#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8i h GLU 8 N 0.00 0.38 -0.06 2.61 5.08 -2.04 0.59 114.58 121.14 1a8i h GLU 8 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1a8i h GLU 8 Cb 0.00 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1a8i h GLU 8 CO 0.00 0.25 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.96 1a8i h LYS 9 N 0.39 0.16 -0.57 2.33 1.63 -2.03 -1.58 116.57 116.91 1a8i h LYS 9 Ca 0.14 -0.09 0.10 0.00 -0.85 0.00 0.00 60.65 59.94 1a8i h LYS 9 Cb 0.03 0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 31.56 1a8i h LYS 9 CO -0.08 0.65 -0.38 0.00 -3.45 0.00 0.00 179.45 176.18 1a8i h ARG 10 N -0.31 -0.19 -0.38 1.90 3.08 -1.89 0.14 114.38 116.73 1a8i h ARG 10 Ca 0.01 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1a8i h ARG 10 Cb 0.63 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.65 1a8i h ARG 10 CO 0.02 -0.13 -0.52 0.87 -1.07 0.00 0.00 179.97 179.14 1a8i h LYS 11 N -0.20 -0.36 -0.72 0.04 1.57 0.25 -1.89 116.57 115.25 1a8i h LYS 11 Ca 0.20 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.18 1a8i h LYS 11 Cb 0.56 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1a8i h LYS 11 CO -0.67 -0.24 0.49 1.96 -0.57 0.00 0.00 179.45 180.42 1a8i h GLN 12 N -0.38 0.22 -5.90 3.15 4.20 0.01 -3.39 115.11 113.02 1a8i h GLN 12 Ca 0.07 -0.01 -0.47 0.00 0.06 0.00 0.00 58.65 58.29 1a8i h GLN 12 Cb 0.56 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1a8i h GLN 12 CO -0.55 0.15 1.34 0.42 -0.67 0.00 0.00 178.83 179.51 1a8i s ILE 13 N -5.23 3.30 0.42 2.54 1.01 0.29 -4.80 121.20 118.73 1a8i s ILE 13 Ca -0.07 0.13 0.14 0.00 0.00 0.00 0.00 60.65 60.85 1a8i s ILE 13 Cb 0.21 -3.79 0.15 0.00 0.01 0.00 0.00 42.46 39.04 1a8i s ILE 13 CO 0.76 -0.77 1.94 0.77 0.00 0.00 0.00 174.94 177.64 1a8i h SER 14 N 15.39 0.00 0.37 3.58 4.64 -1.85 -2.31 113.55 133.37 1a8i h SER 14 Ca -0.23 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1a8i h SER 14 Cb 1.17 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1a8i h SER 14 CO 1.21 0.24 0.00 -0.37 -0.87 0.00 0.00 176.83 177.04 1a8i h VAL 15 N 0.00 0.00 0.00 0.95 -1.51 -1.93 -2.29 116.25 111.47 1a8i h VAL 15 Ca -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1a8i h VAL 15 Cb 0.43 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1a8i h VAL 15 CO 0.03 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.91 1a8i n ARG 16 N -3.08 0.86 0.00 5.19 1.74 -0.87 -5.01 116.66 115.50 1a8i n ARG 16 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1a8i n ARG 16 Cb 0.16 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1a8i n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a8i n GLY 17 N 0.58 -1.78 3.73 -0.13 0.00 -0.86 -1.73 105.19 105.00 1a8i n GLY 17 Ca 0.13 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 1a8i n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a8i s LEU 18 N 0.00 3.71 -1.04 0.99 1.43 -1.26 -4.71 118.68 117.80 1a8i s LEU 18 Ca 0.00 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1a8i s LEU 18 Cb 0.00 -2.18 0.28 0.00 0.03 0.00 0.00 46.19 44.32 1a8i s LEU 18 CO 0.00 0.26 1.16 0.00 0.23 0.00 0.00 176.35 178.00 1a8i n ALA 19 N 1.17 4.46 -1.77 4.21 0.00 -1.26 -3.78 120.51 123.54 1a8i n ALA 19 Ca -0.13 -4.71 -0.40 0.00 0.00 0.00 0.00 53.44 48.20 1a8i n ALA 19 Cb 0.53 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.78 1a8i n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a8i s GLY 20 N -0.18 2.93 0.24 0.00 0.00 -1.26 -4.87 107.32 104.18 1a8i s GLY 20 Ca 0.31 1.44 -0.05 0.00 0.00 0.00 0.00 44.72 46.43 1a8i s GLY 20 CO -0.02 2.07 1.78 -0.39 0.00 0.00 0.00 173.10 176.54 1a8i h VAL 21 N 2.55 1.25 -0.07 1.40 -1.51 -2.00 -1.33 116.25 116.54 1a8i h VAL 21 Ca -0.51 -0.88 -0.16 0.00 -1.23 0.00 0.00 66.70 63.92 1a8i h VAL 21 Cb 1.25 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 1a8i h VAL 21 CO 0.62 0.34 -0.66 -0.33 -1.23 0.00 0.00 177.57 176.31 1a8i h GLU 22 N 0.95 0.28 -0.27 5.19 5.08 -1.99 -2.44 114.58 121.38 1a8i h GLU 22 Ca 0.21 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1a8i h GLU 22 Cb 0.32 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1a8i h GLU 22 CO -0.00 0.84 0.12 -0.97 -1.00 0.00 0.00 179.01 178.00 1a8i h ASN 23 N 0.20 0.36 -0.36 1.42 -1.24 -1.84 0.10 115.58 114.22 1a8i h ASN 23 Ca -0.02 -0.14 0.05 0.00 0.71 0.00 0.00 56.30 56.91 1a8i h ASN 23 Cb 1.20 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 40.11 1a8i h ASN 23 CO 0.11 0.40 0.10 0.58 -1.29 0.00 0.00 177.43 177.32 1a8i h VAL 24 N 0.30 0.86 -0.33 2.57 2.07 -1.21 0.15 116.25 120.65 1a8i h VAL 24 Ca 0.09 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1a8i h VAL 24 Cb 0.14 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1a8i h VAL 24 CO -0.01 0.04 0.14 0.74 0.02 0.00 0.00 177.57 178.50 1a8i h THR 25 N 0.23 0.94 -0.28 2.57 2.02 -1.12 -1.27 112.91 116.00 1a8i h THR 25 Ca 0.17 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1a8i h THR 25 Cb 0.17 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1a8i h THR 25 CO -0.20 0.05 0.09 -0.08 0.37 0.00 0.00 175.52 175.76 1a8i h GLU 26 N 0.29 0.43 -0.75 6.66 4.57 -0.33 -2.28 114.58 123.18 1a8i h GLU 26 Ca 0.15 -0.09 0.09 0.00 -1.18 0.00 0.00 59.36 58.33 1a8i h GLU 26 Cb 0.09 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.55 1a8i h GLU 26 CO -0.13 0.49 0.39 -0.07 -1.18 0.00 0.00 179.01 178.51 1a8i h LEU 27 N 0.29 0.54 -0.41 1.64 3.38 -0.52 0.27 115.31 120.49 1a8i h LEU 27 Ca 0.09 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1a8i h LEU 27 Cb 0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1a8i h LEU 27 CO -0.00 0.31 0.23 0.11 0.09 0.00 0.00 178.44 179.17 1a8i h LYS 28 N 0.67 0.56 -0.26 1.13 1.57 -1.11 0.13 116.57 119.26 1a8i h LYS 28 Ca 0.36 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1a8i h LYS 28 Cb 0.36 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1a8i h LYS 28 CO -0.26 0.45 0.08 -0.22 -0.57 0.00 0.00 179.45 178.93 1a8i h LYS 29 N 0.53 0.19 -0.17 3.15 3.64 -0.69 -1.71 116.57 121.52 1a8i h LYS 29 Ca 0.14 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 1a8i h LYS 29 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1a8i h LYS 29 CO -0.02 0.13 -0.40 -0.91 -2.27 0.00 0.00 179.45 175.98 1a8i h ASN 30 N 0.20 0.40 0.07 4.20 2.35 -0.74 0.04 115.58 122.10 1a8i h ASN 30 Ca 0.12 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1a8i h ASN 30 Cb 0.09 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1a8i h ASN 30 CO -0.13 0.76 -0.13 0.15 -1.65 0.00 0.00 177.43 176.43 1a8i h PHE 31 N 0.32 -0.34 -0.67 1.19 3.04 -0.32 -1.11 116.94 119.05 1a8i h PHE 31 Ca 0.03 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 1a8i h PHE 31 Cb 0.84 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.46 1a8i h PHE 31 CO 0.02 -0.20 0.23 -0.91 -2.02 0.00 0.00 178.31 175.43 1a8i h ASN 32 N -0.26 0.94 -0.12 0.41 2.35 -1.07 -0.88 115.58 116.96 1a8i h ASN 32 Ca 0.02 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1a8i h ASN 32 Cb 0.28 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1a8i h ASN 32 CO -0.08 0.87 0.08 -0.09 -1.65 0.00 0.00 177.43 176.56 1a8i h ARG 33 N 0.98 0.16 -0.73 0.81 2.43 -0.72 -2.15 114.38 115.15 1a8i h ARG 33 Ca 0.22 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1a8i h ARG 33 Cb 0.25 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1a8i h ARG 33 CO -0.01 0.10 0.23 0.45 -1.51 0.00 0.00 179.97 179.23 1a8i h HIS 34 N 0.16 1.18 -0.96 2.20 3.86 -0.97 0.10 115.15 120.72 1a8i h HIS 34 Ca 0.04 -0.12 0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1a8i h HIS 34 Cb -0.02 -0.34 -0.07 0.00 1.06 0.00 0.00 27.41 28.05 1a8i h HIS 34 CO -0.07 0.93 0.61 1.25 0.86 0.00 0.00 177.93 181.51 1a8i h LEU 35 N 1.09 0.98 0.00 2.43 5.85 -0.99 -0.78 115.31 123.89 1a8i h LEU 35 Ca 0.24 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1a8i h LEU 35 Cb 0.31 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1a8i h LEU 35 CO -0.01 0.62 -0.00 -0.74 -0.34 0.00 0.00 178.44 177.98 1a8i h HIS 36 N 1.12 -0.00 -0.10 1.25 2.76 -1.03 -1.86 115.15 117.28 1a8i h HIS 36 Ca 0.42 -0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.40 1a8i h HIS 36 Cb 0.17 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.14 1a8i h HIS 36 CO -0.01 -0.00 -0.65 0.74 -1.30 0.00 0.00 177.93 176.71 1a8i h PHE 37 N -0.48 0.85 0.02 5.26 0.04 -0.87 -1.40 116.94 120.36 1a8i h PHE 37 Ca -0.00 -0.39 -0.00 0.00 2.80 0.00 0.00 57.97 60.38 1a8i h PHE 37 Cb 0.00 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1a8i h PHE 37 CO 0.00 1.20 -0.01 1.15 -0.60 0.00 0.00 178.31 180.05 1a8i h THR 38 N 0.27 1.32 0.00 -1.55 2.02 -1.31 -3.39 112.91 110.27 1a8i h THR 38 Ca -0.05 -1.87 -0.08 0.00 0.77 0.00 0.00 66.41 65.18 1a8i h THR 38 Cb 1.29 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 1a8i h THR 38 CO 0.13 0.43 -0.78 -0.07 0.37 0.00 0.00 175.52 175.60 1a8i h LEU 39 N -0.95 0.00 -1.89 2.58 3.38 -1.32 -3.49 115.31 113.63 1a8i h LEU 39 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 1a8i h LEU 39 Cb 0.72 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.64 1a8i h LEU 39 CO 0.00 0.34 -0.73 0.52 0.09 0.00 0.00 178.44 178.66 1a8i n VAL 40 N -3.00 -6.31 -4.48 1.22 0.31 -0.53 -5.00 118.33 100.55 1a8i n VAL 40 Ca -0.01 -0.66 -0.23 0.00 -0.01 0.00 0.00 64.34 63.42 1a8i n VAL 40 Cb 0.69 -5.18 -0.09 0.00 -0.91 0.00 0.00 33.84 28.35 1a8i n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a8i s LYS 41 N -5.00 1.77 0.03 5.55 -0.14 -0.72 -5.04 119.74 116.19 1a8i s LYS 41 Ca 0.11 -2.03 -0.07 0.00 -1.36 0.00 0.00 55.97 52.62 1a8i s LYS 41 Cb -0.01 -0.75 -0.00 0.00 -1.68 0.00 0.00 37.83 35.39 1a8i s LYS 41 CO 0.67 -0.32 0.14 0.16 -0.76 0.00 0.00 175.35 175.25 1a8i s ASP 42 N -3.54 0.10 0.60 2.83 -4.77 -1.26 -4.22 116.67 106.42 1a8i s ASP 42 Ca 0.30 -0.43 