a8i h ALA 85 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2a8i h ALA 85 CO 0.02 -0.08 -0.40 -0.39 0.00 0.00 0.00 179.25 178.40 2a8i h VAL 86 N -0.32 1.23 -0.52 0.00 -1.51 -0.99 -2.19 116.25 111.95 2a8i h VAL 86 Ca 0.01 -1.38 -0.12 0.00 -1.23 0.00 0.00 66.70 63.97 2a8i h VAL 86 Cb 0.62 1.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 2a8i h VAL 86 CO 0.02 0.39 -0.16 0.74 -1.23 0.00 0.00 177.57 177.33 2a8i h THR 87 N 0.00 1.27 -0.68 7.19 2.02 -1.09 -0.94 112.91 120.68 2a8i h THR 87 Ca -0.00 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 2a8i h THR 87 Cb 0.73 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 2a8i h THR 87 CO 0.05 0.46 0.37 0.00 0.37 0.00 0.00 175.52 176.77 2a8i h ALA 88 N 0.90 0.87 -0.22 6.16 0.00 -0.83 0.54 119.26 126.69 2a8i h ALA 88 Ca 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2a8i h ALA 88 Cb 0.73 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2a8i h ALA 88 CO 0.06 0.39 0.12 0.00 0.00 0.00 0.00 179.25 179.81 2a8i h ALA 89 N 1.18 0.28 -0.67 0.00 0.00 -1.13 -2.78 119.26 116.15 2a8i h ALA 89 Ca 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2a8i h ALA 89 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2a8i h ALA 89 CO -0.04 -0.19 0.23 -0.07 0.00 0.00 0.00 179.25 179.18 2a8i h LEU 90 N 0.24 0.93 -0.52 0.00 -0.00 -0.86 -1.76 115.31 113.34 2a8i h LEU 90 Ca 0.08 -0.15 0.03 0.00 -0.00 0.00 0.00 57.88 57.83 2a8i h LEU 90 Cb 0.07 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.45 2a8i h LEU 90 CO -0.01 0.86 0.30 0.58 -0.00 0.00 0.00 178.44 180.17 2a8i h VAL 91 N 0.97 1.03 -0.56 1.22 2.07 -0.74 0.26 116.25 120.51 2a8i h VAL 91 Ca 0.22 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2a8i h VAL 91 Cb 0.25 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2a8i h VAL 91 CO -0.01 0.11 0.27 -0.08 0.02 0.00 0.00 177.57 177.88 2a8i h GLU 92 N 0.59 0.80 -0.49 1.57 4.57 -1.21 -0.72 114.58 119.70 2a8i h GLU 92 Ca 0.21 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 2a8i h GLU 92 Cb 0.05 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2a8i h GLU 92 CO -0.11 0.65 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.14 2a8i h LEU 93 N 0.75 0.94 -0.25 1.64 3.38 -0.79 -3.10 115.31 117.88 2a8i h LEU 93 Ca 0.19 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2a8i h LEU 93 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2a8i h LEU 93 CO -0.03 1.09 0.00 -0.33 0.09 0.00 0.00 178.44 179.26 2a8i h GLU 94 N 0.83 0.45 -0.10 1.13 5.08 -0.28 -3.14 114.58 118.54 2a8i h GLU 94 Ca 0.12 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2a8i h GLU 94 Cb 0.70 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2a8i h GLU 94 CO 0.05 0.61 0.18 -0.44 -1.00 0.00 0.00 179.01 178.42 2a8i h ASP 95 N 0.23 0.00 -2.93 1.42 3.32 -1.06 -3.40 116.42 113.99 2a8i h ASP 95 Ca 0.07 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.60 2a8i h ASP 95 Cb 0.41 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.00 2a8i h ASP 95 CO 0.01 0.00 0.82 -0.55 -1.72 0.00 0.00 179.24 177.81 2a8i s SER 96 N -5.36 6.66 0.00 6.45 0.15 -1.19 -4.86 113.70 115.55 2a8i s SER 96 Ca -0.04 2.54 0.19 0.00 0.70 0.00 0.00 55.95 59.33 2a8i s SER 96 Cb 0.13 -2.59 0.98 0.00 -1.71 0.00 0.00 66.02 62.83 2a8i s SER 96 CO 0.46 -0.76 1.58 -0.81 1.20 0.00 0.00 173.24 174.90 2a8i n PRO 97 N 3.81 0.31 0.00 5.44 -0.04 -1.26 -2.78 135.00 140.47 2a8i n PRO 97 Ca 0.12 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 2a8i n PRO 97 Cb 0.40 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.66 2a8i n PRO 97 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2a8i n PHE 98 N -1.25 0.00 -4.24 0.54 3.72 -1.26 -4.58 117.46 110.39 2a8i n PHE 98 Ca 0.10 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.16 2a8i n PHE 98 Cb 0.14 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.55 2a8i n PHE 98 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2a8i s THR 99 N -2.28 4.38 -1.37 4.37 -4.23 -1.12 -5.01 115.64 110.39 2a8i s THR 99 Ca 0.28 -0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 60.17 2a8i s THR 99 Cb 0.20 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 71.11 2a8i s THR 99 CO 0.44 0.42 2.14 -3.20 -0.54 0.00 0.00 174.62 173.88 2a8i n ASN 100 N 1.49 3.84 -3.63 3.99 4.05 -0.09 -3.98 115.26 120.93 2a8i n ASN 100 Ca -0.15 -2.83 -0.06 0.00 0.45 0.00 0.00 54.58 51.99 2a8i n ASN 100 Cb 0.53 -1.62 -0.06 0.00 1.23 0.00 0.00 39.78 39.86 2a8i n ASN 100 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2a8i s ALA 101 N 3.60 -2.08 0.00 5.20 0.00 -1.26 -0.91 121.76 126.30 2a8i s ALA 101 Ca 0.49 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.21 2a8i s ALA 101 Cb 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2a8i s ALA 101 CO -0.05 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2a8i n GLY 102 N 1.32 0.00 3.19 0.00 0.00 -1.26 -4.30 105.19 104.14 2a8i n GLY 102 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2a8i n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a8i n GLY 104 N 0.00 0.00 3.63 -0.02 0.00 -1.26 -4.95 105.19 102.59 2a8i n GLY 104 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2a8i n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a8i n SER 105 N 0.00 1.13 -4.72 1.61 7.64 -1.26 -4.62 113.62 113.40 2a8i n SER 105 Ca 0.00 0.87 -0.42 0.00 1.01 0.00 0.00 58.87 60.33 2a8i n SER 105 Cb 0.00 -1.41 -0.01 0.00 -1.01 0.00 0.00 64.21 61.78 2a8i n SER 105 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2a8i n ASN 106 N -0.58 3.17 -4.76 6.43 5.03 -1.26 -4.96 115.26 118.33 2a8i n ASN 106 Ca 0.12 1.20 -0.40 0.00 0.87 0.00 0.00 54.58 56.37 2a8i n ASN 106 Cb 0.46 -1.53 -0.06 0.00 -1.02 0.00 0.00 39.78 37.63 2a8i n ASN 106 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2a8i s LEU 107 N -1.08 4.54 0.00 3.41 1.02 -1.26 -4.70 118.68 120.62 2a8i s LEU 107 Ca 0.58 1.60 -0.03 0.00 0.02 0.00 0.00 54.13 56.30 2a8i s LEU 107 Cb -0.55 -3.30 0.04 0.00 0.02 0.00 0.00 46.19 42.40 2a8i s LEU 107 CO 0.59 0.12 0.18 -0.46 0.02 0.00 0.00 176.35 176.81 2a8i n ASN 108 N 2.08 -0.72 -0.23 2.29 0.23 0.76 -4.12 115.26 115.55 2a8i n ASN 108 Ca -0.04 -0.78 0.20 0.00 -0.53 0.00 0.00 54.58 53.43 2a8i n ASN 108 Cb 0.49 -0.15 0.53 0.00 -2.08 0.00 0.00 39.78 38.57 2a8i n ASN 108 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2a8i h LEU 109 N 0.00 0.37 -1.15 -4.53 6.46 -1.06 0.18 115.31 115.58 2a8i h LEU 109 Ca -0.06 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2a8i h LEU 109 Cb 0.19 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 2a8i h LEU 109 CO 0.04 0.15 0.00 0.18 -0.62 0.00 0.00 178.44 178.19 2a8i n LEU 110 N -4.49 1.76 -0.07 2.25 4.32 -1.26 -4.92 117.00 114.60 2a8i n LEU 110 Ca 0.19 -0.63 -0.01 0.00 -0.02 0.00 0.00 56.01 55.54 2a8i n LEU 110 Cb 0.70 -0.04 -0.00 0.00 -1.62 0.00 0.00 43.42 42.47 2a8i n LEU 110 CO 0.32 0.32 -0.01 0.61 -1.22 0.00 0.00 177.39 177.40 2a8i n GLY 111 N 1.19 0.36 3.51 -0.72 0.00 0.64 -5.05 105.19 105.12 2a8i n GLY 111 Ca 0.18 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 2a8i n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a8i s GLU 112 N -3.61 1.81 -0.24 1.61 2.02 -1.26 -4.77 118.70 114.26 2a8i s GLU 112 Ca 0.00 -1.53 -0.08 0.00 0.02 0.00 0.00 54.97 53.38 2a8i s GLU 112 Cb 0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 2a8i s GLU 112 CO 0.00 0.38 0.10 0.42 0.02 0.00 0.00 175.26 176.18 2a8i s ILE 113 N -2.05 4.72 -0.10 -1.63 1.01 -1.26 -0.17 121.20 121.72 2a8i s ILE 113 Ca 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.87 2a8i s ILE 113 Cb -0.07 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.22 2a8i s ILE 113 CO 0.14 0.34 -0.06 -1.61 0.00 0.00 0.00 174.94 173.76 2a8i s GLU 114 N 1.34 1.33 0.15 2.79 2.02 -1.26 -4.19 118.70 120.88 2a8i s GLU 114 Ca 0.06 -0.18 0.06 0.00 0.02 0.00 0.00 54.97 54.92 2a8i s GLU 114 Cb -0.15 -1.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.60 2a8i s GLU 114 CO 0.05 -0.26 0.05 0.00 0.02 0.00 0.00 175.26 175.12 2a8i s ASP 116 N -2.86 2.64 -0.01 0.00 1.01 -0.23 -1.18 116.67 116.03 2a8i s ASP 116 Ca 0.28 -0.43 -0.24 0.00 0.71 0.00 0.00 52.55 52.88 2a8i s ASP 116 Cb -0.10 -0.64 0.05 0.00 1.01 0.00 0.00 42.92 43.24 2a8i s ASP 116 CO 0.20 0.22 0.52 0.00 0.21 0.00 0.00 175.17 176.32 2a8i s ALA 117 N -0.17 -1.34 0.16 5.23 0.00 -0.62 -0.26 121.76 124.76 2a8i s ALA 117 Ca -0.01 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 2a8i s ALA 117 Cb -0.12 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2a8i s ALA 117 CO 0.02 -0.38 0.46 -1.54 0.00 0.00 0.00 175.76 174.32 2a8i s SER 118 N -1.46 -0.25 0.15 0.00 1.04 -0.66 -0.89 113.70 111.62 2a8i s SER 118 Ca -0.10 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 2a8i s SER 118 Cb -0.02 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2a8i s SER 118 CO 0.05 -0.95 0.25 0.00 0.98 0.00 0.00 173.24 173.57 2a8i n ILE 119 N -0.28 0.00 -3.64 -1.02 3.06 -0.19 -1.74 119.36 115.54 2a8i n ILE 119 Ca -0.13 -0.57 -0.07 0.00 -2.50 0.00 0.00 62.75 59.48 2a8i n ILE 119 Cb 0.63 0.42 -0.09 0.00 0.54 0.00 0.00 39.64 41.15 2a8i n ILE 119 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2a8i s ASP 121 N -1.85 -0.36 0.39 9.51 2.15 -0.67 -1.83 116.67 124.00 2a8i s ASP 121 Ca 0.09 1.04 0.13 0.00 0.43 0.00 0.00 52.55 54.24 2a8i s ASP 121 Cb -0.01 1.48 0.78 0.00 -0.30 0.00 0.00 42.92 44.87 2a8i s ASP 121 CO 0.07 -0.23 1.87 1.23 -0.17 0.00 0.00 175.17 177.93 2a8i h GLY 122 N 8.15 0.03 0.40 2.66 0.00 -1.28 0.53 103.07 113.55 2a8i h GLY 122 Ca -0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2a8i h GLY 122 CO 0.12 0.02 -0.03 1.70 0.00 0.00 0.00 176.54 178.35 2a8i h LYS 123 N 0.02 -0.09 0.00 4.80 3.64 -1.90 -0.88 116.57 122.16 2a8i h LYS 123 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2a8i