0.29 0.00 -3.30 0.00 0.00 52.55 49.41 1a8i s ASP 42 Cb 0.06 0.25 1.54 0.00 -1.09 0.00 0.00 42.92 43.68 1a8i s ASP 42 CO 0.15 -0.51 1.95 0.03 0.70 0.00 0.00 175.17 177.48 1a8i h ARG 43 N 3.64 0.00 -0.21 2.11 2.47 -1.97 -1.92 114.38 118.51 1a8i h ARG 43 Ca -0.32 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.24 1a8i h ARG 43 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 1a8i h ARG 43 CO 0.48 0.00 -0.52 -0.97 0.56 0.00 0.00 179.97 179.52 1a8i h ASN 44 N 0.00 0.65 0.09 7.04 -1.24 -2.05 -3.29 115.58 116.78 1a8i h ASN 44 Ca 0.15 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1a8i h ASN 44 Cb 0.94 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.80 1a8i h ASN 44 CO -0.00 1.05 -1.20 1.33 -1.29 0.00 0.00 177.43 177.32 1a8i n VAL 45 N -3.98 0.03 -1.86 2.57 0.24 -0.89 -4.99 118.33 109.45 1a8i n VAL 45 Ca -0.03 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 1a8i n VAL 45 Cb 0.59 0.62 -0.02 0.00 -1.47 0.00 0.00 33.84 33.56 1a8i n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a8i s ALA 46 N -3.15 3.72 0.46 2.33 0.00 -0.77 -4.97 121.76 119.38 1a8i s ALA 46 Ca 0.04 1.49 0.07 0.00 0.00 0.00 0.00 51.96 53.56 1a8i s ALA 46 Cb 0.15 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1a8i s ALA 46 CO 0.86 -0.90 0.63 0.95 0.00 0.00 0.00 175.76 177.31 1a8i s THR 47 N 0.10 2.84 0.36 0.00 -4.23 -1.26 -4.98 115.64 108.47 1a8i s THR 47 Ca 0.63 -0.94 0.07 0.00 -1.18 0.00 0.00 61.69 60.27 1a8i s THR 47 Cb -0.46 -2.90 0.31 0.00 1.34 0.00 0.00 72.50 70.79 1a8i s THR 47 CO 0.45 0.00 1.92 -0.65 -0.54 0.00 0.00 174.62 175.80 1a8i h PRO 48 N 0.48 0.70 -0.57 3.99 0.11 -1.99 -0.68 132.00 134.04 1a8i h PRO 48 Ca -0.39 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1a8i h PRO 48 Cb 1.28 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1a8i h PRO 48 CO 0.45 0.46 0.25 -0.09 -0.21 0.00 0.00 178.00 178.87 1a8i h ARG 49 N 0.72 0.83 -0.79 1.05 2.43 -1.96 -0.50 114.38 116.17 1a8i h ARG 49 Ca 0.36 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1a8i h ARG 49 Cb 0.45 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1a8i h ARG 49 CO -0.14 0.70 0.45 -0.44 -1.51 0.00 0.00 179.97 179.03 1a8i h ASP 50 N 0.77 0.97 -0.50 -3.80 3.32 -1.55 -1.02 116.42 114.62 1a8i h ASP 50 Ca 0.19 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1a8i h ASP 50 Cb 0.16 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1a8i h ASP 50 CO -0.02 0.78 0.09 1.88 -1.72 0.00 0.00 179.24 180.24 1a8i h TYR 51 N 1.09 0.92 -0.05 4.55 0.05 -0.82 -0.20 116.97 122.52 1a8i h TYR 51 Ca 0.28 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.96 1a8i h TYR 51 Cb 0.01 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 1a8i h TYR 51 CO -0.00 0.80 -0.00 -0.92 -1.05 0.00 0.00 178.16 176.98 1a8i h TYR 52 N 0.84 -0.01 -0.61 4.88 3.20 -0.64 -1.43 116.97 123.20 1a8i h TYR 52 Ca 0.17 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1a8i h TYR 52 Cb 0.38 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1a8i h TYR 52 CO 0.02 -0.01 0.32 0.74 -1.64 0.00 0.00 178.16 177.59 1a8i h PHE 53 N 0.01 0.83 -0.76 -3.82 0.04 -0.61 0.06 116.94 112.70 1a8i h PHE 53 Ca 0.02 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1a8i h PHE 53 Cb 0.03 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 1a8i h PHE 53 CO -0.11 0.59 0.24 0.00 -0.60 0.00 0.00 178.31 178.44 1a8i h ALA 54 N 1.50 1.00 -0.14 2.45 0.00 -0.69 -0.20 119.26 123.19 1a8i h ALA 54 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1a8i h ALA 54 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1a8i h ALA 54 CO -0.03 0.67 0.02 1.25 0.00 0.00 0.00 179.25 181.16 1a8i h LEU 55 N 1.12 0.22 -0.81 0.00 5.85 -0.82 -1.49 115.31 119.37 1a8i h LEU 55 Ca 0.24 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1a8i h LEU 55 Cb 0.30 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1a8i h LEU 55 CO -0.01 0.43 0.50 0.00 -0.34 0.00 0.00 178.44 179.03 1a8i h ALA 56 N 0.80 1.10 -0.38 1.25 0.00 -0.60 0.41 119.26 121.83 1a8i h ALA 56 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1a8i h ALA 56 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1a8i h ALA 56 CO 0.00 0.26 -0.18 0.45 0.00 0.00 0.00 179.25 179.78 1a8i h HIS 57 N 0.94 0.80 -0.49 0.00 3.86 -1.01 0.80 115.15 120.05 1a8i h HIS 57 Ca 0.35 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1a8i h HIS 57 Cb 0.12 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1a8i h HIS 57 CO -0.04 0.85 0.17 1.15 0.86 0.00 0.00 177.93 180.92 1a8i h THR 58 N 0.64 1.22 -0.46 2.45 2.02 -0.10 -2.43 112.91 116.25 1a8i h THR 58 Ca 0.10 -0.71 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 1a8i h THR 58 Cb 0.66 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1a8i h THR 58 CO 0.05 0.26 -0.07 0.58 0.37 0.00 0.00 175.52 176.71 1a8i h VAL 59 N 0.65 1.27 -0.95 3.16 2.07 -0.78 -2.73 116.25 118.94 1a8i h VAL 59 Ca 0.16 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.58 1a8i h VAL 59 Cb 0.24 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1a8i h VAL 59 CO -0.01 0.40 0.60 -0.09 0.02 0.00 0.00 177.57 178.49 1a8i h ARG 60 N 0.70 1.04 -0.73 1.57 2.43 -0.72 -0.19 114.38 118.47 1a8i h ARG 60 Ca 0.12 -0.06 0.19 0.00 -0.81 0.00 0.00 59.98 59.42 1a8i h ARG 60 Cb 0.60 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1a8i h ARG 60 CO 0.04 0.69 0.51 -0.44 -1.51 0.00 0.00 179.97 179.26 1a8i h ASP 61 N 1.07 0.13 1.04 -3.80 3.32 -1.11 -0.57 116.42 116.51 1a8i h ASP 61 Ca 0.42 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1a8i h ASP 61 Cb 0.21 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1a8i h ASP 61 CO -0.19 0.06 0.00 0.45 -1.72 0.00 0.00 179.24 177.84 1a8i h HIS 62 N 0.13 0.00 0.00 4.55 3.86 -1.06 -2.90 115.15 119.73 1a8i h HIS 62 Ca 0.36 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.49 1a8i h HIS 62 Cb 1.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 1a8i h HIS 62 CO -0.00 0.00 -0.41 -0.07 0.86 0.00 0.00 177.93 178.31 1a8i h LEU 63 N 0.00 0.00 0.16 2.43 3.38 -1.14 -3.41 115.31 116.73 1a8i h LEU 63 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1a8i h LEU 63 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1a8i h LEU 63 CO 0.00 0.34 -0.08 0.58 0.09 0.00 0.00 178.44 179.38 1a8i h VAL 64 N 0.00 0.88 -0.68 1.22 2.07 -1.51 -0.13 116.25 118.10 1a8i h VAL 64 Ca -0.01 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1a8i h VAL 64 Cb 1.27 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1a8i h VAL 64 CO 0.04 0.05 0.28 1.23 0.02 0.00 0.00 177.57 179.19 1a8i h GLY 65 N -0.31 1.08 1.66 2.17 0.00 -1.78 -1.46 103.07 104.43 1a8i h GLY 65 Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 1a8i h GLY 65 CO 0.04 0.55 -0.18 3.21 0.00 0.00 0.00 176.54 180.15 1a8i h ARG 66 N 0.96 0.41 -0.13 4.80 3.08 -1.75 0.35 114.38 122.10 1a8i h ARG 66 Ca 0.23 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1a8i h ARG 66 Cb 0.19 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1a8i h ARG 66 CO -0.02 0.58 -0.02 2.35 -1.07 0.00 0.00 179.97 181.79 1a8i h TRP 67 N 0.37 0.27 -0.50 3.04 7.01 -0.59 0.72 115.95 126.27 1a8i h TRP 67 Ca 0.07 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 60.95 1a8i h TRP 67 Cb 0.54 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 1a8i h TRP 67 CO 0.01 0.52 0.09 0.82 -2.79 0.00 0.00 178.44 177.09 1a8i h ILE 68 N -0.05 1.25 -0.45 2.65 2.04 -1.11 -2.14 117.51 119.70 1a8i h ILE 68 Ca 0.03 -0.91 -0.12 0.00 1.00 0.00 0.00 64.86 64.86 1a8i h ILE 68 Cb 0.42 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1a8i h ILE 68 CO 0.01 0.33 -0.20 0.03 0.00 0.00 0.00 178.15 178.31 1a8i h ARG 69 N 0.70 0.93 0.02 2.37 3.08 -0.84 -1.64 114.38 119.01 1a8i h ARG 69 Ca 0.15 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1a8i h ARG 69 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1a8i h ARG 69 CO 0.01 1.06 -0.04 1.15 -1.07 0.00 0.00 179.97 181.08 1a8i h THR 70 N 0.77 0.89 -0.44 2.04 2.02 -0.81 0.14 112.91 117.52 1a8i h THR 70 Ca 0.10 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 1a8i h THR 70 Cb 0.77 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1a8i h THR 70 CO 0.06 0.00 0.09 1.56 0.37 0.00 0.00 175.52 177.60 1a8i h GLN 71 N -0.09 0.67 -0.37 6.66 1.08 -1.35 -1.54 115.11 120.18 1a8i h GLN 71 Ca 0.01 -0.13 -0.10 0.00 -1.45 0.00 0.00 58.65 56.98 1a8i h GLN 71 Cb 0.10 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1a8i h GLN 71 CO -0.03 0.63 -0.18 0.37 -0.95 0.00 0.00 178.83 178.67 1a8i h GLN 72 N 0.65 0.69 -0.02 1.46 5.75 -1.07 -2.55 115.11 120.01 1a8i h GLN 72 Ca 0.14 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1a8i h GLN 72 Cb 0.28 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 1a8i h GLN 72 CO 0.00 0.82 0.01 1.25 -2.65 0.00 0.00 178.83 178.27 1a8i h HIS 73 N 0.61 0.03 -0.53 3.99 2.76 -0.27 -0.61 115.15 121.14 1a8i h HIS 73 Ca 0.10 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1a8i h HIS 73 Cb 0.64 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.55 1a8i h HIS 73 CO 0.03 0.06 0.27 1.88 -1.30 0.00 0.00 177.93 178.87 1a8i h TYR 74 N -0.01 0.50 -0.40 5.26 0.05 -1.18 0.12 116.97 121.31 1a8i h TYR 74 Ca 0.01 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 1a8i h TYR 74 Cb 0.04 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 1a8i h TYR 74 CO -0.06 0.24 0.05 -0.92 -1.05 0.00 0.00 178.16 176.41 1a8i h TYR 75 N 0.52 0.62 0.37 4.88 3.20 -1.19 0.42 116.97 125.79 1a8i h TYR 75 Ca 0.24 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1a8i h TYR 75 Cb 0.15 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1a8i h TYR 75 CO -0.10 0.57 -0.18 0.93 -1.64 0.00 0.00 178.16 177.74 1a8i h GLU 76 N 0.58 -0.47 0.00 1.82 5.08 -0.31 -3.35 114.58 117.93 1a8i h GLU 76 Ca 0.13 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1a8i h GLU 76 Cb 0.30 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1a8i h GLU 76 CO 0.00 -0.32 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.31 1a8i h LYS 77 N -1.08 0.00 -6.32 2.33 3.11 -0.79 -3.48 116.57 110.34 1a8i h LYS 77 Ca -0.05 0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 57.33 1a8i h LYS 77 Cb 0.38 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1a8i h LYS 77 CO 0.08 0.17 -0.90 -3.47 -2.81 0.00 0.00 179.45 172.52 1a8i n ASP 78 N -3.70 -2.57 -4.82 4.20 2.03 0.15 -4.98 116.55 106.86 1a8i n ASP 78 Ca -0.02 -0.98 -0.30 0.00 0.52 0.00 0.00 54.79 54.01 1a8i n ASP 78 Cb 0.28 -3.34 0.07 0.00 -0.72 0.00 0.00 41.12 37.42 1a8i n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1a8i s PRO 79 N -6.23 2.39 0.34 -0.67 0.04 -1.26 -4.98 135.00 124.64 1a8i s PRO 79 Ca 0.20 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1a8i s PRO 79 Cb -0.07 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1a8i s PRO 79 CO 0.87 -1.41 1.47 1.17 0.04 0.00 0.00 177.00 179.13 1a8i n LYS 80 N -3.30 2.52 -4.24 4.56 4.81 -1.26 -4.97 118.16 116.28 1a8i n LYS 80 Ca 0.07 0.89 -0.35 0.00 -0.87 0.00 0.00 58.31 58.05 1a8i n LYS 80 Cb 0.56 -2.59 -0.09 0.00 0.02 0.00 0.00 35.03 32.93 1a8i n LYS 80 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1a8i s ARG 81 N -1.52 3.21 -0.23 1.64 0.52 -0.30 -4.54 118.95 117.74 1a8i s ARG 81 Ca 0.58 -0.35 -0.09 0.00 -0.52 0.00 0.00 55.73 55.35 1a8i s ARG 81 Cb -0.51 -2.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 1a8i s ARG 81 CO 0.59 0.65 0.12 0.42 0.02 0.00 0.00 175.30 177.09 1a8i s ILE 82 N -0.72 5.00 -0.28 1.52 -1.09 -0.66 -0.99 121.20 123.97 1a8i s ILE 82 Ca 0.12 0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1a8i s ILE 82 Cb -0.12 -3.31 0.03 0.00 -1.58 0.00 0.00 42.46 37.48 1a8i s ILE 82 CO 0.02 0.37 0.00 -0.31 -1.23 0.00 0.00 174.94 173.80 1a8i s TYR 83 N 0.98 3.17 -0.43 3.97 2.02 0.11 -0.46 117.35 126.71 1a8i s TYR 83 Ca 0.06 -1.53 -0.12 0.00 -0.37 0.00 0.00 57.07 55.10 1a8i s TYR 83 Cb -0.14 -2.14 0.07 0.00 -0.40 0.00 0.00 41.96 39.35 1a8i s TYR 83 CO 0.03 -0.72 0.31 -0.47 -1.57 0.00 0.00 175.55 173.13 1a8i s TYR 84 N 1.34 3.28 -0.17 2.71 5.04 -0.56 -0.67 117.35 128.32 1a8i s TYR 84 Ca -0.01 -1.15 -0.13 0.00 -2.44 0.00 0.00 57.07 53.33 1a8i s TYR 84 Cb -0.18 -2.95 -0.05 0.00 0.35 0.00 0.00 41.96 39.13 1a8i s TYR 84 CO -0.01 -0.79 0.27 -0.51 -1.34 0.00 0.00 175.55 173.17 1a8i s LEU 85 N 1.54 4.23 -0.14 6.97 1.02 -0.50 -1.17 118.68 130.62 1a8i s LEU 85 Ca 0.03 0.45 -0.16 0.00 0.02 0.00 0.00 54.13 54.48 1a8i s LEU 85 Cb -0.23 -2.33 0.04 0.00 0.02 0.00 0.00 46.19 43.69 1a8i s LEU 85 CO 0.05 0.10 0.43 -0.55 0.02 0.00 0.00 176.35 176.40 1a8i s SER 86 N 0.51 -0.44 0.00 2.29 0.15 -0.62 -2.19 113.70 113.40 1a8i s SER 86 Ca 0.15 0.79 0.29 0.00 0.70 0.00 0.00 55.95 57.88 1a8i s SER 86 Cb -0.13 0.82 1.33 0.00 -1.71 0.00 0.00 66.02 66.34 1a8i s SER 86 CO 0.03 -0.20 1.90 0.18 1.20 0.00 0.00 173.24 176.35 1a8i n LEU 87 N 2.60 0.96 -3.89 3.45 7.99 -1.26 -4.17 117.00 122.67 1a8i n LEU 87 Ca -0.14 -0.33 -0.15 0.00 -0.01 0.00 0.00 56.01 55.38 1a8i n LEU 87 Cb 0.57 -0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.73 1a8i n LEU 87 CO 0.14 0.16 -0.38 -1.61 -1.51 0.00 0.00 177.39 174.19 1a8i s GLU 88 N -1.99 0.26 -0.31 3.23 2.02 -1.26 -4.75 118.70 115.90 1a8i s GLU 88 Ca 0.41 -0.05 -0.02 0.00 0.02 0.00 0.00 54.97 55.33 1a8i s GLU 88 Cb 0.21 -0.31 0.10 0.00 0.10 0.00 0.00 34.13 34.23 1a8i s GLU 88 CO 0.34 -0.00 0.12 -0.06 0.02 0.00 0.00 175.26 175.68 1a8i s PHE 89 N 0.28 1.01 -1.22 1.61 0.08 -0.41 -4.64 117.98 114.69 1a8i s PHE 89 Ca -0.03 -1.34 -0.13 0.00 0.12 0.00 0.00 56.93 55.55 1a8i s PHE 89 Cb -0.05 -1.30 0.17 0.00 -0.57 0.00 0.00 43.02 41.27 1a8i s PHE 89 CO -0.01 -0.85 1.49 0.98 -0.10 0.00 0.00 175.22 176.73 1a8i n TYR 90 N 4.98 4.71 0.17 0.36 4.19 0.06 -3.69 117.16 127.93 1a8i n TYR 90 Ca -0.03 -3.30 0.04 0.00 3.31 0.00 0.00 57.90 57.92 1a8i n TYR 90 Cb 0.42 -2.14 0.25 0.00 0.49 0.00 0.00 39.34 38.36 1a8i n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 1a8i h MET 91 N 6.92 0.00 0.00 2.98 2.86 -1.80 -3.42 114.93 122.47 1a8i h MET 91 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1a8i h MET 91 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1a8i h MET 91 CO 1.29 0.46 0.00 0.41 1.06 0.00 0.00 176.91 180.13 1a8i n GLY 92 N 0.40 -0.89 3.85 8.32 0.00 -0.84 -4.83 105.19 111.20 1a8i n GLY 92 Ca -0.00 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 1a8i n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a8i s ARG 93 N 0.00 3.92 -0.01 1.61 0.52 -1.26 -1.62 118.95 122.12 1a8i s ARG 93 Ca 0.00 0.73 0.05 0.00 -0.52 0.00 0.00 55.73 56.00 1a8i s ARG 93 Cb 0.00 -2.29 -0.08 0.00 0.52 0.00 0.00 34.95 33.10 1a8i s ARG 93 CO 0.00 -0.08 0.12 2.41 0.02 0.00 0.00 175.30 177.77 1a8i n THR 94 N -1.16 0.00 0.23 0.02 -1.04 -1.26 -4.69 114.28 106.38 1a8i n THR 94 Ca 0.04 -0.13 -0.15 0.00 -2.04 0.00 0.00 64.05 61.77 1a8i n THR 94 Cb 0.54 0.40 -0.08 0.00 -1.82 0.00 0.00 70.33 69.37 1a8i n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1a8i h LEU 95 N 0.00 -0.51 -0.82 -4.42 5.85 -1.96 -1.17 115.31 112.28 1a8i h LEU 95 Ca 0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1a8i h LEU 95 Cb 0.24 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1a8i h LEU 95 CO 0.00 -0.34 0.22 -0.61 -0.34 0.00 0.00 178.44 177.36 1a8i h GLN 96 N -0.56 1.09 -0.94 1.25 4.15 -1.97 -1.84 115.11 116.30 1a8i h GLN 96 Ca -0.05 -0.23 0.01 0.00 0.77 0.00 0.00 58.65 59.15 1a8i h GLN 96 Cb 0.44 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.92 1a8i h GLN 96 CO 0.07 0.93 0.62 -0.97 -1.93 0.00 0.00 178.83 177.56 1a8i h ASN 97 N 1.05 1.08 -0.17 -0.69 -0.73 -1.81 0.23 115.58 114.55 1a8i h ASN 97 Ca 0.23 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 1a8i h ASN 97 Cb 0.30 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1a8i h ASN 97 CO -0.01 0.78 -0.02 0.74 -0.37 0.00 0.00 177.43 178.55 1a8i h THR 98 N 1.27 1.28 -0.41 -3.57 2.02 -0.84 -1.80 112.91 110.86 1a8i h THR 98 Ca 0.34 -0.95 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 1a8i h THR 98 Cb -0.15 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1a8i h THR 98 CO -0.07 0.28 -0.08 0.24 0.37 0.00 0.00 175.52 176.26 1a8i h MET 99 N 0.03 0.70 -0.25 6.66 2.86 -0.52 -1.92 114.93 122.48 1a8i h MET 99 Ca 0.04 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1a8i h MET 99 Cb 0.44 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1a8i h MET 99 CO 0.01 0.77 0.11 0.28 1.06 0.00 0.00 176.91 179.14 1a8i h VAL 100 N 0.64 1.16 0.00 -2.22 2.07 -0.34 0.54 116.25 118.10 1a8i h VAL 100 Ca 0.12 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1a8i h VAL 100 Cb 0.52 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1a8i h VAL 100 CO 0.03 0.16 -0.32 0.78 0.02 0.00 0.00 177.57 178.24 1a8i h ASN 101 N 0.26 0.00 0.05 0.57 2.35 -1.18 -2.65 115.58 114.98 1a8i h ASN 101 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1a8i h ASN 101 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1a8i h ASN 101 CO -0.01 0.32 -0.34 0.18 -1.65 0.00 0.00 177.43 175.93 1a8i n LEU 102 N -3.81 1.85 -2.35 1.61 4.77 -0.74 -1.43 117.00 116.89 1a8i n LEU 102 Ca -0.01 -0.64 -0.13 0.00 -0.03 0.00 0.00 56.01 55.20 1a8i n LEU 102 Cb 0.40 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1a8i n LEU 102 CO 0.36 0.34 0.12 0.00 -1.33 0.00 0.00 177.39 176.88 1a8i n ALA 103 N -0.02 -0.89 0.43 -1.18 0.00 -0.56 -4.94 120.51 113.36 1a8i n ALA 103 Ca 0.11 0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.77 1a8i n ALA 103 Cb 0.45 -2.96 0.03 0.00 0.00 0.00 0.00 19.45 16.97 1a8i n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1a8i n LEU 104 N -3.07 1.71 0.21 0.00 4.77 0.07 -4.59 117.00 116.10 1a8i n LEU 104 Ca -0.04 -0.94 -0.15 0.00 -0.03 0.00 0.00 56.01 54.84 1a8i n LEU 104 Cb 0.55 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 1a8i n LEU 104 CO 0.38 0.33 0.72 -0.08 -1.33 0.00 0.00 177.39 177.41 1a8i h GLU 105 N 1.82 -0.46 -0.23 3.23 4.81 -1.66 0.04 114.58 122.14 1a8i h GLU 105 Ca 0.00 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1a8i h GLU 105 Cb 0.41 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1a8i h GLU 105 CO 0.00 -0.27 -0.21 -0.91 -0.73 0.00 0.00 179.01 176.88 1a8i h ASN 106 N -0.53 0.40 -0.32 1.04 -0.26 -1.62 -1.10 115.58 113.19 1a8i h ASN 106 Ca -0.05 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.53 1a8i h ASN 106 Cb 0.40 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1a8i h ASN 106 CO 0.08 0.63 0.05 0.00 -1.06 0.00 0.00 177.43 177.13 1a8i h ALA 107 N 1.41 0.43 -0.16 -0.83 0.00 -1.59 -0.63 119.26 117.89 1a8i h ALA 107 Ca 0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1a8i h ALA 107 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a8i h ALA 107 CO 0.04 0.12 -0.24 0.00 0.00 0.00 0.00 179.25 179.17 1a8i h ASP 109 N 0.26 1.04 -0.08 0.00 3.58 -0.62 -0.49 116.42 120.10 1a8i h ASP 109 Ca 0.04 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 1a8i h ASP 109 Cb 0.58 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1a8i h ASP 109 CO 0.04 1.07 -0.13 -0.08 -2.88 0.00 0.00 179.24 177.26 1a8i h GLU 110 N 0.97 0.24 -0.26 0.28 4.57 -0.79 -0.43 114.58 119.16 1a8i h GLU 110 Ca 0.18 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 58.26 1a8i h GLU 110 Cb 0.52 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 1a8i h GLU 110 CO 0.02 0.71 -0.03 0.00 -1.18 0.00 0.00 179.01 178.54 1a8i h ALA 111 N 0.52 0.20 -0.18 2.92 0.00 -0.64 0.36 119.26 122.44 1a8i h ALA 111 Ca 0.01 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1a8i h ALA 111 Cb 0.70 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1a8i h ALA 111 CO 0.03 -0.44 -0.29 1.79 0.00 0.00 0.00 179.25 180.34 1a8i h THR 112 N 0.04 1.27 -0.52 