h LYS 123 Cb 0.57 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2a8i h LYS 123 CO 0.04 0.44 -0.74 0.66 -2.27 0.00 0.00 179.45 177.59 2a8i h SER 124 N -0.69 0.00 -0.03 4.20 4.64 -1.96 -3.47 113.55 116.24 2a8i h SER 124 Ca -0.01 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 2a8i h SER 124 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2a8i h SER 124 CO 0.02 0.11 -0.01 0.18 -0.87 0.00 0.00 176.83 176.25 2a8i n LEU 125 N -2.15 0.61 -4.83 5.97 4.77 0.19 -4.97 117.00 116.59 2a8i n LEU 125 Ca 0.03 0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.71 2a8i n LEU 125 Cb 0.45 -1.88 0.03 0.00 -2.33 0.00 0.00 43.42 39.69 2a8i n LEU 125 CO 0.37 -0.69 0.71 0.21 -1.33 0.00 0.00 177.39 176.67 2a8i s ASN 126 N -2.03 5.76 0.08 -1.43 3.04 -1.22 -4.79 114.94 114.34 2a8i s ASN 126 Ca 0.00 1.58 0.02 0.00 0.04 0.00 0.00 52.86 54.50 2a8i s ASN 126 Cb 0.00 -2.49 -0.03 0.00 -1.54 0.00 0.00 41.25 37.18 2a8i s ASN 126 CO 0.00 -1.19 -0.07 0.12 -3.04 0.00 0.00 177.10 172.92 2a8i s PHE 127 N -2.99 0.82 -0.12 0.43 5.36 -1.26 -1.66 117.98 118.56 2a8i s PHE 127 Ca 0.58 -0.73 -0.10 0.00 -0.96 0.00 0.00 56.93 55.72 2a8i s PHE 127 Cb -0.13 -0.48 0.03 0.00 -0.34 0.00 0.00 43.02 42.11 2a8i s PHE 127 CO 0.51 -0.11 0.32 0.20 -1.46 0.00 0.00 175.22 174.68 2a8i s GLY 128 N -2.42 -0.23 -0.01 13.12 0.00 -0.76 -4.33 107.32 112.69 2a8i s GLY 128 Ca 0.03 0.96 -0.29 0.00 0.00 0.00 0.00 44.72 45.42 2a8i s GLY 128 CO -0.02 0.90 0.73 0.00 0.00 0.00 0.00 173.10 174.70 2a8i s ALA 129 N 0.39 -1.76 0.04 3.20 0.00 0.23 -1.02 121.76 122.84 2a8i s ALA 129 Ca -0.02 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.10 2a8i s ALA 129 Cb -0.04 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2a8i s ALA 129 CO -0.02 -0.49 -0.10 0.14 0.00 0.00 0.00 175.76 175.30 2a8i s VAL 130 N -2.00 0.73 0.04 0.00 -7.23 -0.07 -2.34 120.40 109.54 2a8i s VAL 130 Ca -0.05 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 2a8i s VAL 130 Cb -0.00 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 2a8i s VAL 130 CO 0.01 -0.21 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.68 2a8i s GLY 131 N -1.31 0.56 -1.55 2.32 0.00 -0.91 -1.59 107.32 104.83 2a8i s GLY 131 Ca -0.05 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.82 2a8i s GLY 131 CO 0.01 -0.81 0.53 0.00 0.00 0.00 0.00 173.10 172.82 2a8i n ALA 132 N 1.53 -1.68 -2.61 3.20 0.00 -0.95 -1.52 120.51 118.48 2a8i n ALA 132 Ca -0.22 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 2a8i n ALA 132 Cb 0.55 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.64 2a8i n ALA 132 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2a8i s LEU 133 N -7.15 4.04 0.34 0.00 2.96 -0.33 -2.84 118.68 115.72 2a8i s LEU 133 Ca 0.33 0.34 0.09 0.00 -0.22 0.00 0.00 54.13 54.67 2a8i s LEU 133 Cb -0.18 -2.48 -0.06 0.00 0.50 0.00 0.00 46.19 43.97 2a8i s LEU 133 CO 0.92 -0.21 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.75 2a8i s SER 134 N 1.62 3.91 0.00 3.68 1.04 -1.26 -0.27 113.70 122.42 2a8i s SER 134 Ca 0.16 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2a8i s SER 134 Cb -0.16 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.54 2a8i s SER 134 CO 0.10 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2a8i n GLY 135 N -0.86 0.61 3.12 7.32 0.00 -1.26 -4.80 105.19 109.31 2a8i n GLY 135 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2a8i n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a8i s ILE 136 N -2.56 1.57 0.07 -0.61 -1.09 -1.26 -0.63 121.20 116.70 2a8i s ILE 136 Ca 0.00 -0.74 -0.20 0.00 -2.23 0.00 0.00 60.65 57.48 2a8i s ILE 136 Cb 0.00 -1.39 -0.11 0.00 -1.58 0.00 0.00 42.46 39.38 2a8i s ILE 136 CO 0.00 0.45 1.51 0.50 -1.23 0.00 0.00 174.94 176.17 2a8i h LYS 137 N 6.84 0.32 -3.41 2.79 3.64 -1.88 -3.39 116.57 121.47 2a8i h LYS 137 Ca -0.25 -0.10 -0.65 0.00 -1.27 0.00 0.00 60.65 58.37 2a8i h LYS 137 Cb 1.21 -0.03 -0.39 0.00 -0.41 0.00 0.00 32.23 32.61 2a8i h LYS 137 CO 0.47 0.52 -0.55 -0.80 -2.27 0.00 0.00 179.45 176.82 2a8i s ASN 138 N -5.81 4.59 0.29 4.20 -0.87 -1.26 -4.60 114.94 111.48 2a8i s ASN 138 Ca -0.14 -3.02 0.04 0.00 -1.57 0.00 0.00 52.86 48.16 2a8i s ASN 138 Cb 0.06 -1.70 0.68 0.00 -0.02 0.00 0.00 41.25 40.28 2a8i s ASN 138 CO 0.72 -0.26 1.75 -0.65 -2.57 0.00 0.00 177.10 176.10 2a8i h PRO 139 N 6.57 0.60 -0.44 -0.60 0.11 -1.97 -1.11 132.00 135.16 2a8i h PRO 139 Ca -0.05 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.08 2a8i h PRO 139 Cb 0.90 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 2a8i h PRO 139 CO 0.70 0.40 0.30 -0.24 -0.21 0.00 0.00 178.00 178.94 2a8i h VAL 140 N 0.62 0.96 -0.60 3.15 3.04 -1.92 -1.19 116.25 120.31 2a8i h VAL 140 Ca 0.54 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 66.07 2a8i h VAL 140 Cb 0.89 0.57 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 2a8i h VAL 140 CO -0.42 0.06 0.21 0.28 -1.01 0.00 0.00 177.57 176.70 2a8i h SER 141 N 0.36 0.81 -0.15 3.17 0.02 -1.56 0.22 113.55 116.41 2a8i h SER 141 Ca 0.19 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2a8i h SER 141 Cb 0.31 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2a8i h SER 141 CO -0.05 0.75 -0.14 0.58 -1.14 0.00 0.00 176.83 176.84 2a8i h VAL 142 N 0.87 1.34 -0.91 2.27 2.07 -1.28 -1.00 116.25 119.61 2a8i h VAL 142 Ca 0.20 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.46 2a8i h VAL 142 Cb 0.21 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2a8i h VAL 142 CO -0.01 0.38 0.60 0.00 0.02 0.00 0.00 177.57 178.56 2a8i h ALA 143 N 0.63 1.37 -0.54 1.67 0.00 -1.07 -0.19 119.26 121.12 2a8i h ALA 143 Ca 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2a8i h ALA 143 Cb 0.66 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2a8i h ALA 143 CO 0.03 0.58 0.07 -0.97 0.00 0.00 0.00 179.25 178.97 2a8i h ASN 144 N 1.21 0.87 0.34 0.00 -1.24 -0.40 -2.25 115.58 114.11 2a8i h ASN 144 Ca 0.34 -0.27 -0.10 0.00 0.71 0.00 0.00 56.30 56.98 2a8i h ASN 144 Cb -0.11 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 2a8i h ASN 144 CO -0.08 0.91 -0.44 -0.09 -1.29 0.00 0.00 177.43 176.45 2a8i h ARG 145 N 0.78 0.13 -0.43 6.67 9.65 -0.41 -0.72 114.38 130.06 2a8i h ARG 145 Ca 0.16 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 58.87 2a8i h ARG 145 Cb 0.43 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 2a8i h ARG 145 CO 0.01 0.55 -0.18 -0.07 2.80 0.00 0.00 179.97 183.08 2a8i h LEU 146 N 0.11 0.83 -0.18 3.80 3.38 -0.86 -1.11 115.31 121.28 2a8i h LEU 146 Ca 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2a8i h LEU 146 Cb 0.82 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2a8i h LEU 146 CO 0.06 1.00 0.04 0.25 0.09 0.00 0.00 178.44 179.89 2a8i h LEU 147 N 0.73 0.28 -0.22 1.67 6.46 -0.93 -0.95 115.31 122.36 2a8i h LEU 147 Ca 0.11 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.67 2a8i h LEU 147 Cb 0.69 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 2a8i h LEU 147 CO 0.05 0.44 0.02 0.00 -0.62 0.00 0.00 178.44 178.33 2a8i h GLU 149 N 0.10 1.24 -0.71 0.00 4.39 -1.13 -1.50 114.58 116.97 2a8i h GLU 149 Ca 0.10 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.77 2a8i h GLU 149 Cb 0.11 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 2a8i h GLU 149 CO -0.15 0.84 0.47 0.78 -1.16 0.00 0.00 179.01 179.79 2a8i h GLY 150 N 1.27 0.95 1.46 -3.84 0.00 -0.56 0.06 103.07 102.41 2a8i h GLY 150 Ca 0.34 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 2a8i h GLY 150 CO -0.07 0.24 -0.27 1.46 0.00 0.00 0.00 176.54 177.90 2a8i h GLN 151 N 0.77 0.62 0.00 4.80 1.08 -0.40 -2.55 115.11 119.44 2a8i h GLN 151 Ca 0.30 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2a8i h GLN 151 Cb 0.21 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2a8i h GLN 151 CO -0.10 0.83 -0.30 0.87 -0.95 0.00 0.00 178.83 179.19 2a8i h LYS 152 N 0.54 0.00 0.00 1.46 1.57 -0.46 -2.60 116.57 117.08 2a8i h LYS 152 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2a8i h LYS 152 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2a8i h LYS 152 CO 0.06 0.30 0.00 0.78 -0.57 0.00 0.00 179.45 180.02 2a8i h GLY 153 N 0.97 0.00 1.85 3.86 0.00 -0.78 -3.16 103.07 105.82 2a8i h GLY 153 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2a8i h GLY 153 CO 0.04 0.00 -0.84 0.50 0.00 0.00 0.00 176.54 176.23 2a8i h LYS 154 N 0.00 0.13 -2.95 4.80 1.57 -1.44 -2.78 116.57 115.90 2a8i h LYS 154 Ca 0.00 -0.14 -0.56 0.00 -1.87 0.00 0.00 60.65 58.08 2a8i h LYS 154 Cb 0.53 0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.89 2a8i h LYS 154 CO 0.00 0.90 3.12 1.28 -0.57 0.00 0.00 179.45 184.17 2a8i n LEU 155 N -3.64 7.64 -2.85 2.94 4.32 -1.20 -4.67 117.00 119.55 2a8i n LEU 155 Ca -0.03 -3.95 -0.02 0.00 -0.02 0.00 0.00 56.01 52.00 2a8i n LEU 155 Cb 0.79 -1.45 -0.02 0.00 -1.62 0.00 0.00 43.42 41.12 2a8i n LEU 155 CO 0.47 1.77 -0.41 -1.20 -1.22 0.00 0.00 177.39 176.80 2a8i n SER 156 N 3.54 -4.66 -2.83 -1.43 7.64 -1.24 -5.01 113.62 109.63 2a8i n SER 156 Ca 0.68 1.12 -0.09 0.00 1.01 0.00 0.00 58.87 61.59 2a8i n SER 156 Cb 0.29 -3.58 0.01 0.00 -1.01 0.00 0.00 64.21 59.93 2a8i n SER 156 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a8i n ALA 157 N 1.80 -1.02 -0.27 -0.43 0.00 -1.05 -4.97 120.51 114.56 2a8i n ALA 157 Ca -0.17 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.75 2a8i n ALA 157 Cb 0.33 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2a8i n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a8i n GLY 158 N 2.23 0.73 3.77 0.00 0.00 -1.26 -4.61 105.19 106.05 2a8i n GLY 158 Ca 0.15 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2a8i n GLY 158 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a8i s ARG 159 N 0.00 2.73 0.14 1.61 1.70 -1.26 -4.91 118.95 118.96 2a8i s ARG 159 Ca 0.00 1.42 -0.35 0.00 -0.47 0.00 0.00 55.73 56.34 2a8i s ARG 159 Cb 0.00 -1.94 -0.16 0.00 -0.57 0.00 0.00 34.95 32.29 2a8i s ARG 159 CO 0.00 -1.31 1.35 -0.89 -1.08 0.00 0.00 175.30 173.37 2a8i n ILE 160 N -2.45 0.31 -1.08 4.99 5.41 -1.26 -4.95 119.36 120.32 2a8i n ILE 160 Ca 0.11 -0.08 -0.29 0.00 1.00 0.00 0.00 62.75 63.49 2a8i n ILE 160 Cb 0.52 -1.04 0.17 0.00 -0.71 0.00 0.00 39.64 38.58 2a8i n ILE 160 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2a8i s PRO 161 N 0.27 0.72 0.39 0.38 0.02 -1.26 -4.97 135.00 130.56 2a8i s PRO 161 Ca 0.79 0.77 -0.26 0.00 0.02 0.00 0.00 61.00 62.32 2a8i s PRO 161 Cb -0.84 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 31.84 2a8i s PRO 161 CO 0.47 -2.60 1.23 -2.14 -0.33 0.00 0.00 177.00 173.63 2a8i s PRO 162 N -4.87 4.05 -0.01 5.54 0.02 -1.26 -4.92 135.00 133.55 2a8i s PRO 162 Ca 0.65 2.00 0.10 0.00 0.02 0.00 0.00 61.00 63.76 2a8i s PRO 162 Cb -0.19 -2.75 -0.15 0.00 0.02 0.00 0.00 34.50 31.43 2a8i s PRO 162 CO 0.58 -0.37 0.27 0.00 -0.33 0.00 0.00 177.00 177.15 2a8i s PHE 164 N -2.53 0.43 0.05 0.00 5.36 -1.26 -0.60 117.98 119.43 2a8i s PHE 164 Ca -0.02 -0.14 0.06 0.00 -0.96 0.00 0.00 56.93 55.87 2a8i s PHE 164 Cb 0.07 -0.71 -0.02 0.00 -0.34 0.00 0.00 43.02 42.02 2a8i s PHE 164 CO 0.42 -0.35 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.14 2a8i s LEU 165 N 2.05 2.18 0.28 6.12 1.43 -0.99 -5.03 118.68 124.73 2a8i s LEU 165 Ca 0.04 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2a8i s LEU 165 Cb -0.13 -0.79 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 2a8i s LEU 165 CO -0.06 0.09 0.03 0.68 0.23 0.00 0.00 176.35 177.32 2a8i s VAL 166 N -0.86 1.13 0.00 -1.59 -7.23 -1.26 -2.15 120.40 108.43 2a8i s VAL 166 Ca 0.04 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2a8i s VAL 166 Cb -0.08 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.28 2a8i s VAL 166 CO 0.02 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 2a8i n GLY 167 N -0.56 2.12 0.37 2.32 0.00 -0.58 -1.91 105.19 106.96 2a8i n GLY 167 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.81 2a8i n GLY 167 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2a8i h GLU 168 N 0.00 1.14 -0.45 1.61 4.57 -1.93 -1.94 114.58 117.58 2a8i h GLU 168 Ca 0.00 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 2a8i h GLU 168 Cb 0.00 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 2a8i h GLU 168 CO 0.00 0.75 0.00 0.78 -1.18 0.00 0.00 179.01 179.36 2a8i h GLY 169 N 1.17 0.79 1.05 1.92 0.00 -1.96 -0.63 103.07 105.41 2a8i h GLY 169 Ca 0.43 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 2a8i h GLY 169 CO -0.17 0.47 -0.05 0.00 0.00 0.00 0.00 176.54 176.79 2a8i h ALA 170 N 1.32 0.71 0.07 3.60 0.00 -0.67 -1.00 119.26 123.28 2a8i h ALA 170 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2a8i h ALA 170 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2a8i h ALA 170 CO 0.02 0.57 -0.03 -0.92 0.00 0.00 0.00 179.25 178.89 2a8i h TYR 171 N 0.82 -0.08 -0.83 0.00 3.20 -1.02 -1.24 116.97 117.83 2a8i h TYR 171 Ca 0.14 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.06 2a8i h TYR 171 Cb 0.60 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 2a8i h TYR 171 CO 0.04 0.01 0.52 0.00 -1.64 0.00 0.00 178.16 177.09 2a8i h ARG 172 N -0.16 0.95 -0.67 1.82 2.47 -0.97 -0.87 114.38 116.95 2a8i h ARG 172 Ca -0.01 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 2a8i h ARG 172 Cb 0.13 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 2a8i h ARG 172 CO 0.01 0.63 0.17 2.35 0.56 0.00 0.00 179.97 183.70 2a8i h TRP 173 N 0.98 1.10 0.45 3.04 7.01 -1.03 -0.80 115.95 126.70 2a8i h TRP 173 Ca 0.35 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 61.21 2a8i h TRP 173 Cb 0.09 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2a8i h TRP 173 CO -0.03 0.89 -0.21 0.00 -2.79 0.00 0.00 178.44 176.30 2a8i h ALA 174 N 1.17 -0.60 -0.14 2.65 0.00 -0.30 -2.37 119.26 119.68 2a8i h ALA 174 Ca 0.22 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2a8i h ALA 174 Cb 0.34 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2a8i h ALA 174 CO -0.00 -0.74 -0.15 0.28 0.00 0.00 0.00 179.25 178.63 2a8i h VAL 175 N -0.79 0.58 0.00 0.00 2.07 -1.15 -0.25 116.25 116.71 2a8i h VAL 175 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2a8i h VAL 175 Cb 0.55 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2a8i h VAL 175 CO 0.10 0.00 0.06 0.44 0.02 0.00 0.00 177.57 178.19 2a8i h ASP 176 N -0.19 0.00 -0.50 0.57 3.32 -1.11 -0.01 116.42 118.50 2a8i h ASP 176 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2a8i h ASP 176 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2a8i h ASP 176 CO -0.25 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.68 2a8i n HIS 177 N -2.41 1.01 -1.24 4.55 8.25 -0.17 -4.96 115.22 120.23 2a8i n HIS 177 Ca -0.02 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 2a8i n HIS 177 Cb 0.10 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.06 2a8i n HIS 177 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a8i n GLY 178 N 0.74 0.45 3.71 -1.41 0.00 -0.02 -5.05 105.19 103.62 2a8i n GLY 178 Ca 0.20 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 2a8i n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a8i s ILE 179 N -2.00 5.31 0.08 -0.61 1.01 -0.81 -5.02 121.20 119.16 2a8i s ILE 179 Ca 0.00 0.50 -0.34 0.00 0.00 0.00 0.00 60.65 60.80 2a8i s ILE 179 Cb 0.00 -3.62 -0.14 0.00 0.01 0.00 0.00 42.46 38.72 2a8i s ILE 179 CO 0.00 0.37 1.64 -2.65 0.00 0.00 0.00 174.94 174.29 2a8i n PRO 180 N 3.81 2.06 -3.30 2.79 -0.02 -1.26 -4.20 135.00 134.87 2a8i n PRO 180 Ca -0.12 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 2a8i n PRO 180 Cb 0.52 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 2a8i n PRO 180 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2a8i s SER 181 N 1.71 6.74 -0.08 2.55 1.04 -1.26 -3.84 113.70 120.55 2a8i s SER 181 Ca 0.83 1.09 0.02 0.00 0.48 0.00 0.00 55.95 58.37 2a8i s SER 181 Cb -0.71 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.13 2a8i s SER 181 CO 0.43 -0.07 -0.12 0.00 0.98 0.00 0.00 173.24 174.45 2a8i s PRO 183 N 0.88 2.95 0.45 0.00 0.02 -1.26 -4.39 135.00 133.64 2a8i s PRO 183 Ca -0.10 1.57 0.15 0.00 0.02 0.00 0.00 61.00 62.64 2a8i s PRO 183 Cb -0.15 -1.95 1.07 0.00 0.02 0.00 0.00 34.50 33.49 2a8i s PRO 183 CO 0.01 -1.16 1.98 -1.35 -0.33 0.00 0.00 177.00 176.15 2a8i h PRO 184 N 0.54 0.35 0.00 5.54 0.11 -1.99 -0.61 132.00 135.94 2a8i h PRO 184 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2a8i h PRO 184 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2a8i h PRO 184 CO 0.55 0.23 0.00 0.27 -0.21 0.00 0.00 178.00 178.84 2a8i n ASN 185 N -4.46 0.64 -2.11 -2.05 6.94 -1.26 -1.61 115.26 111.34 2a8i n ASN 185 Ca 0.09 0.65 -0.23 0.00 -0.02 0.00 0.00 54.58 55.08 2a8i n ASN 185 Cb 0.39 -0.79 0.17 0.00 -2.36 0.00 0.00 39.78 37.19 2a8i n ASN 185 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2a8i n ILE 186 N -2.20 3.16 0.00 1.53 5.41 -0.24 -4.83 119.36 122.19 2a8i n ILE 186 Ca 0.02 -2.10 0.00 0.00 1.00 0.00 0.00 62.75 61.67 2a8i n ILE 186 Cb 0.23 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 2a8i n ILE 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2a8i n THR 188 N -1.13 0.00 -4.26 1.39 -1.04 -0.63 -4.79 114.28 103.81 2a8i n THR 188 Ca 0.57 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 62.33 2a8i n THR 188 Cb 1.53 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.96 2a8i n THR 188 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2a8i s THR 189 N 0.00 2.49 0.20 12.58 -4.23 -1.26 -4.93 115.64 120.48 2a8i s THR 189 Ca 0.00 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.56 2a8i s THR 189 Cb 0.00 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 71.06 2a8i s THR 189 CO 0.00 -0.10 1.85 -0.09 -0.54 0.00 0.00 174.62 175.74 2a8i h ARG 190 N 1.63 0.95 -0.48 3.99 2.43 -1.99 -1.33 114.38 119.58 2a8i h ARG 190 Ca -0.43 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 58.57 2a8i h ARG 190 Cb 1.25 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2a8i h ARG 190 CO 0.69 0.66 -0.07 0.74 -1.51 0.00 0.00 179.97 180.48 2a8i h PHE 191 N 0.96 0.98 -0.31 2.20 0.04 -1.98 -0.29 116.94 118.54 2a8i h PHE 191 Ca 0.26 -0.20 -0.13 0.00 2.80 0.00 0.00 57.97 60.70 2a8i h PHE 191 Cb -0.06 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 2a8i h PHE 191 CO -0.02 0.95 -0.34 0.66 -0.60 0.00 0.00 178.31 178.96 2a8i h SER 192 N 0.73 0.71 -0.66 2.17 4.64 -1.87 -0.42 113.55 118.85 2a8i h SER 192 Ca 0.13 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 2a8i h SER 192 Cb 0.60 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 2a8i h SER 192 CO 0.04 0.99 0.21 0.25 -0.87 0.00 0.00 176.83 177.45 2a8i h LEU 193 N 0.57 0.95 -0.79 5.97 5.85 -1.10 -1.25 115.31 125.52 2a8i h LEU 193 Ca 0.06 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 2a8i h LEU 193 Cb 0.85 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2a8i h LEU 193 CO 0.07 0.90 -0.16 0.00 -0.34 0.00 0.00 178.44 178.91 2a8i h ALA 194 N 1.09 0.97 -0.23 1.25 0.00 -0.73 -2.55 119.26 119.05 2a8i h ALA 194 Ca 0.21 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2a8i h ALA 194 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2a8i h ALA 194 CO -0.01 0.60 -0.28 0.00 0.00 0.00 0.00 179.25 179.57 2a8i h ALA 195 N 1.16 1.08 0.46 0.00 0.00 -0.79 -2.20 119.26 118.96 2a8i h ALA 195 Ca 0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2a8i h ALA 195 Cb 0.65 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2a8i h ALA 195 CO 0.05 0.57 -0.26 0.35 0.00 0.00 0.00 179.25 179.95 2a8i h PHE 196 N 0.40 -0.67 -0.67 0.00 3.57 -0.85 0.11 116.94 118.83 2a8i h PHE 196 Ca 0.06 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2a8i h PHE 