0.00 1.35 -1.07 -2.46 112.91 111.51 1a8i h THR 112 Ca 0.12 -1.27 -0.07 0.00 -0.55 0.00 0.00 66.41 64.64 1a8i h THR 112 Cb 0.17 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1a8i h THR 112 CO -0.23 0.39 0.04 0.22 -0.25 0.00 0.00 175.52 175.69 1a8i h TYR 113 N 0.31 0.96 0.00 4.73 3.20 -0.43 0.34 116.97 126.07 1a8i h TYR 113 Ca 0.04 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 1a8i h TYR 113 Cb 0.67 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1a8i h TYR 113 CO 0.02 0.88 -0.08 1.96 -1.64 0.00 0.00 178.16 179.30 1a8i h GLN 114 N 0.77 0.00 -0.01 1.82 4.20 -0.63 -0.05 115.11 121.22 1a8i h GLN 114 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1a8i h GLN 114 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1a8i h GLN 114 CO 0.02 0.08 0.00 1.28 -0.67 0.00 0.00 178.83 179.54 1a8i n LEU 115 N -3.69 0.73 0.00 1.46 4.77 -0.84 -4.92 117.00 114.52 1a8i n LEU 115 Ca -0.02 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1a8i n LEU 115 Cb 0.18 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1a8i n LEU 115 CO 0.29 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1a8i n GLY 116 N 1.08 0.61 3.50 -0.72 0.00 -0.03 -5.06 105.19 104.57 1a8i n GLY 116 Ca 0.21 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1a8i n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a8i s LEU 117 N 0.00 2.72 -0.42 0.99 1.43 0.05 -5.02 118.68 118.43 1a8i s LEU 117 Ca 0.00 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1a8i s LEU 117 Cb 0.00 -1.36 0.06 0.00 0.03 0.00 0.00 46.19 44.92 1a8i s LEU 117 CO 0.00 0.08 0.28 -0.62 0.23 0.00 0.00 176.35 176.33 1a8i s ASP 118 N -3.03 5.81 0.38 2.29 -1.08 -1.26 -3.35 116.67 116.42 1a8i s ASP 118 Ca 0.25 -1.32 0.12 0.00 -0.52 0.00 0.00 52.55 51.08 1a8i s ASP 118 Cb -0.07 -2.05 0.91 0.00 -1.46 0.00 0.00 42.92 40.24 1a8i s ASP 118 CO 0.14 -0.53 1.86 -0.03 0.52 0.00 0.00 175.17 177.13 1a8i h MET 119 N 8.51 0.57 -0.35 4.34 1.85 -1.91 -1.12 114.93 126.83 1a8i h MET 119 Ca -0.25 -0.03 -0.11 0.00 -0.61 0.00 0.00 59.70 58.70 1a8i h MET 119 Cb 1.10 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.98 1a8i h MET 119 CO 0.77 0.38 -0.21 0.93 -0.40 0.00 0.00 176.91 178.37 1a8i h GLU 120 N 0.59 0.68 -0.56 0.39 5.08 -1.99 -0.20 114.58 118.58 1a8i h GLU 120 Ca 0.46 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1a8i h GLU 120 Cb 0.87 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1a8i h GLU 120 CO -0.20 0.84 -0.02 1.49 -1.00 0.00 0.00 179.01 180.12 1a8i h GLU 121 N 0.60 0.97 -0.42 2.33 4.81 -1.66 -2.70 114.58 118.51 1a8i h GLU 121 Ca 0.09 -0.30 -0.09 0.00 -0.13 0.00 0.00 59.36 58.92 1a8i h GLU 121 Cb 0.69 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1a8i h GLU 121 CO 0.05 0.97 -0.12 -0.07 -0.73 0.00 0.00 179.01 179.10 1a8i h LEU 122 N 0.89 0.76 -1.71 1.64 3.38 -0.95 -2.71 115.31 116.60 1a8i h LEU 122 Ca 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1a8i h LEU 122 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1a8i h LEU 122 CO 0.03 0.90 -0.06 -0.33 0.09 0.00 0.00 178.44 179.07 1a8i h GLU 123 N 0.69 0.10 0.00 1.13 5.08 -0.73 -1.98 114.58 118.88 1a8i h GLU 123 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1a8i h GLU 123 Cb 0.60 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1a8i h GLU 123 CO 0.04 0.18 0.00 0.93 -1.00 0.00 0.00 179.01 179.16 1a8i h GLU 124 N 0.10 0.00 0.00 2.33 4.39 -1.23 -2.79 114.58 117.38 1a8i h GLU 124 Ca 0.02 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1a8i h GLU 124 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1a8i h GLU 124 CO 0.01 0.00 -0.59 0.82 -1.16 0.00 0.00 179.01 178.09 1a8i h ILE 125 N 0.00 1.42 -3.95 3.13 1.08 -1.42 -3.45 117.51 114.31 1a8i h ILE 125 Ca 0.00 -2.03 -0.54 0.00 -0.39 0.00 0.00 64.86 61.90 1a8i h ILE 125 Cb 0.30 2.10 0.10 0.00 -3.07 0.00 0.00 36.82 36.25 1a8i h ILE 125 CO 0.00 0.58 0.71 -0.70 -0.69 0.00 0.00 178.15 178.05 1a8i s GLU 126 N -3.66 3.97 0.10 2.37 2.12 -1.06 -5.00 118.70 117.54 1a8i s GLU 126 Ca -0.01 2.41 -0.22 0.00 0.36 0.00 0.00 54.97 57.51 1a8i s GLU 126 Cb 0.13 -2.84 -0.07 0.00 0.26 0.00 0.00 34.13 31.61 1a8i s GLU 126 CO 0.76 -0.58 0.66 -1.21 -0.54 0.00 0.00 175.26 174.35 1a8i s GLU 127 N -2.21 4.37 0.55 4.30 0.41 -1.26 -4.96 118.70 119.90 1a8i s GLU 127 Ca 0.56 0.92 -0.22 0.00 -0.41 0.00 0.00 54.97 55.82 1a8i s GLU 127 Cb -0.43 -3.27 -0.05 0.00 -1.78 0.00 0.00 34.13 28.60 1a8i s GLU 127 CO 0.57 0.57 1.36 -0.25 -0.49 0.00 0.00 175.26 177.02 1a8i n ASP 128 N 1.84 2.68 -4.50 -0.19 8.00 -1.26 -4.57 116.55 118.55 1a8i n ASP 128 Ca -0.08 0.97 -0.42 0.00 0.71 0.00 0.00 54.79 55.97 1a8i n ASP 128 Cb 0.50 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.12 39.99 1a8i n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a8i s ALA 129 N -1.29 2.97 -0.86 2.24 0.00 -0.64 -4.88 121.76 119.30 1a8i s ALA 129 Ca 0.72 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1a8i s ALA 129 Cb -0.41 -4.10 0.34 0.00 0.00 0.00 0.00 23.12 18.95 1a8i s ALA 129 CO 0.49 -3.07 1.69 0.41 0.00 0.00 0.00 175.76 175.27 1a8i n GLY 130 N 5.55 5.89 1.33 0.00 0.00 -1.26 -1.98 105.19 114.71 1a8i n GLY 130 Ca 0.06 -2.60 -0.00 0.00 0.00 0.00 0.00 46.02 43.47 1a8i n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a8i n LEU 131 N -0.25 4.52 -3.67 0.99 4.77 -1.24 -1.37 117.00 120.75 1a8i n LEU 131 Ca 0.46 -2.10 -0.10 0.00 -0.03 0.00 0.00 56.01 54.24 1a8i n LEU 131 Cb 0.30 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 1a8i n LEU 131 CO 0.47 0.83 0.37 -0.83 -1.33 0.00 0.00 177.39 176.90 1a8i s GLY 132 N 1.58 -0.27 0.03 -0.72 0.00 -1.26 -1.29 107.32 105.39 1a8i s GLY 132 Ca 0.01 -0.01 0.14 0.00 0.00 0.00 0.00 44.72 44.87 1a8i s GLY 132 CO 0.00 -0.07 0.82 3.43 0.00 0.00 0.00 173.10 177.28 1a8i h ASN 133 N 2.07 0.00 0.00 1.64 2.35 -1.91 -3.39 115.58 116.34 1a8i h ASN 133 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1a8i h ASN 133 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1a8i h ASN 133 CO 0.33 0.77 0.00 0.61 -1.65 0.00 0.00 177.43 177.49 1a8i n GLY 134 N 1.45 -0.62 0.13 2.83 0.00 -1.26 -4.92 105.19 102.80 1a8i n GLY 134 Ca -0.11 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1a8i n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a8i h GLY 135 N 0.00 0.30 0.98 -0.02 0.00 -1.97 -1.50 103.07 100.85 1a8i h GLY 135 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1a8i h GLY 135 CO 0.00 -0.03 -0.00 -2.00 0.00 0.00 0.00 176.54 174.51 1a8i h LEU 136 N 0.14 0.77 -0.68 3.11 6.46 -1.99 0.23 115.31 123.33 1a8i h LEU 136 Ca 0.13 -0.31 -0.10 0.00 -0.12 0.00 0.00 57.88 57.48 1a8i h LEU 136 Cb 0.15 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1a8i h LEU 136 CO -0.19 0.89 -0.04 1.23 -0.62 0.00 0.00 178.44 179.71 1a8i h GLY 137 N 0.62 1.05 1.86 3.75 0.00 -1.81 -2.57 103.07 105.98 1a8i h GLY 137 Ca 0.12 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.53 1a8i h GLY 137 CO 0.02 0.72 -0.59 -0.09 0.00 0.00 0.00 176.54 176.60 1a8i h ARG 138 N 0.89 0.15 -0.69 4.80 9.65 -1.15 0.27 114.38 128.31 1a8i h ARG 138 Ca 0.15 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 1a8i h ARG 138 Cb 0.58 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.14 1a8i h ARG 138 CO 0.03 0.70 0.34 1.25 2.80 0.00 0.00 179.97 185.09 1a8i h LEU 139 N 0.11 0.89 -1.13 3.80 5.85 -0.34 -1.63 115.31 122.86 1a8i h LEU 139 Ca -0.01 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1a8i h LEU 139 Cb 1.08 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1a8i h LEU 139 CO 0.09 0.77 0.51 0.00 -0.34 0.00 0.00 178.44 179.46 1a8i h ALA 140 N 1.16 1.36 -0.33 1.25 0.00 -1.33 0.17 119.26 121.53 1a8i h ALA 140 Ca 0.24 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1a8i h ALA 140 Cb 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1a8i h ALA 140 CO -0.03 0.57 -0.47 0.00 0.00 0.00 0.00 179.25 179.32 1a8i h ALA 141 N 1.44 0.54 -0.48 0.00 0.00 -1.09 -0.79 119.26 118.88 1a8i h ALA 141 Ca 0.30 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1a8i h ALA 141 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1a8i h ALA 141 CO -0.06 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 1a8i h PHE 143 N 0.76 0.94 -0.80 0.00 -1.00 -0.51 -0.70 116.94 115.64 1a8i h PHE 143 Ca 0.14 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 1a8i h PHE 143 Cb 0.54 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.79 1a8i h PHE 143 CO 0.03 0.76 0.31 -0.07 -1.61 0.00 0.00 178.31 177.73 1a8i h LEU 144 N 0.84 1.11 -0.33 1.54 4.07 -0.79 0.90 115.31 122.65 1a8i h LEU 144 Ca 0.20 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1a8i h LEU 144 Cb 0.24 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1a8i h LEU 144 CO -0.01 0.98 0.20 -0.78 -1.08 0.00 0.00 178.44 177.75 1a8i h ASP 145 N 1.16 0.40 -0.64 -0.43 1.82 -1.12 -2.42 116.42 115.19 1a8i h ASP 145 Ca 0.26 -0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 56.76 1a8i h ASP 145 Cb 0.23 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 1a8i h ASP 145 CO -0.02 0.34 0.08 0.28 -1.61 0.00 0.00 179.24 178.31 1a8i h SER 146 N 0.43 1.05 -0.85 2.28 0.02 -0.83 -0.56 113.55 115.10 1a8i h SER 146 Ca 0.12 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1a8i h SER 146 Cb 0.02 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 1a8i h SER 146 CO -0.02 1.06 0.55 0.24 -1.14 0.00 0.00 176.83 177.52 1a8i h MET 147 N 1.02 1.13 -0.22 3.45 2.86 -0.72 -0.07 114.93 122.37 1a8i h MET 147 Ca 0.19 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.58 1a8i h MET 147 Cb 0.47 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1a8i h MET 147 CO 0.02 0.76 -0.56 0.00 1.06 0.00 0.00 176.91 178.18 1a8i h ALA 148 N 1.45 0.37 0.00 6.32 0.00 -0.88 -1.56 119.26 124.95 1a8i h ALA 148 Ca 0.31 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1a8i h ALA 148 Cb -0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1a8i h ALA 148 CO -0.06 0.59 -0.16 1.15 0.00 0.00 0.00 179.25 180.77 1a8i h THR 149 N 0.50 0.84 -0.53 0.00 2.02 -0.74 -1.51 112.91 113.49 1a8i h THR 149 Ca -0.01 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1a8i h THR 149 Cb 1.18 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1a8i h THR 149 CO 0.12 0.15 0.00 0.18 0.37 0.00 0.00 175.52 176.34 1a8i n LEU 150 N -3.95 3.04 -1.58 2.58 4.77 -0.07 -4.65 117.00 117.13 1a8i n LEU 150 Ca -0.02 -1.52 -0.14 0.00 -0.03 0.00 0.00 56.01 54.29 1a8i n LEU 150 Cb 0.24 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1a8i n LEU 150 CO 0.33 0.70 -0.18 0.61 -1.33 0.00 0.00 177.39 177.52 1a8i n GLY 151 N 1.27 -0.13 3.88 -0.72 0.00 -0.57 -0.73 105.19 108.20 1a8i n GLY 151 Ca 0.18 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1a8i n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a8i s LEU 152 N -4.01 4.07 -1.30 0.99 1.43 -0.61 -4.78 118.68 114.47 1a8i s LEU 152 Ca 0.00 0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 53.88 1a8i s LEU 152 Cb 0.00 -3.73 0.11 0.00 0.03 0.00 0.00 46.19 42.60 1a8i s LEU 152 CO 0.00 -0.17 1.77 0.00 0.23 0.00 0.00 176.35 178.18 1a8i n ALA 153 N -0.57 4.30 -2.57 4.21 0.00 -1.26 -4.75 120.51 119.86 1a8i n ALA 153 Ca 0.00 -4.03 -0.31 0.00 0.00 0.00 0.00 53.44 49.10 1a8i n ALA 153 Cb 0.53 -3.35 -0.11 0.00 0.00 0.00 0.00 19.45 16.52 1a8i n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a8i s ALA 154 N 2.73 2.94 -0.18 0.00 0.00 -1.26 -1.66 121.76 124.33 1a8i s ALA 154 Ca 0.47 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 1a8i s ALA 154 Cb 0.05 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.19 1a8i s ALA 154 CO 0.01 0.61 -0.06 0.71 0.00 0.00 0.00 175.76 177.04 1a8i s TYR 155 N -1.03 1.86 0.14 0.00 1.51 0.40 -4.20 117.35 116.03 1a8i s TYR 155 Ca 0.18 -1.23 -0.24 0.00 -1.01 0.00 0.00 57.07 54.76 1a8i s TYR 155 Cb -0.11 -1.38 -0.08 0.00 -0.11 0.00 0.00 41.96 40.28 1a8i s TYR 155 CO 0.08 -0.66 0.73 0.20 -1.11 0.00 0.00 175.55 174.80 1a8i s GLY 156 N 1.58 2.86 -0.05 0.71 0.00 -0.90 -1.50 107.32 110.02 1a8i s GLY 156 Ca -0.01 0.28 0.02 0.00 0.00 0.00 0.00 44.72 45.02 1a8i s GLY 156 CO -0.08 0.79 -0.11 -0.19 0.00 0.00 0.00 173.10 173.52 1a8i s TYR 157 N -1.07 1.28 0.00 1.90 1.51 -0.32 -0.56 117.35 120.08 1a8i s TYR 157 Ca 0.34 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 1a8i s TYR 157 Cb -0.22 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1a8i s TYR 157 CO 0.24 -0.23 0.00 0.41 -1.11 0.00 0.00 175.55 174.87 1a8i n GLY 158 N 3.73 3.40 3.28 0.71 0.00 -0.83 -1.59 105.19 113.89 1a8i n GLY 158 Ca -0.22 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 1a8i n GLY 158 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1a8i s ILE 159 N -2.55 1.99 -1.06 -0.61 2.07 -1.26 -0.95 121.20 118.83 1a8i s ILE 159 Ca 0.00 -1.06 -0.19 0.00 -1.41 0.00 0.00 60.65 57.99 1a8i s ILE 159 Cb 0.00 -1.66 0.11 0.00 0.13 0.00 0.00 42.46 41.03 1a8i s ILE 159 CO 0.00 0.56 1.35 -0.60 -1.91 0.00 0.00 174.94 174.34 1a8i s ARG 160 N -0.41 3.74 0.24 3.50 3.52 -0.20 -4.73 118.95 124.61 1a8i s ARG 160 Ca 0.04 -1.78 -0.30 0.00 -0.13 0.00 0.00 55.73 53.57 1a8i s ARG 160 Cb -0.11 -5.15 -0.09 0.00 -1.56 0.00 0.00 34.95 28.04 1a8i s ARG 160 CO 0.01 -1.95 1.33 0.71 -0.81 0.00 0.00 175.30 174.59 1a8i s TYR 161 N 3.29 3.17 0.30 5.12 2.02 -1.26 -4.77 117.35 125.22 1a8i s TYR 161 Ca 0.41 1.23 0.05 0.00 -0.37 0.00 0.00 57.07 58.39 1a8i s TYR 161 Cb -0.02 -3.66 0.47 0.00 -0.40 0.00 0.00 41.96 38.35 1a8i s TYR 161 CO -0.06 -2.02 1.74 0.93 -1.57 0.00 0.00 175.55 174.57 1a8i h GLU 162 N 4.82 0.36 -4.65 -0.62 5.08 -1.04 -3.42 114.58 115.10 1a8i h GLU 162 Ca -0.46 -0.14 -0.61 0.00 -1.00 0.00 0.00 59.36 57.14 1a8i h GLU 162 Cb 1.22 -0.02 -0.36 0.00 0.50 0.00 0.00 28.75 30.09 1a8i h GLU 162 CO 0.75 0.63 -0.82 -0.06 -1.00 0.00 0.00 179.01 178.50 1a8i s PHE 163 N -4.39 2.33 0.00 4.33 0.08 -0.17 -4.26 117.98 115.90 1a8i s PHE 163 Ca -0.06 -1.42 0.00 0.00 0.12 0.00 0.00 56.93 55.57 1a8i s PHE 163 Cb 0.14 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1a8i s PHE 163 CO 0.78 -0.71 0.00 0.41 -0.10 0.00 0.00 175.22 175.59 1a8i n GLY 164 N 4.72 1.05 3.77 4.36 0.00 -1.25 -1.91 105.19 115.93 1a8i n GLY 164 Ca -0.16 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1a8i n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1a8i s ILE 165 N 0.47 2.61 0.79 -0.61 1.10 -0.47 -4.41 121.20 120.68 1a8i s ILE 165 Ca 0.00 0.61 -0.14 0.00 -0.51 0.00 0.00 60.65 60.61 1a8i s ILE 165 Cb 0.00 -3.39 0.03 0.00 0.15 0.00 0.00 42.46 39.25 1a8i s ILE 165 CO 0.00 0.14 0.87 2.22 -2.11 0.00 0.00 174.94 176.06 1a8i n PHE 166 N 0.83 0.23 -2.78 3.50 1.16 -1.26 -4.53 117.46 114.60 1a8i n PHE 166 Ca 0.01 0.36 -0.42 0.00 -1.87 0.00 0.00 57.45 55.53 1a8i n PHE 166 Cb 0.41 -2.01 -0.03 0.00 -1.61 0.00 0.00 39.48 36.24 1a8i n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1a8i s ASN 167 N -1.84 7.25 -0.25 5.98 0.02 -0.30 -4.89 114.94 120.91 1a8i s ASN 167 Ca 0.69 1.51 -0.19 0.00 -1.02 0.00 0.00 52.86 53.85 1a8i s ASN 167 Cb -0.31 -2.53 -0.02 0.00 0.02 0.00 0.00 41.25 38.41 1a8i s ASN 167 CO 0.55 -0.27 0.56 -1.58 0.02 0.00 0.00 177.10 176.38 1a8i s GLN 168 N 1.22 4.09 0.13 -0.60 0.74 -1.26 -1.68 119.66 122.30 1a8i s GLN 168 Ca 0.48 0.42 0.04 0.00 0.05 0.00 0.00 55.36 56.35 1a8i s GLN 168 Cb -0.20 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 1a8i s GLN 168 CO 0.23 -0.36 0.15 0.15 -0.55 0.00 0.00 175.29 174.91 1a8i s LYS 169 N 2.35 3.02 -0.25 1.67 1.02 -0.36 -3.90 119.74 123.29 1a8i s LYS 169 Ca 0.23 -0.74 -0.02 0.00 0.02 0.00 0.00 55.97 55.46 1a8i s LYS 169 Cb -0.16 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1a8i s LYS 169 CO 0.09 0.52 -0.04 0.42 -0.92 0.00 0.00 175.35 175.42 1a8i s ILE 170 N -1.63 3.05 -0.16 2.17 -1.09 -1.26 -0.84 121.20 121.43 1a8i s ILE 170 Ca 0.31 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 1a8i s ILE 170 Cb -0.11 -2.54 0.03 0.00 -1.58 0.00 0.00 42.46 38.26 1a8i s ILE 170 CO 0.24 0.20 -0.12 0.00 -1.23 0.00 0.00 174.94 174.03 1a8i n GLY 172 N 4.77 -0.39 2.43 0.00 0.00 -1.26 -1.27 105.19 109.48 1a8i n GLY 172 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1a8i n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8i n GLY 173 N -1.23 0.38 3.65 -0.02 0.00 -1.26 -5.04 105.19 101.66 1a8i n GLY 173 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1a8i n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1a8i s TRP 174 N -1.85 2.85 0.38 1.61 0.52 -0.39 -3.85 118.94 118.21 1a8i s TRP 174 Ca 0.00 -0.11 -0.26 0.00 0.02 0.00 0.00 56.10 55.75 1a8i s TRP 174 Cb 0.00 -1.44 -0.09 0.00 -1.15 0.00 0.00 33.47 30.80 1a8i s TRP 174 CO 0.00 0.48 1.14 -1.14 0.02 0.00 0.00 176.95 177.45 1a8i s GLN 175 N -2.56 4.16 -0.03 4.98 0.74 -1.26 -0.24 119.66 125.45 1a8i s GLN 175 Ca 0.25 1.77 0.03 0.00 0.05 0.00 0.00 55.36 57.47 1a8i s GLN 175 Cb -0.10 -2.72 -0.00 0.00 1.10 0.00 0.00 33.01 31.28 1a8i s GLN 175 CO 0.17 -0.21 -0.12 -1.64 -0.55 0.00 0.00 175.29 172.94 1a8i s MET 176 N -2.22 1.20 -0.15 1.67 -1.94 -0.02 -4.87 119.30 112.96 1a8i s MET 176 Ca 0.55 -0.42 -0.07 0.00 -1.71 0.00 0.00 55.69 54.05 1a8i s MET 176 Cb -0.29 -1.10 -0.04 0.00 2.01 0.00 0.00 34.83 35.41 1a8i s MET 176 CO 0.37 0.18 0.08 -1.21 -0.01 0.00 0.00 175.02 174.44 1a8i s GLU 177 N 0.04 3.71 0.02 2.03 8.01 -1.26 -1.22 118.70 130.03 1a8i s GLU 177 Ca -0.01 -0.28 0.07 0.00 0.01 0.00 0.00 54.97 54.76 1a8i s GLU 177 Cb -0.09 -3.17 -0.02 0.00 -4.31 0.00 0.00 34.13 26.54 1a8i s GLU 177 CO 0.01 0.48 -0.21 -1.21 0.01 0.00 0.00 175.26 174.34 1a8i s GLU 178 N -0.21 1.55 0.21 1.61 2.02 -0.68 -4.99 118.70 118.21 1a8i s GLU 178 Ca 0.09 -0.85 -0.31 0.00 0.02 0.00 0.00 54.97 53.92 1a8i s GLU 178 Cb -0.12 -1.58 -0.10 0.00 0.10 0.00 0.00 34.13 32.43 1a8i s GLU 178 CO 0.01 0.42 1.47 0.00 0.02 0.00 0.00 175.26 177.18 1a8i s ALA 179 N -0.65 3.67 -0.91 5.21 0.00 -1.26 -1.15 121.76 126.67 1a8i s ALA 179 Ca 0.08 1.32 -0.21 0.00 0.00 0.00 0.00 51.96 53.15 1a8i s ALA 179 Cb -0.08 -3.57 0.10 0.00 0.00 0.00 0.00 23.12 19.56 1a8i s ALA 179 CO 0.01 -0.74 1.19 0.34 0.00 0.00 0.00 175.76 176.55 1a8i s ASP 180 N 0.64 6.51 -1.38 0.00 2.15 -1.26 -4.68 116.67 118.65 1a8i s ASP 180 Ca 0.63 -1.69 -0.12 0.00 0.43 0.00 0.00 52.55 51.80 1a8i s ASP 180 Cb -0.42 -2.45 0.09 0.00 -0.30 0.00 0.00 42.92 39.85 1a8i s ASP 180 CO 0.39 -1.25 2.10 -0.67 -0.17 0.00 0.00 175.17 175.56 1a8i n ASP 181 N 7.39 4.62 0.15 -0.34 2.03 -1.26 -3.80 116.55 125.33 1a8i n ASP 181 Ca 0.21 -2.96 0.12 0.00 0.52 0.00 0.00 54.79 52.69 1a8i n ASP 181 Cb 0.49 -1.57 0.52 0.00 -0.72 0.00 0.00 41.12 39.84 1a8i n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1a8i h TRP 182 N 5.83 0.00 -0.43 -0.67 5.08 -1.93 -2.59 115.95 121.24 1a8i h TRP 182 Ca 0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.47 1a8i h TRP 182 Cb 0.62 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.78 1a8i h TRP 182 CO 1.38 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 179.82 1a8i n LEU 183 N -2.31 3.45 -0.18 0.11 4.77 -1.26 -4.59 117.00 116.98 1a8i n LEU 183 Ca 0.02 -1.52 -0.00 0.00 -0.03 0.00 0.00 56.01 54.47 1a8i n LEU 183 Cb 0.22 -0.28 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1a8i n LEU 183 CO 0.19 0.76 0.90 -0.09 -1.33 0.00 0.00 177.39 177.83 1a8i h ARG 184 N 4.35 0.22 -0.63 3.23 2.43 -1.86 0.24 114.38 122.35 1a8i h ARG 184 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1a8i h ARG 184 Cb 0.96 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1a8i h ARG 184 CO 0.00 0.14 0.00 0.66 -1.51 0.00 0.00 179.97 179.26 1a8i n TYR 185 N -5.15 1.17 0.00 2.20 4.01 -1.26 -5.05 117.16 113.08 1a8i n TYR 185 Ca 0.08 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 1a8i n TYR 185 Cb 0.30 