196 Cb 0.70 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 2a8i h PHE 196 CO 0.02 -0.40 0.37 0.87 -2.23 0.00 0.00 178.31 176.94 2a8i h LYS 197 N -0.67 0.66 0.31 1.11 1.57 -1.35 0.28 116.57 118.48 2a8i h LYS 197 Ca -0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2a8i h LYS 197 Cb 0.54 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2a8i h LYS 197 CO 0.07 0.44 -0.15 0.00 -0.57 0.00 0.00 179.45 179.24 2a8i h ARG 198 N 0.68 -0.41 -0.71 3.15 3.08 -1.14 -1.33 114.38 117.70 2a8i h ARG 198 Ca 0.30 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.48 2a8i h ARG 198 Cb 0.20 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 2a8i h ARG 198 CO -0.19 -0.27 0.34 -0.91 -1.07 0.00 0.00 179.97 177.87 2a8i h ASN 199 N -0.42 0.43 0.45 7.04 -0.26 -0.29 0.94 115.58 123.47 2a8i h ASN 199 Ca -0.04 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 2a8i h ASN 199 Cb 0.32 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 2a8i h ASN 199 CO 0.07 0.24 -0.31 0.11 -1.06 0.00 0.00 177.43 176.48 2a8i h LYS 200 N 0.58 -0.72 -0.63 0.81 1.79 -0.76 -2.09 116.57 115.55 2a8i h LYS 200 Ca 0.35 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 59.00 2a8i h LYS 200 Cb 0.39 0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 31.11 2a8i h LYS 200 CO -0.28 -0.48 0.07 -0.09 -1.08 0.00 0.00 179.45 177.59 2a8i h ARG 201 N -0.75 0.17 0.00 3.15 9.65 -0.50 0.18 114.38 126.29 2a8i h ARG 201 Ca -0.05 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2a8i h ARG 201 Cb 0.63 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2a8i h ARG 201 CO 0.02 0.12 0.00 0.87 2.80 0.00 0.00 179.97 183.78 2a8i h LYS 202 N 0.18 0.00 0.14 0.20 1.57 -0.50 -2.07 116.57 116.09 2a8i h LYS 202 Ca 0.34 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.84 2a8i h LYS 202 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2a8i h LYS 202 CO -0.49 0.00 -1.39 -0.07 -0.57 0.00 0.00 179.45 176.93 2a8i h LEU 203 N 0.00 0.45 -2.36 2.94 3.38 0.01 -3.26 115.31 116.48 2a8i h LEU 203 Ca 0.00 -0.88 -0.01 0.00 0.09 0.00 0.00 57.88 57.08 2a8i h LEU 203 Cb 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2a8i h LEU 203 CO 0.00 1.62 -0.03 -0.33 0.09 0.00 0.00 178.44 179.79 2a8i h GLU 204 N -0.23 0.00 0.00 1.13 4.39 -0.89 -3.52 114.58 115.47 2a8i h GLU 204 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2a8i h GLU 204 Cb 1.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 2a8i h GLU 204 CO 0.10 0.03 -0.18 1.28 -1.16 0.00 0.00 179.01 179.08 2a8i n LEU 205 N -3.74 0.58 0.00 1.33 4.32 -0.82 -5.12 117.00 113.55 2a8i n LEU 205 Ca -0.03 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 2a8i n LEU 205 Cb 0.12 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 2a8i n LEU 205 CO 0.28 -0.48 0.00 0.61 -1.22 0.00 0.00 177.39 176.57 2a8i n GLY 230 N 1.67 2.28 0.20 -0.72 0.00 -1.26 -4.98 105.19 102.39 2a8i n GLY 230 Ca -0.03 -0.42 0.15 0.00 0.00 0.00 0.00 46.02 45.72 2a8i n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a8i h THR 231 N 0.00 0.00 -0.00 2.61 1.03 -1.99 -1.27 112.91 113.29 2a8i h THR 231 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 2a8i h THR 231 Cb 0.00 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 2a8i h THR 231 CO 0.00 0.00 -0.12 0.18 -0.01 0.00 0.00 175.52 175.57 2a8i n LEU 232 N -2.61 0.42 -1.86 0.00 4.32 -1.26 -4.36 117.00 111.64 2a8i n LEU 232 Ca 0.01 0.05 -0.07 0.00 -0.02 0.00 0.00 56.01 55.98 2a8i n LEU 232 Cb 0.22 -0.21 -0.10 0.00 -1.62 0.00 0.00 43.42 41.71 2a8i n LEU 232 CO 0.21 0.08 1.28 0.47 -1.22 0.00 0.00 177.39 178.21 2a8i n ASP 233 N -1.04 4.74 -4.59 -1.43 10.43 -0.48 -3.04 116.55 121.14 2a8i n ASP 233 Ca 0.13 -2.34 -0.29 0.00 2.57 0.00 0.00 54.79 54.86 2a8i n ASP 233 Cb 0.28 -1.18 0.13 0.00 1.84 0.00 0.00 41.12 42.19 2a8i n ASP 233 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2a8i s THR 234 N 0.83 2.00 0.17 -3.53 -4.23 -1.26 -0.91 115.64 108.71 2a8i s THR 234 Ca 0.38 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.95 2a8i s THR 234 Cb 0.18 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 2a8i s THR 234 CO 0.00 0.00 -0.13 0.68 -0.54 0.00 0.00 174.62 174.63 2a8i s VAL 235 N -3.69 1.51 0.14 2.29 -7.23 -0.89 -0.26 120.40 112.26 2a8i s VAL 235 Ca 0.67 -2.07 -0.25 0.00 -1.81 0.00 0.00 61.98 58.52 2a8i s VAL 235 Cb -0.08 -1.89 0.06 0.00 0.56 0.00 0.00 36.38 35.04 2a8i s VAL 235 CO 0.51 -0.59 0.90 -0.83 -0.31 0.00 0.00 175.10 174.77 2a8i s GLY 236 N -3.08 -0.27 0.04 2.32 0.00 -0.98 -1.46 107.32 103.88 2a8i s GLY 236 Ca 0.18 0.24 -0.27 0.00 0.00 0.00 0.00 44.72 44.86 2a8i s GLY 236 CO 0.04 0.05 0.69 0.00 0.00 0.00 0.00 173.10 173.89 2a8i s ALA 237 N -3.36 -1.72 0.00 3.20 0.00 -0.65 -1.05 121.76 118.20 2a8i s ALA 237 Ca 0.10 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2a8i s ALA 237 Cb -0.02 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 2a8i s ALA 237 CO 0.00 -0.57 -0.03 0.14 0.00 0.00 0.00 175.76 175.31 2a8i s VAL 238 N -2.47 0.20 0.04 0.00 -7.23 -0.12 -1.58 120.40 109.24 2a8i s VAL 238 Ca -0.04 -0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2a8i s VAL 238 Cb -0.01 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.70 2a8i s VAL 238 CO -0.02 -0.04 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.02 2a8i s VAL 239 N -0.30 0.16 -0.03 1.32 1.01 -0.45 -1.40 120.40 120.70 2a8i s VAL 239 Ca -0.02 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 60.63 2a8i s VAL 239 Cb -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2a8i s VAL 239 CO -0.00 -0.73 0.01 0.54 0.00 0.00 0.00 175.10 174.92 2a8i s VAL 240 N -2.69 0.10 0.75 2.92 0.11 -0.78 -1.36 120.40 119.45 2a8i s VAL 240 Ca -0.04 0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2a8i s VAL 240 Cb -0.01 -0.23 0.14 0.00 -1.53 0.00 0.00 36.38 34.75 2a8i s VAL 240 CO -0.05 0.14 1.04 1.51 -3.33 0.00 0.00 175.10 174.41 2a8i s ASP 241 N 1.21 4.18 0.26 3.54 1.47 0.15 -2.15 116.67 125.32 2a8i s ASP 241 Ca -0.07 -0.29 0.21 0.00 1.18 0.00 0.00 52.55 53.57 2a8i s ASP 241 Cb -0.13 -0.03 1.00 0.00 -0.34 0.00 0.00 42.92 43.42 2a8i s ASP 241 CO -0.02 -1.98 1.63 0.00 0.68 0.00 0.00 175.17 175.47 2a8i n HIS 242 N -2.96 0.69 1.10 2.11 1.44 -1.23 -1.31 115.22 115.05 2a8i n HIS 242 Ca 0.15 0.32 0.12 0.00 -2.01 0.00 0.00 57.72 56.30 2a8i n HIS 242 Cb 0.60 -1.01 0.17 0.00 0.12 0.00 0.00 29.99 29.87 2a8i n HIS 242 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2a8i n GLU 243 N -2.17 0.71 -0.09 -1.40 1.02 -1.26 -4.91 120.64 112.54 2a8i n GLU 243 Ca 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 2a8i n GLU 243 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2a8i n GLU 243 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a8i n GLY 244 N 1.41 0.85 3.72 0.62 0.00 -0.43 -5.06 105.19 106.31 2a8i n GLY 244 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2a8i n GLY 244 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a8i s ASN 245 N -2.27 7.31 0.35 1.61 0.01 -1.26 -4.81 114.94 115.89 2a8i s ASN 245 Ca 0.00 1.58 0.08 0.00 -0.71 0.00 0.00 52.86 53.81 2a8i s ASN 245 Cb 0.00 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 2a8i s ASN 245 CO 0.00 -0.15 0.22 0.68 -1.51 0.00 0.00 177.10 176.34 2a8i s VAL 246 N 0.58 3.06 -0.02 1.60 -7.23 -1.26 -0.68 120.40 116.45 2a8i s VAL 246 Ca 0.46 -1.56 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 2a8i s VAL 246 Cb -0.21 -3.04 0.08 0.00 0.56 0.00 0.00 36.38 33.76 2a8i s VAL 246 CO 0.26 -0.14 0.70 0.00 -0.31 0.00 0.00 175.10 175.61 2a8i s ALA 247 N -2.41 -1.75 0.03 1.32 0.00 -0.47 -1.21 121.76 117.27 2a8i s ALA 247 Ca 0.40 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.48 2a8i s ALA 247 Cb -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 2a8i s ALA 247 CO 0.24 -0.45 0.10 0.00 0.00 0.00 0.00 175.76 175.65 2a8i s ALA 248 N -1.72 -0.11 0.08 0.00 0.00 -1.26 -1.35 121.76 117.40 2a8i s ALA 248 Ca -0.08 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.25 2a8i s ALA 248 Cb -0.00 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.37 2a8i s ALA 248 CO 0.04 -0.29 0.38 0.00 0.00 0.00 0.00 175.76 175.89 2a8i s ALA 249 N -2.32 -0.89 -0.05 0.00 0.00 -0.61 -4.33 121.76 113.56 2a8i s ALA 249 Ca -0.07 0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 2a8i s ALA 249 Cb -0.03 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.60 2a8i s ALA 249 CO -0.03 -0.52 0.34 0.54 0.00 0.00 0.00 175.76 176.09 2a8i s VAL 250 N -3.05 0.04 -0.04 0.00 0.11 -0.71 -1.63 120.40 115.11 2a8i s VAL 250 Ca -0.02 -0.33 -0.06 0.00 -2.93 0.00 0.00 61.98 58.64 2a8i s VAL 250 Cb 0.01 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2a8i s VAL 250 CO -0.07 -0.18 0.16 -0.55 -3.33 0.00 0.00 175.10 171.14 2a8i s SER 251 N -0.93 -0.11 0.05 3.54 0.15 -0.53 -1.66 113.70 114.21 2a8i s SER 251 Ca -0.10 0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.53 2a8i s SER 251 Cb -0.04 0.30 0.04 0.00 -1.71 0.00 0.00 66.02 64.61 2a8i s SER 251 CO 0.04 -0.16 0.42 -0.55 1.20 0.00 0.00 173.24 174.18 2a8i s SER 252 N -0.40 -0.29 0.00 5.45 0.15 0.64 -2.10 113.70 117.15 2a8i s SER 252 Ca -0.05 -0.02 0.24 0.00 0.70 0.00 0.00 55.95 56.81 2a8i s SER 252 Cb -0.03 0.44 0.18 0.00 -1.71 0.00 0.00 66.02 64.90 2a8i s SER 252 CO 0.01 -0.69 1.22 0.61 1.20 0.00 0.00 173.24 175.58 2a8i n GLY 253 N 0.40 0.12 5.12 9.45 0.00 -0.09 -1.06 105.19 119.13 2a8i n GLY 253 Ca -0.18 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.24 2a8i n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a8i n GLY 254 N 1.39 -2.01 3.75 -0.02 0.00 -1.26 -4.58 105.19 102.46 2a8i n GLY 254 Ca 0.11 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 2a8i n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a8i s LEU 255 N 0.00 4.38 0.18 0.99 1.43 -1.26 -4.75 118.68 119.66 2a8i s LEU 255 