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1a8i n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a8i n GLY 186 N 1.13 -0.63 2.93 2.72 0.00 0.07 -4.93 105.19 106.49 1a8i n GLY 186 Ca 0.22 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1a8i n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a8i s ASN 187 N -2.87 4.06 0.00 1.61 2.47 -1.26 -4.83 114.94 114.12 1a8i s ASN 187 Ca 0.00 -1.41 0.26 0.00 0.42 0.00 0.00 52.86 52.12 1a8i s ASN 187 Cb 0.00 -1.23 1.11 0.00 -1.45 0.00 0.00 41.25 39.68 1a8i s ASN 187 CO 0.00 -0.28 1.82 -0.81 -3.72 0.00 0.00 177.10 174.11 1a8i n PRO 188 N 4.61 0.03 0.04 0.43 -0.04 -1.26 -3.75 135.00 135.06 1a8i n PRO 188 Ca -0.08 0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.22 1a8i n PRO 188 Cb 0.43 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 1a8i n PRO 188 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1a8i h TRP 189 N 0.00 0.57 -4.34 0.54 4.06 -1.95 -3.47 115.95 111.36 1a8i h TRP 189 Ca 0.00 -0.42 -0.50 0.00 2.06 0.00 0.00 58.89 60.03 1a8i h TRP 189 Cb 0.42 -0.02 0.09 0.00 -1.00 0.00 0.00 29.16 28.65 1a8i h TRP 189 CO 0.00 1.58 0.37 -1.83 -3.56 0.00 0.00 178.44 175.00 1a8i s GLU 190 N -2.51 2.80 -0.17 0.49 -1.05 -1.25 -4.50 118.70 112.50 1a8i s GLU 190 Ca -0.18 0.78 0.01 0.00 -0.15 0.00 0.00 54.97 55.43 1a8i s GLU 190 Cb 0.04 -1.99 0.03 0.00 -0.44 0.00 0.00 34.13 31.78 1a8i s GLU 190 CO 0.81 -1.15 -0.13 0.21 0.95 0.00 0.00 175.26 175.94 1a8i s LYS 191 N -5.13 2.27 0.28 -4.83 2.47 -0.18 -4.95 119.74 109.67 1a8i s LYS 191 Ca 0.58 -0.72 -0.30 0.00 -1.56 0.00 0.00 55.97 53.97 1a8i s LYS 191 Cb -0.13 -2.30 -0.11 0.00 -1.46 0.00 0.00 37.83 33.83 1a8i s LYS 191 CO 0.54 -0.32 1.55 0.00 0.16 0.00 0.00 175.35 177.28 1a8i s ALA 192 N 1.42 3.71 -0.56 3.13 0.00 -1.26 -1.19 121.76 126.99 1a8i s ALA 192 Ca 0.02 1.51 0.07 0.00 0.00 0.00 0.00 51.96 53.55 1a8i s ALA 192 Cb -0.14 -3.62 0.25 0.00 0.00 0.00 0.00 23.12 19.61 1a8i s ALA 192 CO -0.10 -0.92 0.69 0.54 0.00 0.00 0.00 175.76 175.97 1a8i n ARG 193 N 2.14 2.03 0.23 0.00 5.12 -0.33 -4.92 116.66 120.93 1a8i n ARG 193 Ca 0.07 -4.26 0.06 0.00 -1.93 0.00 0.00 57.85 51.79 1a8i n ARG 193 Cb 0.38 -1.96 0.53 0.00 -1.16 0.00 0.00 32.46 30.25 1a8i n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1a8i h PRO 194 N 4.06 0.00 0.00 5.56 0.13 -1.94 -1.20 132.00 138.62 1a8i h PRO 194 Ca 0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1a8i h PRO 194 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1a8i h PRO 194 CO 0.73 0.18 -0.01 1.05 -0.23 0.00 0.00 178.00 179.72 1a8i h GLU 195 N 0.00 0.00 -0.35 0.86 9.09 -1.95 -2.11 114.58 120.12 1a8i h GLU 195 Ca -0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 1a8i h GLU 195 Cb 0.34 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.40 1a8i h GLU 195 CO 0.02 0.01 0.02 1.19 0.05 0.00 0.00 179.01 180.31 1a8i n PHE 196 N -3.16 1.21 -1.98 2.06 3.72 -0.45 -5.01 117.46 113.84 1a8i n PHE 196 Ca -0.02 -1.07 -0.40 0.00 -0.05 0.00 0.00 57.45 55.92 1a8i n PHE 196 Cb 0.16 -0.41 -0.00 0.00 -0.94 0.00 0.00 39.48 38.29 1a8i n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1a8i s THR 197 N -2.94 2.44 0.12 4.37 2.01 -0.80 -4.64 115.64 116.21 1a8i s THR 197 Ca 0.45 0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.89 1a8i s THR 197 Cb 0.37 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1a8i s THR 197 CO 0.08 0.07 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.23 1a8i s LEU 198 N -2.34 2.50 0.13 4.42 1.43 -0.58 -4.93 118.68 119.30 1a8i s LEU 198 Ca 0.56 -0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1a8i s LEU 198 Cb -0.41 -0.22 -0.06 0.00 0.03 0.00 0.00 46.19 45.53 1a8i s LEU 198 CO 0.53 -0.38 0.48 -2.16 0.23 0.00 0.00 176.35 175.06 1a8i s PRO 199 N -3.61 3.86 -0.04 1.29 0.04 -1.26 0.28 135.00 135.56 1a8i s PRO 199 Ca 0.13 0.33 0.04 0.00 0.04 0.00 0.00 61.00 61.53 1a8i s PRO 199 Cb 0.03 -2.93 -0.00 0.00 0.04 0.00 0.00 34.50 31.63 1a8i s PRO 199 CO -0.02 0.50 -0.14 0.08 0.04 0.00 0.00 177.00 177.46 1a8i s VAL 200 N -1.47 1.19 0.06 -0.36 1.01 -0.10 -4.85 120.40 115.89 1a8i s VAL 200 Ca 0.37 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1a8i s VAL 200 Cb -0.14 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1a8i s VAL 200 CO 0.19 0.35 0.08 -1.00 0.00 0.00 0.00 175.10 174.72 1a8i s HIS 201 N 0.09 3.21 0.05 5.22 3.76 -1.26 -0.38 115.29 125.98 1a8i s HIS 201 Ca -0.03 0.11 -0.02 0.00 -0.15 0.00 0.00 55.06 54.96 1a8i s HIS 201 Cb -0.10 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1a8i s HIS 201 CO 0.01 0.53 -0.01 -0.06 -0.85 0.00 0.00 174.74 174.36 1a8i s PHE 202 N -1.34 0.46 0.00 1.40 0.08 0.04 -4.95 117.98 113.68 1a8i s PHE 202 Ca 0.28 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.35 1a8i s PHE 202 Cb -0.12 -0.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.99 1a8i s PHE 202 CO 0.20 -0.38 0.00 0.66 -0.10 0.00 0.00 175.22 175.60 1a8i n TYR 203 N 0.19 0.00 -4.29 0.36 4.01 0.33 -1.16 117.16 116.61 1a8i n TYR 203 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1a8i n TYR 203 Cb 0.61 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 1a8i n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a8i n GLY 204 N 0.00 -0.92 3.58 2.72 0.00 -1.22 -4.60 105.19 104.75 1a8i n GLY 204 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 1a8i n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a8i s ARG 205 N 0.00 1.46 -0.16 1.61 1.70 -0.51 -4.87 118.95 118.19 1a8i s ARG 205 Ca 0.00 -0.71 -0.07 0.00 -0.47 0.00 0.00 55.73 54.48 1a8i s ARG 205 Cb 0.00 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 1a8i s ARG 205 CO 0.00 -0.65 0.07 0.08 -1.08 0.00 0.00 175.30 173.72 1a8i s VAL 206 N -3.83 4.89 -0.21 4.99 1.01 -1.26 -1.30 120.40 124.69 1a8i s VAL 206 Ca 0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 1a8i s VAL 206 Cb -0.03 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1a8i s VAL 206 CO -0.05 0.50 0.02 -1.61 0.00 0.00 0.00 175.10 173.97 1a8i s GLU 207 N -0.01 3.66 -0.39 2.72 2.02 0.10 -4.95 118.70 121.85 1a8i s GLU 207 Ca 0.07 -0.49 -0.16 0.00 0.02 0.00 0.00 54.97 54.40 1a8i s GLU 207 Cb -0.12 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 30.97 1a8i s GLU 207 CO 0.01 -0.01 0.41 -1.01 0.02 0.00 0.00 175.26 174.67 1a8i s HIS 208 N 1.08 3.19 0.00 1.61 3.76 -1.26 -0.72 115.29 122.95 1a8i s HIS 208 Ca 0.03 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1a8i s HIS 208 Cb -0.14 -2.80 0.00 0.00 1.11 0.00 0.00 32.58 30.74 1a8i s HIS 208 CO 0.02 -0.61 0.00 0.25 -0.85 0.00 0.00 174.74 173.55 1a8i n THR 209 N 5.36 0.00 0.98 1.30 -2.24 0.23 -4.99 114.28 114.91 1a8i n THR 209 Ca -0.08 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 1a8i n THR 209 Cb 0.48 -0.06 0.29 0.00 -2.10 0.00 0.00 70.33 68.94 1a8i n THR 209 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1a8i n SER 210 N 0.00 2.47 -0.85 3.42 2.88 -1.26 -3.22 113.62 117.06 1a8i n SER 210 Ca 0.00 -1.82 0.09 0.00 -1.33 0.00 0.00 58.87 55.81 1a8i n SER 210 Cb 0.00 -0.09 0.16 0.00 -0.75 0.00 0.00 64.21 63.53 1a8i n SER 210 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a8i n GLN 211 N 0.88 2.16 0.00 -1.46 1.13 -1.26 -5.08 117.38 113.75 1a8i n GLN 211 Ca 0.17 -1.98 0.00 0.00 -1.94 0.00 0.00 57.00 53.25 1a8i n GLN 211 Cb 0.48 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1a8i n GLN 211 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a8i n GLY 212 N 1.03 0.06 3.89 1.08 0.00 -1.20 -4.98 105.19 105.07 1a8i n GLY 212 Ca 0.14 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1a8i n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8i s ALA 213 N -2.00 3.48 -0.04 4.61 0.00 -1.26 -0.61 121.76 125.94 1a8i s ALA 213 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1a8i s ALA 213 Cb 0.00 -2.52 0.03 0.00 0.00 0.00 0.00 23.12 20.63 1a8i s ALA 213 CO 0.00 0.12 0.06 0.21 0.00 0.00 0.00 175.76 176.15 1a8i s LYS 214 N -3.67 -0.07 -0.47 0.00 2.20 0.10 -4.89 119.74 112.94 1a8i s LYS 214 Ca 0.48 0.36 -0.22 0.00 -0.36 0.00 0.00 55.97 56.24 1a8i s LYS 214 Cb -0.10 -0.50 0.03 0.00 -1.51 0.00 0.00 37.83 35.75 1a8i s LYS 214 CO 0.30 -0.32 0.73 -0.46 -0.36 0.00 0.00 175.35 175.24 1a8i s TRP 215 N 2.10 2.99 0.35 4.03 -0.00 -1.26 -0.72 118.94 126.42 1a8i s TRP 215 Ca 0.04 -0.09 0.04 0.00 -0.00 0.00 0.00 56.10 56.09 1a8i s TRP 215 Cb -0.12 -3.59 -0.06 0.00 -0.00 0.00 0.00 33.47 29.69 1a8i s TRP 215 CO -0.03 -1.02 0.06 0.14 -0.00 0.00 0.00 176.95 176.10 1a8i s VAL 216 N 3.10 1.24 -1.60 5.86 -7.23 -0.42 -4.81 120.40 116.53 1a8i s VAL 216 Ca 0.24 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1a8i s VAL 216 Cb -0.14 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1a8i s VAL 216 CO 0.19 0.00 0.44 0.47 -0.31 0.00 0.00 175.10 175.88 1a8i n ASP 217 N -0.78 -6.04 -4.90 4.85 8.00 -1.26 -1.42 116.55 115.00 1a8i n ASP 217 Ca -0.03 -0.21 -0.28 0.00 0.71 0.00 0.00 54.79 54.98 1a8i n ASP 217 Cb 0.67 -4.91 0.03 0.00 -0.02 0.00 0.00 41.12 36.89 1a8i n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a8i s THR 218 N -3.14 3.93 -0.10 -3.53 -4.23 -1.26 -3.45 115.64 103.87 1a8i s THR 218 Ca 0.22 0.20 -0.09 0.00 -1.18 0.00 0.00 61.69 60.84 1a8i s THR 218 Cb -0.10 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 1a8i s THR 218 CO 0.27 -0.62 0.19 -1.10 -0.54 0.00 0.00 174.62 172.82 1a8i s GLN 219 N -5.03 3.59 -0.09 3.99 -0.21 -0.31 -4.90 119.66 116.69 1a8i s GLN 219 Ca 0.54 -0.03 -0.03 0.00 0.02 0.00 0.00 55.36 55.86 1a8i s GLN 219 Cb -0.11 -3.21 -0.03 0.00 1.00 0.00 0.00 33.01 30.65 1a8i s GLN 219 CO 0.47 0.72 0.02 0.08 -2.12 0.00 0.00 175.29 174.47 1a8i s VAL 220 N -0.92 4.49 -0.04 1.09 1.01 -1.26 -0.78 120.40 124.00 1a8i s VAL 220 Ca 0.16 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1a8i s VAL 220 Cb -0.13 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1a8i s VAL 220 CO 0.05 0.60 -0.20 -0.69 0.00 0.00 0.00 175.10 174.86 1a8i s VAL 221 N -0.87 1.65 0.27 2.92 1.01 0.48 -4.35 120.40 121.53 1a8i s VAL 221 Ca 0.13 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1a8i s VAL 221 Cb -0.11 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.78 1a8i s VAL 221 CO 0.02 0.47 0.74 -0.76 0.00 0.00 0.00 175.10 175.57 1a8i s LEU 222 N -0.21 4.21 -0.30 3.92 1.43 0.28 -0.92 118.68 127.08 1a8i s LEU 222 Ca 0.01 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.46 1a8i s LEU 222 Cb -0.11 -3.84 0.06 0.00 0.03 0.00 0.00 46.19 42.33 1a8i s LEU 222 CO 0.01 -0.09 0.00 0.00 0.23 0.00 0.00 176.35 176.51 1a8i s ALA 223 N -1.75 2.81 -0.19 4.21 0.00 0.14 -1.26 121.76 125.72 1a8i s ALA 223 Ca 0.49 -1.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 1a8i s ALA 223 Cb -0.14 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 1a8i s ALA 223 CO 0.19 -1.31 0.23 1.41 0.00 0.00 0.00 175.76 176.28 1a8i s MET 224 N 1.22 4.19 0.20 0.00 0.00 0.54 -1.53 119.30 123.92 1a8i s MET 224 Ca -0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 55.69 55.47 1a8i s MET 224 Cb -0.20 -3.46 -0.07 0.00 0.00 0.00 0.00 34.83 31.10 1a8i s MET 224 CO -0.02 0.19 0.56 -1.25 0.00 0.00 0.00 175.02 174.49 1a8i s PRO 225 N 0.66 3.89 -0.15 4.11 0.04 -1.26 -0.52 135.00 141.77 1a8i s PRO 225 Ca 0.12 0.39 0.01 0.00 0.04 0.00 0.00 61.00 61.56 1a8i s PRO 225 Cb -0.13 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1a8i s PRO 225 CO 0.03 0.38 -0.16 0.71 0.04 0.00 0.00 177.00 178.00 1a8i s TYR 226 N -1.66 2.31 -0.18 0.56 1.51 -0.52 -1.18 117.35 118.18 1a8i s TYR 226 Ca 0.43 -1.30 -0.05 0.00 -1.01 0.00 0.00 57.07 55.14 1a8i s TYR 226 Cb -0.13 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1a8i s TYR 226 CO 0.20 -0.69 0.01 -0.51 -1.11 0.00 0.00 175.55 173.46 1a8i s ASP 227 N 1.38 5.10 -0.11 2.29 1.01 -0.34 -1.38 116.67 124.63 1a8i s ASP 227 Ca 0.04 -0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.23 1a8i s ASP 227 Cb -0.13 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 41.92 1a8i s ASP 227 CO -0.10 0.13 -0.16 -0.89 0.21 0.00 0.00 175.17 174.35 1a8i s THR 228 N 0.62 2.77 0.51 -1.27 2.01 0.94 -1.01 115.64 120.21 1a8i s THR 228 Ca 0.00 -0.77 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 1a8i s THR 228 Cb -0.14 -2.13 -0.07 0.00 0.01 0.00 0.00 72.50 70.17 1a8i s THR 228 CO 0.02 0.54 1.09 -2.16 -0.69 0.00 0.00 174.62 173.42 1a8i s PRO 229 N 0.24 3.58 -0.32 4.92 0.04 -1.26 -0.45 135.00 141.75 1a8i s PRO 229 Ca -0.11 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 1a8i s PRO 229 Cb -0.16 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.42 1a8i s PRO 229 CO 0.06 -0.64 0.11 0.08 0.04 0.00 0.00 177.00 176.65 1a8i s VAL 230 N -1.86 0.90 0.01 -0.36 1.01 -0.06 -4.86 120.40 115.18 1a8i s VAL 230 Ca 0.70 -1.49 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1a8i s VAL 230 Cb -0.20 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1a8i s VAL 230 CO 0.24 -0.70 0.66 -2.16 0.00 0.00 0.00 175.10 173.14 1a8i s PRO 231 N 1.52 4.39 0.78 2.72 0.04 -1.26 -0.98 135.00 142.20 1a8i s PRO 231 Ca 0.10 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1a8i s PRO 231 Cb -0.18 -3.36 0.06 0.00 0.04 0.00 0.00 34.50 31.06 1a8i s PRO 231 CO -0.23 0.31 1.11 0.20 0.04 0.00 0.00 177.00 178.43 1a8i s GLY 232 N -0.06 1.62 -0.69 0.56 0.00 -0.49 -4.73 107.32 103.53 1a8i s GLY 232 Ca 0.34 -0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.48 1a8i s GLY 232 CO 0.19 0.11 1.18 -0.47 0.00 0.00 0.00 173.10 174.11 1a8i s TYR 233 N -3.27 2.44 -1.40 1.90 5.04 -1.26 -4.21 117.35 116.59 1a8i s TYR 233 Ca 0.60 -0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 55.14 1a8i s TYR 233 Cb -0.13 -4.51 0.01 0.00 0.35 0.00 0.00 41.96 37.68 1a8i s TYR 233 CO 0.53 -1.88 0.10 0.54 -1.34 0.00 0.00 175.55 173.50 1a8i n ARG 234 N 8.79 -2.41 -0.00 4.97 5.12 -0.52 -4.83 116.66 127.78 1a8i n ARG 234 Ca 0.02 0.77 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 1a8i n ARG 234 Cb 0.48 -5.44 0.01 0.00 -1.16 0.00 0.00 32.46 26.35 1a8i n ARG 234 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1a8i n ASN 235 N -2.00 1.38 -1.36 0.55 2.04 -1.26 -4.90 115.26 109.71 1a8i n ASN 235 Ca -0.17 -1.34 -0.18 0.00 -0.44 0.00 0.00 54.58 52.45 1a8i n ASN 235 Cb 0.64 -0.01 -0.08 0.00 -2.53 0.00 0.00 39.78 37.80 1a8i n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1a8i n ASN 236 N -0.10 -5.37 -4.78 0.53 3.02 -1.26 0.25 115.26 107.55 1a8i n ASN 236 Ca 0.01 0.44 -0.39 0.00 -0.03 0.00 0.00 54.58 54.61 1a8i n ASN 236 Cb 0.10 -4.43 -0.06 0.00 -0.61 0.00 0.00 39.78 34.78 1a8i n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a8i s VAL 237 N -2.58 4.93 -0.22 2.41 1.01 -1.26 -4.80 120.40 119.88 1a8i s VAL 237 Ca 0.00 1.15 -0.04 0.00 0.00 0.00 0.00 61.98 63.09 1a8i s VAL 237 Cb 0.00 -3.88 0.07 0.00 0.00 0.00 0.00 36.38 32.57 1a8i s VAL 237 CO 0.00 0.45 0.09 -0.69 0.00 0.00 0.00 175.10 174.95 1a8i s VAL 238 N -0.36 0.19 0.37 2.92 1.01 -1.26 -1.40 120.40 121.87 1a8i s VAL 238 Ca 0.29 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1a8i s VAL 238 Cb -0.18 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.36 1a8i s VAL 238 CO 0.16 -0.41 0.51 0.59 0.00 0.00 0.00 175.10 175.95 1a8i n ASN 239 N 5.16 0.64 -4.18 3.32 3.02 -0.15 -4.58 115.26 118.49 1a8i n ASN 239 Ca -0.07 -1.55 -0.25 0.00 -0.03 0.00 0.00 54.58 52.68 1a8i n ASN 239 Cb 0.46 -0.33 -0.15 0.00 -0.61 0.00 0.00 39.78 39.14 1a8i n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1a8i s THR 240 N -1.49 1.44 -0.22 3.41 2.01 -1.26 -0.88 115.64 118.66 1a8i s THR 240 Ca 0.33 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1a8i s THR 240 Cb -0.02 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1a8i s THR 240 CO 0.22 0.35 0.04 -0.32 -0.69 0.00 0.00 174.62 174.23 1a8i s MET 241 N -0.56 3.69 -0.20 4.92 1.75 0.40 -2.11 119.30 127.18 1a8i s MET 241 Ca 0.07 -0.48 -0.02 0.00 -1.25 0.00 0.00 55.69 54.01 1a8i s MET 241 Cb -0.07 -3.20 -0.00 0.00 2.84 0.00 0.00 34.83 34.39 1a8i s MET 241 CO -0.00 -0.03 -0.09 0.50 -0.65 0.00 0.00 175.02 174.74 1a8i s ARG 242 N 1.16 3.26 -0.10 4.11 3.52 0.28 -0.04 118.95 131.15 1a8i s ARG 242 Ca 0.04 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1a8i s ARG 242 Cb -0.14 -2.86 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1a8i s ARG 242 CO 0.02 -0.18 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.67 1a8i s LEU 243 N 1.36 2.59 -0.04 -0.88 1.43 -0.48 -1.97 118.68 120.70 1a8i s LEU 243 Ca 0.05 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 1a8i s LEU 243 Cb -0.14 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1a8i s LEU 243 CO -0.06 0.22 0.34 0.26 0.23 0.00 0.00 176.35 177.34 1a8i s TRP 244 N 0.03 3.69 -0.12 0.29 0.52 -0.13 -1.44 118.94 121.79 1a8i s TRP 244 Ca -0.06 0.86 0.02 0.00 0.02 0.00 0.00 56.10 56.95 1a8i s TRP 244 Cb -0.15 -2.20 -0.00 0.00 -1.15 0.00 0.00 33.47 29.97 1a8i s TRP 244 CO 0.05 0.65 -0.20 0.45 0.02 0.00 0.00 176.95 177.92 1a8i s SER 245 N -1.00 3.43 0.07 2.95 0.15 0.32 -1.04 113.70 118.60 1a8i s SER 245 Ca 0.21 -0.48 -0.30 0.00 0.70 0.00 0.00 55.95 56.08 1a8i s SER 245 Cb -0.15 -1.49 -0.05 0.00 -1.71 0.00 0.00 66.02 62.62 1a8i s SER 245 CO 0.11 0.15 1.01 0.00 1.20 0.00 0.00 173.24 175.70 1a8i s ALA 246 N 0.41 3.24 -0.01 5.45 0.00 -1.26 -0.34 121.76 129.25 1a8i s ALA 246 Ca -0.15 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1a8i s ALA 246 Cb -0.17 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1a8i s ALA 246 CO 0.07 -0.16 -0.08 0.15 0.00 0.00 0.00 175.76 175.74 1a8i s LYS 247 N 0.43 0.68 0.51 0.00 -0.14 -0.39 -4.55 119.74 116.28 1a8i s LYS 247 Ca 0.50 -0.28 -0.20 0.00 -1.36 0.00 0.00 55.97 54.63 1a8i s LYS 247 Cb -0.24 -0.66 -0.07 0.00 -1.68 0.00 0.00 37.83 35.18 1a8i s LYS 247 CO 0.30 0.16 1.07 0.00 -0.76 0.00 0.00 175.35 176.12 1a8i s ALA 248 N -0.13 2.80 0.80 5.17 0.00 -1.26 -0.55 121.76 128.59 1a8i s ALA 248 Ca 0.02 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 1a8i s ALA 248 Cb -0.04 -3.30 0.08 0.00 0.00 0.00 0.00 23.12 19.86 1a8i s ALA 248 CO -0.00 -0.49 1.14 -1.25 0.00 0.00 0.00 175.76 175.15 1a8i s PRO 249 N -3.25 1.85 -0.89 0.00 0.04 -1.26 -4.74 135.00 126.76 1a8i s PRO 249 Ca 0.69 1.44 -0.23 0.00 0.04 0.00 0.00 61.00 62.94 1a8i s PRO 249 Cb -0.19 -1.83 -0.16 0.00 0.04 0.00 0.00 34.50 32.36 1a8i s PRO 249 CO 0.23 -1.99 1.91 0.09 0.04 0.00 0.00 177.00 177.28 1a8i n ASN 250 N -3.50 2.52 0.81 6.66 4.13 -1.26 -5.10 115.26 119.53 1a8i n ASN 250 Ca 0.11 -2.66 0.00 0.00 1.68 0.00 0.00 54.58 53.71 1a8i n ASN 250 Cb 0.52 -1.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.41 1a8i n ASN 250 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a8i n GLY 261 N 5.19 0.00 0.10 7.41 0.00 -1.26 -5.24 105.19 111.39 1a8i n GLY 261 Ca 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 1a8i n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1a8i h TYR 262 N 0.00 -0.14 0.05 1.61 3.20 -2.06 -1.05 116.97 118.59 1a8i h TYR 262 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1a8i h TYR 262 Cb 0.00 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1a8i h TYR 262 CO 0.00 -0.01 -0.08 0.82 -1.64 0.00 0.00 178.16 177.25 1a8i h ILE 263 N -0.23 0.80 -0.51 1.81 1.08 -2.06 -2.14 117.51 116.26 1a8i h ILE 263 Ca -0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 1a8i h ILE 263 Cb 0.19 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 1a8i h ILE 263 CO 0.02 0.00 0.34 -0.61 -0.69 0.00 0.00 178.15 177.21 1a8i h GLN 264 N -0.17 0.46 -0.21 2.37 5.75 -1.98 -0.35 115.11 120.98 1a8i h GLN 264 Ca 0.01 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1a8i h GLN 264 Cb 0.18 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1a8i h GLN 264 CO -0.04 0.30 -0.14 0.00 -2.65 0.00 0.00 178.83 176.30 1a8i h ALA 265 N 1.72 1.37 -0.14 3.38 0.00 -0.57 -0.39 119.26 124.64 1a8i h ALA 265 Ca 0.22 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1a8i h ALA 265 Cb 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1a8i h ALA 265 CO -0.06 0.43 -0.56 0.28 0.00 0.00 0.00 179.25 179.34 1a8i h VAL 266 N 0.32 1.33 -0.15 0.00 2.07 -0.56 -3.05 116.25 116.21 1a8i h VAL 266 Ca 0.06 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 1a8i h VAL 266 Cb 0.45 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1a8i h VAL 266 CO 0.03 0.56 -0.08 -0.07 0.02 0.00 0.00 177.57 178.03 1a8i h LEU 267 N 0.29 0.21 0.00 2.57 3.38 -0.92 -2.61 115.31 118.22 1a8i h LEU 267 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1a8i h LEU 267 Cb 1.