Ca 0.00 2.71 -0.26 0.00 -1.03 0.00 0.00 54.13 55.55 2a8i s LEU 255 Cb 0.00 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.63 2a8i s LEU 255 CO 0.00 -0.70 1.55 0.00 0.23 0.00 0.00 176.35 177.42 2a8i h ALA 256 N 4.72 -0.30 -0.99 4.21 0.00 -1.89 -2.53 119.26 122.48 2a8i h ALA 256 Ca -0.47 0.17 -0.61 0.00 0.00 0.00 0.00 54.91 54.00 2a8i h ALA 256 Cb 1.22 1.23 -0.38 0.00 0.00 0.00 0.00 17.79 19.86 2a8i h ALA 256 CO 0.76 -0.85 -0.18 1.28 0.00 0.00 0.00 179.25 180.26 2a8i n LEU 257 N -5.34 5.86 -4.75 0.00 4.32 -1.26 -3.42 117.00 112.42 2a8i n LEU 257 Ca 0.05 -4.73 -0.36 0.00 -0.02 0.00 0.00 56.01 50.94 2a8i n LEU 257 Cb 0.31 -0.60 0.04 0.00 -1.62 0.00 0.00 43.42 41.55 2a8i n LEU 257 CO -0.14 1.94 0.86 -1.59 -1.22 0.00 0.00 177.39 177.23 2a8i s LYS 258 N -3.70 2.98 0.44 3.23 -2.85 -0.95 -3.61 119.74 115.28 2a8i s LYS 258 Ca 0.54 1.88 -0.25 0.00 -1.00 0.00 0.00 55.97 57.14 2a8i s LYS 258 Cb 0.44 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 34.16 2a8i s LYS 258 CO -0.06 -1.21 1.30 -1.58 0.10 0.00 0.00 175.35 173.90 2a8i s HIS 259 N -1.55 2.71 0.47 1.78 5.65 -1.26 -0.86 115.29 122.22 2a8i s HIS 259 Ca 0.77 1.41 -0.23 0.00 0.25 0.00 0.00 55.06 57.26 2a8i s HIS 259 Cb -0.32 -3.67 -0.09 0.00 -1.18 0.00 0.00 32.58 27.32 2a8i s HIS 259 CO 0.35 -2.21 1.08 -2.30 -0.65 0.00 0.00 174.74 171.00 2a8i n PRO 260 N -0.18 1.40 -0.95 2.88 -0.02 -1.26 -2.08 135.00 134.78 2a8i n PRO 260 Ca 0.05 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2a8i n PRO 260 Cb 0.44 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2a8i n PRO 260 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a8i n GLY 261 N 1.10 0.92 3.69 -1.23 0.00 -1.26 -5.01 105.19 103.40 2a8i n GLY 261 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2a8i n GLY 261 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a8i s ARG 262 N -0.05 4.40 -0.13 1.61 3.52 -0.88 -4.93 118.95 122.50 2a8i s ARG 262 Ca 0.00 1.60 -0.02 0.00 -0.13 0.00 0.00 55.73 57.19 2a8i s ARG 262 Cb 0.00 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2a8i s ARG 262 CO 0.00 -0.35 -0.07 0.08 -0.81 0.00 0.00 175.30 174.15 2a8i s VAL 263 N 1.89 3.62 0.03 7.11 1.01 -1.26 -4.63 120.40 128.16 2a8i s VAL 263 Ca 0.54 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2a8i s VAL 263 Cb -0.24 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2a8i s VAL 263 CO 0.23 0.53 0.03 0.61 0.00 0.00 0.00 175.10 176.50 2a8i n GLY 264 N 3.19 2.45 0.30 4.51 0.00 -1.26 -5.02 105.19 109.36 2a8i n GLY 264 Ca -0.18 -2.15 0.12 0.00 0.00 0.00 0.00 46.02 43.81 2a8i n GLY 264 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2a8i h GLN 265 N 0.00 0.00 0.00 1.61 -0.00 -1.95 -2.68 115.11 112.09 2a8i h GLN 265 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2a8i h GLN 265 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 2a8i h GLN 265 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.85 2a8i h ALA 266 N 1.92 1.00 0.00 0.06 0.00 -1.92 -1.98 119.26 118.34 2a8i h ALA 266 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2a8i h ALA 266 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2a8i h ALA 266 CO -0.00 0.00 -0.99 0.00 0.00 0.00 0.00 179.25 178.26 2a8i n ALA 267 N -1.87 3.63 -2.66 0.00 0.00 -1.01 -2.29 120.51 116.31 2a8i n ALA 267 Ca -0.01 -0.42 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 2a8i n ALA 267 Cb 0.11 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 2a8i n ALA 267 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a8i s LEU 268 N -3.09 4.14 0.09 0.00 1.43 -0.90 -4.76 118.68 115.60 2a8i s LEU 268 Ca 0.03 0.83 -0.36 0.00 -1.03 0.00 0.00 54.13 53.60 2a8i s LEU 268 Cb 0.11 -2.89 -0.15 0.00 0.03 0.00 0.00 46.19 43.29 2a8i s LEU 268 CO 0.64 -0.28 1.47 0.00 0.23 0.00 0.00 176.35 178.41 2a8i n TYR 269 N 5.07 1.86 0.00 0.29 9.36 -1.26 -1.03 117.16 131.45 2a8i n TYR 269 Ca -0.01 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.67 2a8i n TYR 269 Cb 0.50 -2.43 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 2a8i n TYR 269 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2a8i n GLY 270 N 3.03 2.96 0.12 2.98 0.00 -1.26 -4.81 105.19 108.22 2a8i n GLY 270 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2a8i n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a8i h GLY 272 N -1.00 0.31 -2.18 0.00 0.00 -1.10 -3.22 103.07 95.88 2a8i h GLY 272 Ca -0.54 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.10 2a8i h GLY 272 CO -0.33 0.50 -0.21 0.00 0.00 0.00 0.00 176.54 176.50 2a8i s TRP 274 N -3.84 -0.68 -0.11 0.00 -0.11 -0.39 -4.00 118.94 109.81 2a8i s TRP 274 Ca 0.27 1.64 -0.05 0.00 1.22 0.00 0.00 56.10 59.17 2a8i s TRP 274 Cb 0.01 0.31 0.05 0.00 -1.50 0.00 0.00 33.47 32.34 2a8i s TRP 274 CO 0.12 -0.35 0.25 0.00 -4.62 0.00 0.00 176.95 172.35 2a8i s ALA 275 N 0.21 -0.55 -0.16 5.86 0.00 -1.26 0.36 121.76 126.22 2a8i s ALA 275 Ca 0.00 0.97 -0.05 0.00 0.00 0.00 0.00 51.96 52.87 2a8i s ALA 275 Cb -0.05 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.38 2a8i s ALA 275 CO -0.00 -0.36 0.33 -2.00 0.00 0.00 0.00 175.76 173.72 2a8i s GLU 276 N 1.68 0.23 0.81 0.00 2.12 0.20 -3.96 118.70 119.78 2a8i s GLU 276 Ca -0.05 0.82 -0.11 0.00 0.36 0.00 0.00 54.97 55.99 2a8i s GLU 276 Cb -0.11 0.03 0.08 0.00 0.26 0.00 0.00 34.13 34.38 2a8i s GLU 276 CO -0.08 -0.31 1.09 -0.80 -0.54 0.00 0.00 175.26 174.61 2a8i s ASN 277 N 2.50 4.34 0.29 -1.70 0.02 -0.34 -0.68 114.94 119.37 2a8i s ASN 277 Ca 0.01 1.49 -0.29 0.00 -1.02 0.00 0.00 52.86 53.05 2a8i s ASN 277 Cb -0.12 -2.22 -0.13 0.00 0.02 0.00 0.00 41.25 38.79 2a8i s ASN 277 CO -0.11 -2.09 1.17 0.41 0.02 0.00 0.00 177.10 176.50 2a8i n THR 278 N -3.53 1.79 -3.93 1.60 -1.04 -1.25 -4.74 114.28 103.18 2a8i n THR 278 Ca 0.07 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.05 61.53 2a8i n THR 278 Cb 0.55 -1.26 -0.01 0.00 -1.82 0.00 0.00 70.33 67.79 2a8i n THR 278 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2a8i s GLY 279 N -0.32 0.72 0.21 3.41 0.00 0.43 -4.94 107.32 106.82 2a8i s GLY 279 Ca 0.60 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 44.22 2a8i s GLY 279 CO 0.59 -0.56 1.30 0.00 0.00 0.00 0.00 173.10 174.44 2a8i n ALA 280 N -0.52 0.02 -1.74 3.20 0.00 -1.26 0.10 120.51 120.32 2a8i n ALA 280 Ca -0.04 0.87 -0.29 0.00 0.00 0.00 0.00 53.44 53.98 2a8i n ALA 280 Cb 0.61 -0.45 0.04 0.00 0.00 0.00 0.00 19.45 19.65 2a8i n ALA 280 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2a8i n HIS 281 N -5.29 2.96 -2.92 0.00 8.25 -1.26 -4.74 115.22 112.22 2a8i n HIS 281 Ca 0.11 -2.57 -0.11 0.00 -0.26 0.00 0.00 57.72 54.89 2a8i n HIS 281 Cb 0.37 -0.81 -0.01 0.00 1.12 0.00 0.00 29.99 30.66 2a8i n HIS 281 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2a8i n ASN 282 N -0.80 -2.45 0.01 0.41 2.85 0.28 -5.02 115.26 110.54 2a8i n ASN 282 Ca 0.52 -2.87 0.18 0.00 -0.11 0.00 0.00 54.58 52.29 2a8i n ASN 282 Cb 0.84 1.11 0.65 0.00 1.24 0.00 0.00 39.78 43.62 2a8i n ASN 282 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2a8i h PRO 283 N 4.83 0.07 -6.74 1.20 0.11 -1.85 1.24 132.00 130.86 2a8i h PRO 283 Ca 0.06 -0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.48 2a8i h PRO 283 Cb 1.03 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 31.91 2a8i h PRO 283 CO 0.19 0.05 -0.83 0.71 -0.21 0.00 0.00 178.00 177.90 2a8i s TYR 284 N -5.09 2.45 -0.10 0.65 2.02 -1.26 -4.83 117.35 111.19 2a8i s TYR 284 Ca -0.05 -0.31 -0.24 0.00 -0.37 0.00 0.00 57.07 56.09 2a8i s TYR 284 Cb 0.19 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.37 2a8i s TYR 284 CO 0.73 0.31 0.75 -1.12 -1.57 0.00 0.00 175.55 174.64 2a8i s SER 285 N -1.84 6.98 0.03 2.29 0.01 0.39 -3.88 113.70 117.69 2a8i s SER 285 Ca 0.15 1.19 0.05 0.00 1.31 0.00 0.00 55.95 58.65 2a8i s SER 285 Cb -0.10 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2a8i s SER 285 CO 0.07 -0.21 -0.15 0.42 0.41 0.00 0.00 173.24 173.78 2a8i s THR 286 N 1.25 1.17 -0.01 1.44 -4.23 0.15 -0.41 115.64 115.00 2a8i s THR 286 Ca 0.38 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2a8i s THR 286 Cb -0.18 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.62 2a8i s THR 286 CO 0.17 0.06 -0.03 0.00 -0.54 0.00 0.00 174.62 174.28 2a8i s ALA 287 N -0.78 0.31 0.01 3.99 0.00 -0.43 -0.63 121.76 124.23 2a8i s ALA 287 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2a8i s ALA 287 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 2a8i s ALA 287 CO 0.01 0.05 -0.02 0.08 0.00 0.00 0.00 175.76 175.88 2a8i s VAL 288 N 0.10 0.11 0.01 0.00 1.01 0.16 -1.28 120.40 120.51 2a8i s VAL 288 Ca -0.01 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2a8i s VAL 288 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2a8i s VAL 288 CO -0.00 -0.21 -0.03 -0.55 0.00 0.00 0.00 175.10 174.30 2a8i s SER 289 N -0.69 0.36 0.41 3.32 0.15 -0.66 -1.27 113.70 115.32 2a8i s SER 289 Ca -0.07 -0.24 0.07 0.00 0.70 0.00 0.00 55.95 56.41 2a8i s SER 289 Cb -0.05 0.01 -0.07 0.00 -1.71 0.00 0.00 66.02 64.21 2a8i s SER 289 CO -0.00 -0.10 0.06 0.42 1.20 0.00 0.00 173.24 174.82 2a8i s THR 290 N -0.64 2.10 0.17 6.45 -4.23 -0.75 -1.17 115.64 117.58 2a8i s THR 290 Ca -0.05 -1.92 -0.24 0.00 -1.18 0.00 0.00 61.69 58.30 2a8i s THR 290 Cb -0.05 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.86 2a8i s THR 290 CO -0.00 -0.01 0.80 -0.94 -0.54 0.00 0.00 174.62 173.93 2a8i s SER 291 N -3.76 -0.31 0.00 3.99 1.04 -0.57 -4.76 113.70 109.33 2a8i s SER 291 Ca 0.37 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2a8i s SER 291 Cb 0.08 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2a8i s SER 291 CO 0.19 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2a8i n GLY 292 N -0.42 0.20 3.60 7.32 0.00 -1.26 -0.78 105.19 113.86 2a8i n GLY 292 Ca -0.08 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 2a8i n GLY 292 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a8i h GLY 294 N 12.15 0.65 0.90 0.00 0.00 -1.92 -0.91 103.07 113.93 2a8i h GLY 294 Ca -0.28 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.28 2a8i h GLY 294 CO 1.07 -0.27 0.58 0.83 0.00 0.00 0.00 176.54 178.76 2a8i h GLU 295 N 0.05 1.00 -0.54 4.80 4.39 -1.96 -1.45 114.58 120.87 2a8i h GLU 295 Ca 0.36 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.91 2a8i h GLU 295 Cb 0.60 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2a8i h GLU 295 CO -0.68 0.66 -0.04 0.45 -1.16 0.00 0.00 179.01 178.24 2a8i h HIS 296 N 1.03 1.04 -0.13 4.33 3.86 -1.50 -2.39 115.15 121.38 2a8i h HIS 296 Ca 0.38 -0.18 -0.14 0.00 -1.16 0.00 0.00 60.37 59.27 2a8i h HIS 296 Cb 0.17 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 2a8i h HIS 296 CO -0.00 0.95 -0.52 -0.07 0.86 0.00 0.00 177.93 179.15 2a8i h LEU 297 N 0.87 0.39 0.25 2.43 3.38 -1.07 -3.15 115.31 118.41 2a8i h LEU 297 Ca 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2a8i h LEU 297 Cb 0.57 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2a8i h LEU 297 CO 0.03 0.84 -0.12 0.58 0.09 0.00 0.00 178.44 179.86 2a8i h VAL 298 N 0.28 0.66 -0.40 1.22 2.07 -1.13 -1.33 116.25 117.62 2a8i h VAL 298 Ca 0.01 -0.89 0.12 0.00 0.82 0.00 0.00 66.70 66.76 2a8i h VAL 298 Cb 1.01 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2a8i h VAL 298 CO 0.09 0.15 0.38 0.03 0.02 0.00 0.00 177.57 178.24 2a8i h ARG 299 N -0.88 0.00 -0.02 1.57 2.47 -1.52 0.08 114.38 116.08 2a8i h ARG 299 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2a8i h ARG 299 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2a8i h ARG 299 CO 0.06 0.00 -0.17 0.25 0.56 0.00 0.00 179.97 180.67 2a8i n THR 300 N -3.92 0.00 -4.27 2.04 -2.24 -1.19 -4.93 114.28 99.77 2a8i n THR 300 Ca 0.07 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.12 2a8i n THR 300 Cb 0.56 1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 70.05 2a8i n THR 300 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2a8i n ILE 301 N 0.65 -1.29 -0.15 2.28 5.41 0.01 -4.78 119.36 121.49 2a8i n ILE 301 Ca 0.10 -0.44 -0.03 0.00 1.00 0.00 0.00 62.75 63.39 2a8i n ILE 301 Cb 0.47 -1.28 0.05 0.00 -0.71 0.00 0.00 39.64 38.17 2a8i n ILE 301 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2a8i h LEU 302 N -1.70 -0.30 -0.09 1.39 6.46 -1.64 -2.55 115.31 116.88 2a8i h LEU 302 Ca -0.65 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.28 2a8i h LEU 302 Cb 1.39 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 41.52 2a8i h LEU 302 CO 0.71 -0.11 -0.21 0.00 -0.62 0.00 0.00 178.44 178.21 2a8i h ALA 303 N 1.46 -0.21 -0.50 1.25 0.00 -1.55 0.83 119.26 120.53 2a8i h ALA 303 Ca 0.24 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2a8i h ALA 303 Cb 0.37 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2a8i h ALA 303 CO -0.44 -0.68 0.02 -0.09 0.00 0.00 0.00 179.25 178.05 2a8i h ARG 304 N -0.29 0.83 -0.76 0.00 2.43 -1.35 -1.69 114.38 113.55 2a8i h ARG 304 Ca 0.09 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 2a8i h ARG 304 Cb 0.42 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2a8i h ARG 304 CO -0.26 0.82 0.32 1.49 -1.51 0.00 0.00 179.97 180.83 2a8i h GLU 305 N 0.78 1.13 -0.44 0.20 4.57 -0.96 -1.32 114.58 118.54 2a8i h GLU 305 Ca 0.15 -0.20 -0.12 0.00 -1.18 0.00 0.00 59.36 58.01 2a8i h GLU 305 Cb 0.44 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2a8i h GLU 305 CO 0.02 0.91 -0.22 0.00 -1.18 0.00 0.00 179.01 178.54 2a8i h SER 307 N 0.77 0.95 -0.04 0.00 0.87 -0.83 -1.62 113.55 113.66 2a8i h SER 307 Ca 0.10 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 2a8i h SER 307 Cb 0.77 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2a8i h SER 307 CO 0.06 0.75 -0.43 0.45 -0.53 0.00 0.00 176.83 177.14 2a8i h HIS 308 N 1.07 0.68 -0.13 2.24 -0.00 -1.16 -2.99 115.15 114.87 2a8i h HIS 308 Ca 0.28 -0.20 -0.09 0.00 -0.00 0.00 0.00 60.37 60.35 2a8i h HIS 308 Cb -0.01 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 2a8i h HIS 308 CO -0.00 0.90 -0.32 0.00 -0.00 0.00 0.00 177.93 178.51 2a8i h ALA 309 N 1.07 1.22 0.00 2.45 0.00 -1.06 -2.83 119.26 120.11 2a8i h ALA 309 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2a8i h ALA 309 Cb 0.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2a8i h ALA 309 CO 0.08 0.52 0.00 1.28 0.00 0.00 0.00 179.25 181.14 2a8i n LEU 310 N -4.10 0.00 0.05 0.00 4.77 -0.64 -2.09 117.00 114.99 2a8i n LEU 310 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 2a8i n LEU 310 Cb 0.42 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.83 2a8i n LEU 310 CO 0.41 0.00 0.61 0.00 -1.33 0.00 0.00 177.39 177.08 2a8i n GLN 311 N -0.75 0.18 -2.21 3.23 1.13 -1.07 -4.83 117.38 113.06 2a8i n GLN 311 Ca 0.06 0.09 -0.34 0.00 -1.94 0.00 0.00 57.00 54.87 2a8i n GLN 311 Cb 0.03 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.73 2a8i n GLN 311 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2a8i s ALA 312 N -3.09 2.71 0.13 -1.58 0.00 -0.89 -4.91 121.76 114.13 2a8i s ALA 312 Ca 0.10 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 2a8i s ALA 312 Cb 0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 2a8i s ALA 312 CO 0.65 -0.75 1.66 1.49 0.00 0.00 0.00 175.76 178.82 2a8i h GLU 313 N 0.96 -0.21 -5.62 0.00 4.81 -1.90 -3.36 114.58 109.25 2a8i h GLU 313 Ca -0.49 0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 58.13 2a8i h GLU 313 Cb 1.24 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.54 2a8i h GLU 313 CO 0.57 -0.14 0.91 0.34 -0.73 0.00 0.00 179.01 179.96 2a8i s ASP 314 N -5.04 6.36 0.14 1.04 -1.08 -1.26 -4.91 116.67 111.92 2a8i s ASP 314 Ca -0.14 -1.28 -0.19 0.00 -0.52 0.00 0.00 52.55 50.41 2a8i s ASP 314 Cb 0.10 -2.47 0.01 0.00 -1.46 0.00 0.00 42.92 39.10 2a8i s ASP 314 CO 0.68 -1.42 1.71 0.00 0.52 0.00 0.00 175.17 176.66 2a8i h ALA 315 N 9.49 0.22 -0.38 3.66 0.00 -1.91 -0.30 119.26 130.04 2a8i h ALA 315 Ca -0.06 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2a8i h ALA 315 Cb 1.04 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2a8i h ALA 315 CO 1.23 -0.42 0.15 1.25 0.00 0.00 0.00 179.25 181.46 2a8i h HIS 316 N 0.07 0.28 -0.43 0.00 -0.00 -1.96 0.31 115.15 113.42 2a8i h HIS 316 Ca 0.12 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.38 2a8i h HIS 316 Cb 0.16 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 2a8i h HIS 316 CO -0.21 0.13 -0.25 0.37 -0.00 0.00 0.00 177.93 177.97 2a8i h GLN 317 N 0.32 0.89 -0.64 5.26 5.75 -1.93 -1.58 115.11 123.18 2a8i h GLN 317 Ca 0.17 -0.39 -0.08 0.00 -0.15 0.00 0.00 58.65 58.20 2a8i h GLN 317 Cb 0.12 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 2a8i h GLN 317 CO -0.15 1.04 0.09 0.00 -2.65 0.00 0.00 178.83 177.15 2a8i h ALA 318 N 0.94 0.94 -0.29 3.38 0.00 -0.66 -1.03 119.26 122.54 2a8i h ALA 318 Ca 0.10 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 2a8i h ALA 318 Cb 0.80 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2a8i h ALA 318 CO 0.07 0.65 -0.54 1.25 0.00 0.00 0.00 179.25 180.68 2a8i h LEU 319 N 0.99 0.98 -0.50 0.00 5.85 -0.87 -2.54 115.31 119.23 2a8i h LEU 319 Ca 0.19 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2a8i h LEU 319 Cb 0.45 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2a8i h LEU 319 CO 0.01 1.33 0.27 0.25 -0.34 0.00 0.00 178.44 179.96 2a8i h LEU 320 N 0.67 0.64 -1.02 2.25 5.85 -1.07 -2.76 115.31 119.88 2a8i h LEU 320 Ca 0.02 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 2a8i h LEU 320 Cb 1.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2a8i h LEU 320 CO 0.12 0.55 0.02 -0.33 -0.34 0.00 0.00 178.44 178.47 2a8i h GLU 321 N 0.67 0.73 -0.49 1.25 5.08 -1.19 -1.95 114.58 118.68 2a8i h GLU 321 Ca 0.18 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2a8i h GLU 321 Cb 0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2a8i h GLU 321 CO -0.03 0.73 0.00 2.41 -1.00 0.00 0.00 179.01 181.12 2a8i n THR 322 N -4.24 0.04 0.00 1.13 -1.04 -0.96 0.18 114.28 109.39 2a8i n THR 322 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2a8i n THR 322 Cb 0.27 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 2a8i n THR 322 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a8i n GLN 324 N 0.47 0.00 -0.01 -2.82 6.02 -0.73 -0.31 117.38 120.00 2a8i n GLN 324 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 2a8i n GLN 324 Cb 0.07 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.20 2a8i n GLN 324 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2a8i h ASN 325 N 0.00 0.32 0.50 1.08 2.35 -0.52 0.75 115.58 120.07 2a8i h ASN 325 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 2a8i h ASN 325 Cb 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2a8i h ASN 325 CO 0.00 1.13 -0.31 0.29 -1.65 0.00 0.00 177.43 176.88 2a8i n LYS 326 N -4.36 0.28 0.00 0.81 4.76 0.57 -3.13 118.16 117.09 2a8i n LYS 326 Ca -0.11 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 2a8i n LYS 326 Cb 0.61 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 2a8i n LYS 326 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2a8i n PHE 327 N -1.24 0.00 -0.10 2.13 7.35 -0.84 -4.50 117.46 120.26 2a8i n PHE 327 Ca 0.09 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.70 2a8i n PHE 327 Cb 0.33 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.16 2a8i n PHE 327 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2a8i h ILE 328 N 0.00 1.01 -0.48 -2.13 2.04 -1.82 -2.61 117.51 113.51 2a8i h ILE 328 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2a8i h ILE 328 Cb 0.00 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2a8i h ILE 328 CO 0.00 0.07 0.00 -1.20 0.00 0.00 0.00 178.15 177.02 2a8i n SER 329 N -4.92 3.04 -4.72 1.72 7.64 0.25 -4.90 113.62 111.73 2a8i n SER 329 Ca 0.00 -2.14 -0.42 0.00 1.01 0.00 0.00 58.87 57.32 2a8i n SER 329 Cb 0.07 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 2a8i n SER 329 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2a8i s SER 330 N -0.90 6.57 0.53 6.43 0.15 -0.99 -4.88 113.70 120.61 2a8i s SER 330 Ca 0.35 2.65 0.21 0.00 0.70 0.00 0.00 55.95 59.86 2a8i s SER 330 Cb 0.20 -2.60 1.36 0.00 -1.71 0.00 0.00 66.02 63.27 2a8i s SER 330 CO 0.20 -0.83 2.08 -0.65 1.20 0.00 0.00 173.24 175.25 2a8i h PRO 331 N 6.54 0.00 0.00 5.44 0.11 -1.90 -1.14 132.00 141.05 2a8i h PRO 331 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2a8i h PRO 331 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2a8i h PRO 331 CO 0.90 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.88 2a8i n PHE 332 N -4.42 0.71 -0.43 0.65 3.01 -1.26 -2.23 117.46 113.48 2a8i n PHE 332 Ca 0.03 0.30 0.02 0.00 1.01 0.00 0.00 57.45 58.81 2a8i n PHE 332 Cb 0.34 -0.99 0.03 0.00 -0.01 0.00 0.00 39.48 38.85 2a8i n PHE 332 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2a8i n LEU 333 N -2.17 1.70 -0.36 4.37 4.77 -0.46 -4.82 117.00 120.04 2a8i n LEU 333 Ca 0.01 -1.89 0.27 0.00 -0.03 0.00 0.00 56.01 54.37 2a8i n LEU 333 Cb 0.17 -0.08 0.53 0.00 -2.33 0.00 0.00 43.42 41.71 2a8i n LEU 333 CO 0.16 0.46 1.18 0.00 -1.33 0.00 0.00 177.39 177.86 2a8i h ALA 334 N 0.00 2.25 0.00 -1.18 0.00 -1.13 0.17 119.26 119.37 2a8i h ALA 334 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2a8i h ALA 334 Cb 0.71 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2a8i h ALA 334 CO 0.00 -0.81 0.00 0.43 0.00 0.00 0.00 179.25 178.87 2a8i n SER 335 N -4.83 0.00 -4.81 0.00 7.64 -1.26 -4.86 113.62 105.50 2a8i n SER 335 Ca 0.32 -0.18 -0.36 0.00 1.01 0.00 0.00 58.87 59.66 2a8i n SER 335 Cb 1.08 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.95 2a8i n SER 335 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2a8i s GLU 336 N -2.54 4.30 -1.10 1.43 0.41 0.59 -4.99 118.70 116.79 2a8i s GLU 336 Ca 0.29 0.96 -0.06 0.00 -0.41 0.00 0.00 54.97 55.74 2a8i s GLU 336 Cb 0.20 -2.80 0.29 0.00 -1.78 0.00 0.00 34.13 30.04 2a8i s GLU 336 CO 0.45 0.34 1.35 -3.47 -0.49 0.00 0.00 175.26 173.43 2a8i n ASP 337 N 0.55 6.01 0.00 -0.19 2.03 -1.26 -4.82 116.55 118.87 2a8i n ASP 337 Ca -0.01 -3.25 0.00 0.00 0.52 0.00 0.00 54.79 52.06 2a8i n ASP 337 Cb 0.51 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 2a8i n ASP 337 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a8i n GLY 338 N 1.96 2.58 3.45 0.27 0.00 -1.26 -5.06 105.19 107.13 2a8i n GLY 338 Ca 0.26 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 2a8i n GLY 338 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a8i s VAL 339 N 0.00 4.07 -0.27 1.61 1.01 -0.74 -4.97 120.40 121.12 2a8i s VAL 339 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2a8i s VAL 339 Cb 0.00 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.56 2a8i s VAL 339 CO 0.00 0.41 -0.02 -0.76 0.00 0.00 0.00 175.10 174.73 2a8i s LEU 340 N 1.11 3.50 -0.10 3.92 1.43 -1.26 -4.04 118.68 123.25 2a8i s LEU 340 Ca 0.03 -0.98 -0.32 0.00 -1.03 0.00 0.00 54.13 51.82 2a8i s LEU 340 Cb -0.14 -1.71 0.12 0.00 0.03 0.00 0.00 46.19 44.49 2a8i s LEU 340 CO 0.02 -0.18 1.13 -0.83 0.23 0.00 0.00 176.35 176.72 2a8i s GLY 341 N 1.32 -0.35 0.11 -3.19 0.00 -1.26 -0.89 107.32 103.06 2a8i s GLY 341 Ca -0.01 1.22 -0.10 0.00 0.00 0.00 0.00 44.72 45.82 2a8i s GLY 341 CO -0.03 0.38 0.25 -0.32 0.00 0.00 0.00 173.10 173.39 2a8i s GLY 342 N -2.43 0.07 0.04 0.20 0.00 0.04 -0.73 107.32 104.51 2a8i s GLY 342 Ca 0.09 -0.54 -0.08 0.00 0.00 0.00 0.00 44.72 44.20 2a8i s GLY 342 CO -0.05 -0.71 0.15 -1.34 0.00 0.00 0.00 173.10 171.15 2a8i s VAL 343 N -3.86 0.12 -0.02 1.40 -7.23 0.11 -1.51 120.40 109.39 2a8i s VAL 343 Ca 0.06 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.31 2a8i s VAL 343 Cb 0.04 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 2a8i s VAL 343 CO -0.10 -0.54 -0.23 0.27 -0.31 0.00 0.00 175.10 174.19 2a8i s ILE 344 N -2.60 1.82 0.03 -0.62 -4.36 -0.32 -1.57 121.20 113.58 2a8i s ILE 344 Ca -0.05 -0.97 0.02 0.00 -0.26 0.00 0.00 60.65 59.38 2a8i s ILE 344 Cb -0.01 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 42.17 2a8i s ILE 344 CO -0.04 0.51 -0.06 -0.69 0.24 0.00 0.00 174.94 174.90 2a8i s VAL 345 N -0.45 0.40 -0.04 8.37 1.01 0.31 -1.66 120.40 128.34 2a8i s VAL 345 Ca 0.06 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2a8i s VAL 345 Cb -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.84 2a8i s VAL 345 CO -0.00 -0.30 -0.08 -0.76 0.00 0.00 0.00 175.10 173.96 2a8i s LEU 346 N -1.21 1.64 -0.05 3.92 1.02 -0.41 -1.38 118.68 122.20 2a8i s LEU 346 Ca -0.09 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 53.89 2a8i s LEU 346 Cb -0.08 -0.56 0.02 0.00 0.02 0.00 0.00 46.19 45.59 2a8i s LEU 346 CO -0.00 0.03 -0.05 -0.60 0.02 0.00 0.00 176.35 175.74 2a8i s ARG 347 N 0.47 0.95 0.04 1.70 3.52 0.18 -1.31 118.95 124.50 2a8i s ARG 347 Ca -0.08 -0.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 2a8i s ARG 347 Cb -0.11 -0.96 -0.02 0.00 -1.56 0.00 0.00 34.95 32.30 2a8i s ARG 347 CO 0.01 -0.10 -0.12 0.45 -0.81 0.00 0.00 175.30 174.74 2a8i s SER 348 N 1.02 1.35 -0.11 -2.12 0.15 0.45 -0.45 113.70 113.99 2a8i s SER 348 Ca -0.09 -0.48 -0.09 0.00 0.70 0.00 0.00 55.95 55.99 2a8i s SER 348 Cb -0.14 -0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.15 2a8i s SER 348 CO -0.00 -0.05 0.28 0.00 1.20 0.00 0.00 173.24 174.66 2a8i s ARG 350 N 0.40 4.27 0.06 0.00 3.52 -1.26 -0.92 118.95 125.03 2a8i s ARG 350 Ca -0.02 1.32 -0.00 0.00 -0.13 0.00 0.00 55.73 56.90 2a8i s ARG 350 Cb -0.04 -2.46 -0.00 0.00 -1.56 0.00 0.00 34.95 30.89 2a8i s ARG 350 CO -0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 175.30 174.45 2a8i n THR 363 N -3.36 0.00 -4.29 0.00 -2.24 -1.26 -5.09 114.28 98.04 2a8i n THR 363 Ca -0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2a8i n THR 363 Cb 0.17 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.26 2a8i n THR 363 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a8i s LEU 364 N -1.91 2.67 -0.27 3.22 1.43 -0.05 -4.96 118.68 118.81 2a8i s LEU 364 Ca 0.00 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.50 2a8i s LEU 364 Cb 0.00 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2a8i s LEU 364 CO 0.00 0.05 0.53 -0.22 0.23 0.00 0.00 176.35 176.94 2a8i s LEU 365 N 1.01 4.09 -0.14 1.79 2.96 -0.09 -0.35 118.68 127.94 2a8i s LEU 365 Ca -0.01 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 2a8i s LEU 365 Cb -0.15 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 2a8i s LEU 365 CO -0.02 -0.33 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.89 2a8i s VAL 366 N 2.35 3.22 -0.14 1.68 1.01 0.12 -2.03 120.40 126.61 2a8i s VAL 366 Ca 0.21 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 2a8i s VAL 366 Cb -0.16 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2a8i s VAL 366 CO 0.10 0.51 -0.11 -1.61 0.00 0.00 0.00 175.10 173.99 2a8i s GLU 367 N 0.45 3.43 0.05 2.72 2.02 0.40 -0.77 118.70 127.01 2a8i s GLU 367 Ca -0.08 -0.66 0.08 0.00 0.02 0.00 0.00 54.97 54.33 2a8i s GLU 367 Cb -0.15 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 2a8i s GLU 367 CO 0.04 0.19 -0.22 -0.59 0.02 0.00 0.00 175.26 174.70 2a8i s PHE 368 N 0.42 1.95 0.14 1.61 -0.12 -0.46 -0.65 117.98 120.87 2a8i s PHE 368 Ca -0.09 -0.39 -0.14 0.00 -0.05 0.00 0.00 56.93 56.26 2a8i s PHE 368 Cb -0.16 -1.15 0.02 0.00 -0.63 0.00 0.00 43.02 41.10 2a8i s PHE 368 CO 0.05 0.11 0.38 -0.51 -0.05 0.00 0.00 175.22 175.20 2a8i s LEU 369 N -1.26 0.57 -0.03 -1.99 1.02 -0.48 -0.61 118.68 115.90 2a8i s LEU 369 Ca 0.09 -0.50 -0.03 0.00 0.02 0.00 0.00 54.13 53.71 2a8i s LEU 369 Cb -0.09 1.68 0.01 0.00 0.02 0.00 0.00 46.19 47.81 2a8i s LEU 369 CO 0.02 -0.89 0.08 -1.66 0.02 0.00 0.00 176.35 173.92 2a8i s TRP 370 N -3.86 -0.09 0.00 0.29 -2.14 -0.48 -0.53 118.94 112.14 2a8i s TRP 370 Ca 0.07 0.22 -0.05 0.00 2.66 0.00 0.00 56.10 59.00 2a8i s TRP 370 Cb 0.02 0.03 -0.00 0.00 -3.10 0.00 0.00 33.47 30.41 2a8i s TRP 370 CO -0.08 -0.04 0.09 0.45 -2.66 0.00 0.00 176.95 174.71 2a8i s SER 371 N 0.06 0.07 0.04 -2.66 0.15 -0.61 -1.94 113.70 108.82 2a8i s SER 371 Ca -0.00 -0.25 -0.27 0.00 0.70 0.00 0.00 55.95 56.13 2a8i s SER 371 Cb -0.01 0.18 0.08 0.00 -1.71 0.00 0.00 66.02 64.56 2a8i s SER 371 CO 0.00 -0.33 0.72 -1.38 1.20 0.00 0.00 173.24 173.45 2a8i s HIS 372 N -1.30 -0.51 -1.21 3.44 -3.43 -0.50 0.03 115.29 111.82 2a8i s HIS 372 Ca -0.14 0.52 0.11 0.00 -0.80 0.00 0.00 55.06 54.75 2a8i s HIS 372 Cb -0.08 0.51 0.05 0.00 -1.43 0.00 0.00 32.58 31.64 2a8i s HIS 372 CO 0.01 -0.68 0.77 0.25 -2.00 0.00 0.00 174.74 173.09 2a8i n THR 373 N 0.06 0.00 -2.06 -5.38 -2.24 0.09 -0.91 114.28 103.84 2a8i n THR 373 Ca -0.15 -0.46 -0.28 0.00 -2.27 0.00 0.00 64.05 60.89 2a8i n THR 373 Cb 0.62 1.19 0.07 0.00 -2.10 0.00 0.00 70.33 70.11 2a8i n THR 373 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a8i s THR 374 N -1.08 2.48 0.20 4.28 -4.23 -1.25 -0.84 115.64 115.20 2a8i s THR 374 Ca 0.11 -0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.48 2a8i s THR 374 Cb 0.09 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.97 2a8i s THR 374 CO 0.18 -0.14 1.69 -0.33 -0.54 0.00 0.00 174.62 175.49 2a8i h GLU 375 N -0.74 0.20 0.00 3.99 4.39 -1.79 -3.41 114.58 117.21 2a8i h GLU 375 Ca -0.45 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2a8i h GLU 375 Cb 1.31 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2a8i h GLU 375 CO 0.63 0.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.48 2a8i n SER 376 N -5.18 0.00 -3.73 1.42 3.41 0.21 -1.48 113.62 108.27 2a8i n SER 376 Ca 0.08 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.51 2a8i n SER 376 Cb 0.31 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.09 2a8i n SER 376 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a8i s VAL 379 N 1.57 1.12 -0.15 0.00 -7.23 -0.10 -0.95 120.40 114.67 2a8i s VAL 379 Ca -0.03 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 57.97 2a8i s VAL 379 Cb -0.13 -1.84 0.04 0.00 0.56 0.00 0.00 36.38 35.01 2a8i s VAL 379 CO -0.03 -0.75 0.39 -0.83 -0.31 0.00 0.00 175.10 173.57 2a8i s GLY 380 N -3.16 -0.30 0.31 2.32 0.00 -0.64 -0.64 107.32 105.21 2a8i s GLY 380 Ca 0.16 1.18 0.06 0.00 0.00 0.00 0.00 44.72 46.13 2a8i s GLY 380 CO 0.00 1.10 0.29 1.58 0.00 0.00 0.00 173.10 176.08 2a8i n TYR 381 N 3.18 -0.84 -3.78 1.90 4.11 -0.10 0.23 117.16 121.86 2a8i n TYR 381 Ca -0.15 -2.51 -0.13 0.00 -0.00 0.00 0.00 57.90 55.10 2a8i n TYR 381 Cb 0.57 0.31 -0.13 0.00 -0.00 0.00 0.00 39.34 40.08 2a8i n TYR 381 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2a8i s SER 383 N -3.12 -0.14 0.33 9.48 0.15 -1.26 -1.06 113.70 118.08 2a8i s SER 383 Ca 0.35 0.30 0.01 0.00 0.70 0.00 0.00 55.95 57.31 2a8i s SER 383 Cb 0.01 0.25 0.57 0.00 -1.71 0.00 0.00 66.02 65.14 2a8i s SER 383 CO 0.25 -0.10 2.00 0.00 1.20 0.00 0.00 173.24 176.58 2a8i h ALA 384 N 6.62 1.50 0.00 5.45 0.00 -1.16 -1.79 119.26 129.88 2a8i h ALA 384 Ca -0.34 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2a8i h ALA 384 Cb 1.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2a8i h ALA 384 CO 0.42 0.46 -0.40 1.96 0.00 0.00 0.00 179.25 181.69 2a8i h GLN 385 N 0.95 0.00 0.11 0.00 4.20 -1.94 -3.32 115.11 115.11 2a8i h GLN 385 Ca 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2a8i h GLN 385 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2a8i h GLN 385 CO -0.06 0.40 -0.05 0.22 -0.67 0.00 0.00 178.83 178.67 2a8i h ASP 386 N 0.00 -0.13 0.00 1.46 3.58 -1.75 -3.49 116.42 116.08 2a8i h ASP 386 Ca -0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2a8i h ASP 386 Cb 1.01 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2a8i h ASP 386 CO 0.05 0.46 0.00 0.61 -2.88 0.00 0.00 179.24 177.48 2a8i n GLY 387 N 1.21 2.55 3.44 -0.78 0.00 -0.74 -5.04 105.19 105.82 2a8i n GLY 387 Ca -0.05 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2a8i n GLY 387 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2a8i s LYS 388 N 0.00 3.35 0.48 1.61 2.20 -1.26 -5.02 119.74 121.10 2a8i s LYS 388 Ca 0.00 -0.62 -0.21 0.00 -0.36 0.00 0.00 55.97 54.78 2a8i s LYS 388 Cb 0.00 -2.70 -0.08 0.00 -1.51 0.00 0.00 37.83 33.54 2a8i s LYS 388 CO 0.00 0.30 1.05 0.00 -0.36 0.00 0.00 175.35 176.33 2a8i s ALA 389 N 0.16 2.89 -0.12 3.13 0.00 -1.26 -4.71 121.76 121.84 2a8i s ALA 389 Ca -0.05 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.55 2a8i s ALA 389 Cb -0.15 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2a8i s ALA 389 CO 0.04 -0.33 -0.15 0.15 0.00 0.00 0.00 175.76 175.47 2a8i s LYS 390 N -3.15 3.30 0.18 0.00 3.01 -0.23 -4.98 119.74 117.88 2a8i s LYS 390 Ca 0.67 -0.71 0.11 0.00 -1.01 0.00 0.00 55.97 55.02 2a8i s LYS 390 Cb -0.18 -2.57 -0.04 0.00 -1.01 0.00 0.00 37.83 34.03 2a8i s LYS 390 CO 0.21 0.23 -0.23 0.95 0.51 0.00 0.00 175.35 177.02 2a8i s THR 391 N 0.30 2.22 -0.15 2.17 -4.23 -1.26 -0.92 115.64 113.77 2a8i s THR 391 Ca -0.11 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.14 2a8i s THR 391 Cb -0.16 -2.04 0.10 0.00 1.34 0.00 0.00 72.50 71.74 2a8i s THR 391 CO 0.06 -0.14 0.84 -2.28 -0.54 0.00 0.00 174.62 172.56 2a8i s HIS 392 N -1.68 -0.55 -0.37 3.99 5.04 0.19 -4.98 115.29 116.93 2a8i s HIS 392 Ca 0.19 1.07 -0.08 0.00 -1.54 0.00 0.00 55.06 54.70 2a8i s HIS 392 Cb -0.08 0.40 0.05 0.00 0.04 0.00 0.00 32.58 32.99 2a8i s HIS 392 CO 0.09 -0.44 0.17 0.42 -2.34 0.00 0.00 174.74 172.63 2a8i s ILE 393 N -0.76 3.99 -0.08 0.89 -1.09 -1.26 -0.92 121.20 121.96 2a8i s ILE 393 Ca -0.05 -1.21 -0.28 0.00 -2.23 0.00 0.00 60.65 56.88 2a8i s ILE 393 Cb -0.01 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 2a8i s ILE 393 CO 0.04 -0.30 0.92 -0.55 -1.23 0.00 0.00 174.94 173.82 2a8i s SER 394 N 1.64 7.19 0.17 3.58 0.15 -1.26 -5.01 113.70 120.16 2a8i s SER 394 Ca 0.01 1.45 0.10 0.00 0.70 0.00 0.00 55.95 58.20 2a8i s SER 394 Cb -0.21 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 2a8i s SER 394 CO 0.03 -0.33 -0.22 -0.13 1.20 0.00 0.00 173.24 173.79 2a8i s ARG 395 N 1.56 1.39 0.36 5.44 0.52 -1.26 -4.13 118.95 122.82 2a8i s ARG 395 Ca 0.46 -1.44 -0.27 0.00 -0.52 0.00 0.00 55.73 53.95 2a8i s ARG 395 Cb -0.19 -1.62 -0.09 0.00 0.52 0.00 0.00 34.95 33.57 2a8i s ARG 395 CO 0.20 0.35 1.18 -0.51 0.02 0.00 0.00 175.30 176.54 2a8i s LEU 396 N -2.58 4.33 0.97 2.53 1.43 -0.55 -4.99 118.68 119.83 2a8i s LEU 396 Ca 0.17 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.55 2a8i s LEU 396 Cb -0.07 -3.85 0.17 0.00 0.03 0.00 0.00 46.19 42.47 2a8i s LEU 396 CO 0.08 -0.52 1.09 -2.16 0.23 0.00 0.00 176.35 175.07 2a8i s PRO 397 N -1.99 0.66 0.31 1.29 0.04 -1.26 -4.92 135.00 129.13 2a8i s PRO 397 Ca 0.52 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2a8i s PRO 397 Cb -0.33 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 2a8i s PRO 397 CO 0.42 -2.62 1.56 -2.14 0.04 0.00 0.00 177.00 174.26 2a8i s PRO 398 N -4.89 4.13 0.00 0.56 0.02 -1.26 -2.28 135.00 131.28 2a8i s PRO 398 Ca 0.65 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.22 2a8i s PRO 398 Cb -0.19 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2a8i s PRO 398 CO 0.58 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 177.07 2a8i n GLY 399 N 1.76 3.06 3.73 0.52 0.00 -1.26 -5.04 105.19 107.96 2a8i n GLY 399 Ca 0.06 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 2a8i n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a8i s ALA 400 N -0.99 2.32 -0.12 4.61 0.00 -0.96 -5.02 121.76 121.59 2a8i s ALA 400 Ca 0.00 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.00 2a8i s ALA 400 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 2a8i s ALA 400 CO 0.00 -1.59 -0.20 0.08 0.00 0.00 0.00 175.76 174.05 2a8i s VAL 401 N -1.70 2.37 0.17 0.00 1.01 -1.26 -4.91 120.40 116.08 2a8i s VAL 401 Ca 0.78 -0.90 -0.33 0.00 0.00 0.00 0.00 61.98 61.54 2a8i s VAL 401 Cb -0.32 -1.95 -0.12 0.00 0.00 0.00 0.00 36.38 33.98 2a8i s VAL 401 CO 0.40 0.54 1.71 0.00 0.00 0.00 0.00 175.10 177.75 2a8i n ALA 402 N 3.70 2.19 -0.34 5.51 0.00 -1.26 -1.22 120.51 129.08 2a8i n ALA 402 Ca -0.19 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2a8i n ALA 402 Cb 0.52 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2a8i n ALA 402 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a8i n GLY 403 N 3.87 0.93 0.00 0.00 0.00 -0.02 -4.82 105.19 105.15 2a8i n GLY 403 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2a8i n GLY 403 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a8i n GLN 404 N -2.00 2.47 -4.48 1.61 1.13 -0.36 -1.78 117.38 113.96 2a8i n GLN 404 Ca 0.00 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.83 2a8i n GLN 404 Cb 0.00 -0.79 -0.11 0.00 0.11 0.00 0.00 30.24 29.45 2a8i n GLN 404 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2a8i s SER 405 N -1.21 2.91 -0.06 1.08 1.04 -0.81 -4.94 113.70 111.71 2a8i s SER 405 Ca 0.00 -1.30 0.05 0.00 0.48 0.00 0.00 55.95 55.18 2a8i s SER 405 Cb 0.00 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2a8i s SER 405 CO 0.00 -0.46 -0.21 -0.69 0.98 0.00 0.00 173.24 172.86 2a8i s VAL 406 N -3.03 1.76 -0.09 5.02 1.01 -1.26 -4.28 120.40 119.53 2a8i s VAL 406 Ca 0.33 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2a8i s VAL 406 Cb 0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2a8i s VAL 406 CO 0.15 0.50 -0.03 0.00 0.00 0.00 0.00 175.10 175.72 2a8i s ALA 407 N 0.02 3.15 -0.15 5.51 0.00 -0.09 -4.97 121.76 125.23 2a8i s ALA 407 Ca -0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 2a8i s ALA 407 Cb -0.13 -1.40 0.05 0.00 0.00 0.00 0.00 23.12 21.63 2a8i s ALA 407 CO 0.04 0.55 0.38 -1.50 0.00 0.00 0.00 175.76 175.22 2a8i s ILE 408 N -0.73 -0.01 0.07 0.00 2.07 -1.26 -1.41 121.20 119.92 2a8i s ILE 408 Ca 0.11 0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.29 2a8i s ILE 408 Cb -0.11 -0.55 0.01 0.00 0.13 0.00 0.00 42.46 41.94 2a8i s ILE 408 CO 0.02 0.02 0.24 -1.61 -1.91 0.00 0.00 174.94 171.70 2a8i s GLU 409 N 0.73 0.81 0.11 3.50 2.02 -0.82 -5.02 118.70 120.04 2a8i s GLU 409 Ca -0.04 -0.71 -0.15 0.00 0.02 0.00 0.00 54.97 54.08 2a8i s GLU 409 Cb -0.05 0.34 0.05 0.00 0.10 0.00 0.00 34.13 34.57 2a8i s GLU 409 CO -0.05 -0.26 0.74 0.41 0.02 0.00 0.00 175.26 176.11 2a8i n GLY 410 N 0.32 0.77 1.71 -1.39 0.00 -1.26 -1.38 105.19 103.94 2a8i n GLY 410 Ca -0.17 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 2a8i n GLY 410 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a8i n GLY 411 N -0.52 1.53 3.13 -0.02 0.00 0.22 -4.98 105.19 104.54 2a8i n GLY 411 Ca -0.01 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 2a8i n GLY 411 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a8i s VAL 412 N -2.59 0.69 -0.19 1.61 -7.23 -1.26 -1.36 120.40 110.07 2a8i s VAL 412 Ca 0.07 -1.50 -0.20 0.00 -1.81 0.00 0.00 61.98 58.54 2a8i s VAL 412 Cb -0.02 -1.15 0.05 0.00 0.56 0.00 0.00 36.38 35.82 2a8i s VAL 412 CO 0.05 -0.59 0.56 0.00 -0.31 0.00 0.00 175.10 174.81 2a8i s ARG 414 N 0.07 3.28 0.06 0.00 3.52 -1.26 0.12 118.95 124.75 2a8i s ARG 414 Ca -0.02 -0.54 0.06 0.00 -0.13 0.00 0.00 55.73 55.10 2a8i s ARG 414 Cb -0.04 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2a8i s ARG 414 CO 0.02 0.42 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.33 2a8i s LEU 415 N -0.13 3.10 0.00 -0.88 1.02 0.52 -4.95 118.68 117.36 2a8i s LEU 415 Ca 0.02 -0.29 0.20 0.00 0.02 0.00 0.00 54.13 54.09 2a8i s LEU 415 Cb -0.13 -1.85 1.21 0.00 0.02 0.00 0.00 46.19 45.44 2a8i s LEU 415 CO 0.03 0.22 1.60 -0.62 0.02 0.00 0.00 176.35 177.59