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1a8i h LEU 267 CO 0.12 0.32 0.00 0.47 0.09 0.00 0.00 178.44 179.44 1a8i n ASP 268 N -4.33 0.00 0.25 -0.43 8.00 -0.18 -2.18 116.55 117.68 1a8i n ASP 268 Ca -0.01 0.03 0.17 0.00 0.71 0.00 0.00 54.79 55.70 1a8i n ASP 268 Cb 0.22 -0.30 0.88 0.00 -0.02 0.00 0.00 41.12 41.91 1a8i n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1a8i h ARG 269 N 0.00 0.00 -0.50 -1.24 3.08 -1.43 -2.01 114.38 112.28 1a8i h ARG 269 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1a8i h ARG 269 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1a8i h ARG 269 CO 0.00 0.00 0.34 -0.91 -1.07 0.00 0.00 179.97 178.33 1a8i h ASN 270 N 0.00 0.40 -0.52 7.04 2.35 -1.66 -2.45 115.58 120.74 1a8i h ASN 270 Ca 0.05 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1a8i h ASN 270 Cb 0.33 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1a8i h ASN 270 CO -0.00 0.27 0.30 -0.07 -1.65 0.00 0.00 177.43 176.27 1a8i h LEU 271 N 0.46 0.47 -0.54 1.61 3.38 -1.61 0.17 115.31 119.25 1a8i h LEU 271 Ca 0.22 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 1a8i h LEU 271 Cb 0.27 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1a8i h LEU 271 CO -0.06 0.33 -0.68 0.00 0.09 0.00 0.00 178.44 178.12 1a8i h ALA 272 N 1.25 0.74 0.00 1.53 0.00 -1.68 -3.08 119.26 118.02 1a8i h ALA 272 Ca 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1a8i h ALA 272 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a8i h ALA 272 CO -0.11 0.78 0.00 0.93 0.00 0.00 0.00 179.25 180.84 1a8i h GLU 273 N 0.17 0.00 0.00 0.00 5.08 -0.95 -2.69 114.58 116.19 1a8i h GLU 273 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1a8i h GLU 273 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1a8i h GLU 273 CO 0.11 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.21 1a8i h ASN 274 N 0.00 0.00 -0.97 1.42 2.35 -0.88 -3.03 115.58 114.47 1a8i h ASN 274 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1a8i h ASN 274 Cb 0.56 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.86 1a8i h ASN 274 CO 0.00 0.00 0.62 0.40 -1.65 0.00 0.00 177.43 176.80 1a8i h ILE 275 N 0.00 1.01 -0.59 2.81 2.04 -1.65 -2.00 117.51 119.13 1a8i h ILE 275 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1a8i h ILE 275 Cb 0.29 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1a8i h ILE 275 CO 0.00 0.19 0.00 -1.54 0.00 0.00 0.00 178.15 176.80 1a8i n SER 276 N -4.58 5.29 -0.06 1.72 3.41 -1.14 -4.66 113.62 113.60 1a8i n SER 276 Ca 0.16 -2.73 -0.13 0.00 -0.26 0.00 0.00 58.87 55.91 1a8i n SER 276 Cb 0.25 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 1a8i n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1a8i h ARG 277 N 3.96 0.38 -2.78 4.33 9.65 -1.47 -1.64 114.38 126.81 1a8i h ARG 277 Ca 0.00 -0.19 -0.12 0.00 -1.10 0.00 0.00 59.98 58.57 1a8i h ARG 277 Cb 1.76 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 30.11 1a8i h ARG 277 CO 0.39 0.74 -0.23 0.54 2.80 0.00 0.00 179.97 184.21 1a8i s VAL 278 N -4.38 0.01 0.12 0.20 0.11 -1.26 -1.00 120.40 114.22 1a8i s VAL 278 Ca -0.14 -0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 58.48 1a8i s VAL 278 Cb 0.06 -0.60 -0.08 0.00 -1.53 0.00 0.00 36.38 34.22 1a8i s VAL 278 CO 0.76 -0.07 1.42 -0.22 -3.33 0.00 0.00 175.10 173.66 1a8i s LEU 279 N -0.26 4.37 -0.01 2.54 2.96 -0.80 -4.99 118.68 122.48 1a8i s LEU 279 Ca -0.04 2.38 -0.30 0.00 -0.22 0.00 0.00 54.13 55.95 1a8i s LEU 279 Cb -0.03 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 1a8i s LEU 279 CO 0.02 -0.69 1.55 -0.31 -1.32 0.00 0.00 176.35 175.60 1a8i s TYR 280 N 1.13 2.42 -0.09 5.38 1.51 -1.26 -4.81 117.35 121.63 1a8i s TYR 280 Ca 0.66 0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 57.19 1a8i s TYR 280 Cb -0.38 -3.82 0.08 0.00 -0.11 0.00 0.00 41.96 37.72 1a8i s TYR 280 CO 0.30 -3.28 1.76 -0.35 -1.11 0.00 0.00 175.55 172.87 1a8i n PRO 281 N 6.14 1.24 -3.77 -1.71 -0.04 -1.26 -4.92 135.00 130.69 1a8i n PRO 281 Ca 0.15 -0.50 -0.34 0.00 -0.04 0.00 0.00 63.50 62.77 1a8i n PRO 281 Cb 0.43 -1.20 -0.05 0.00 -0.04 0.00 0.00 33.50 32.64 1a8i n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1a8i s ASN 282 N 1.19 6.48 -0.20 3.54 0.01 -1.26 -4.43 114.94 120.28 1a8i s ASN 282 Ca 0.10 0.54 -0.00 0.00 -0.71 0.00 0.00 52.86 52.78 1a8i s ASN 282 Cb 0.08 -2.08 0.05 0.00 0.41 0.00 0.00 41.25 39.71 1a8i s ASN 282 CO 0.00 0.24 -0.05 -0.62 -1.51 0.00 0.00 177.10 175.17 1a8i s ASP 283 N -1.79 3.27 -1.12 -1.22 -1.08 -1.26 -4.75 116.67 108.72 1a8i s ASP 283 Ca 0.29 -0.89 -0.07 0.00 -0.52 0.00 0.00 52.55 51.36 1a8i s ASP 283 Cb -0.13 -1.00 0.01 0.00 -1.46 0.00 0.00 42.92 40.34 1a8i s ASP 283 CO 0.17 -0.21 0.87 0.59 0.52 0.00 0.00 175.17 177.11 1a8i n ASN 284 N 4.81 -5.48 -3.65 -0.34 4.13 -1.26 -4.99 115.26 108.47 1a8i n ASN 284 Ca -0.12 -0.40 -0.06 0.00 1.68 0.00 0.00 54.58 55.69 1a8i n ASN 284 Cb 0.46 -4.12 -0.07 0.00 -1.54 0.00 0.00 39.78 34.51 1a8i n ASN 284 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1a8i s PHE 285 N -3.22 -1.05 -0.18 3.10 5.36 -1.26 -4.21 117.98 116.52 1a8i s PHE 285 Ca 0.43 1.97 -0.22 0.00 -0.96 0.00 0.00 56.93 58.15 1a8i s PHE 285 Cb -0.19 0.58 -0.02 0.00 -0.34 0.00 0.00 43.02 43.05 1a8i s PHE 285 CO 0.53 -0.54 0.69 0.12 -1.46 0.00 0.00 175.22 174.56 1a8i s PHE 286 N 2.20 3.40 -0.28 10.12 5.36 -0.57 -4.83 117.98 133.38 1a8i s PHE 286 Ca -0.07 1.04 -0.03 0.00 -0.96 0.00 0.00 56.93 56.91 1a8i s PHE 286 Cb -0.09 -2.86 0.03 0.00 -0.34 0.00 0.00 43.02 39.76 1a8i s PHE 286 CO -0.17 -0.18 -0.00 -2.00 -1.46 0.00 0.00 175.22 171.41 1a8i s GLU 287 N 1.91 2.69 -0.38 10.12 2.12 -1.26 -4.95 118.70 128.95 1a8i s GLU 287 Ca 0.32 -1.10 -0.07 0.00 0.36 0.00 0.00 54.97 54.49 1a8i s GLU 287 Cb -0.16 -3.16 -0.22 0.00 0.26 0.00 0.00 34.13 30.85 1a8i s GLU 287 CO 0.11 -0.52 3.46 0.41 -0.54 0.00 0.00 175.26 178.18 1a8i n GLY 288 N 4.69 3.32 3.77 -1.50 0.00 -1.26 -4.95 105.19 109.26 1a8i n GLY 288 Ca -0.14 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 1a8i n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a8i s LYS 289 N 1.19 4.53 0.25 1.61 -0.14 -1.26 -4.95 119.74 120.98 1a8i s LYS 289 Ca 0.67 1.54 -0.04 0.00 -1.36 0.00 0.00 55.97 56.79 1a8i s LYS 289 Cb 0.29 -2.92 0.39 0.00 -1.68 0.00 0.00 37.83 33.91 1a8i s LYS 289 CO -0.02 0.19 1.84 1.49 -0.76 0.00 0.00 175.35 178.09 1a8i h GLU 290 N 3.34 0.93 -0.83 1.68 4.81 -2.00 -1.67 114.58 120.83 1a8i h GLU 290 Ca -0.47 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1a8i h GLU 290 Cb 1.21 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 1a8i h GLU 290 CO 0.65 0.62 0.55 1.25 -0.73 0.00 0.00 179.01 181.35 1a8i h LEU 291 N 0.96 0.93 -0.71 1.64 5.85 -1.99 -1.24 115.31 120.75 1a8i h LEU 291 Ca 0.41 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 1a8i h LEU 291 Cb 0.27 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1a8i h LEU 291 CO -0.21 0.66 0.25 -0.09 -0.34 0.00 0.00 178.44 178.71 1a8i h ARG 292 N 1.09 1.09 -0.93 1.25 9.65 -1.68 -0.86 114.38 123.99 1a8i h ARG 292 Ca 0.31 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1a8i h ARG 292 Cb -0.07 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.30 1a8i h ARG 292 CO -0.08 0.92 0.55 1.25 2.80 0.00 0.00 179.97 185.42 1a8i h LEU 293 N 1.03 1.12 -0.67 3.80 5.85 -1.11 -0.47 115.31 124.86 1a8i h LEU 293 Ca 0.23 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1a8i h LEU 293 Cb 0.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1a8i h LEU 293 CO -0.01 0.86 0.44 0.11 -0.34 0.00 0.00 178.44 179.50 1a8i h LYS 294 N 1.28 0.87 -0.67 1.25 1.57 -0.97 -1.13 116.57 118.77 1a8i h LYS 294 Ca 0.33 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1a8i h LYS 294 Cb -0.05 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 1a8i h LYS 294 CO -0.06 0.58 0.44 1.96 -0.57 0.00 0.00 179.45 181.79 1a8i h GLN 295 N 0.90 0.85 0.10 3.15 4.20 -0.39 -1.40 115.11 122.52 1a8i h GLN 295 Ca 0.25 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1a8i h GLN 295 Cb -0.09 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.49 1a8i h GLN 295 CO -0.06 0.56 -0.05 0.93 -0.67 0.00 0.00 178.83 179.55 1a8i h GLU 296 N 0.88 -0.13 -0.44 1.46 5.08 -0.65 -2.16 114.58 118.61 1a8i h GLU 296 Ca 0.25 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1a8i h GLU 296 Cb -0.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1a8i h GLU 296 CO -0.07 -0.01 -0.05 -0.92 -1.00 0.00 0.00 179.01 176.96 1a8i h TYR 297 N -0.22 0.81 -0.39 4.33 3.20 -1.17 -1.69 116.97 121.85 1a8i h TYR 297 Ca -0.01 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.76 1a8i h TYR 297 Cb 0.18 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1a8i h TYR 297 CO -0.04 0.78 0.18 0.35 -1.64 0.00 0.00 178.16 177.79 1a8i h PHE 298 N 0.70 0.32 -0.13 -3.82 3.57 -1.09 0.23 116.94 116.73 1a8i h PHE 298 Ca 0.13 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1a8i h PHE 298 Cb 0.50 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1a8i h PHE 298 CO 0.03 0.16 0.02 0.28 -2.23 0.00 0.00 178.31 176.56 1a8i h VAL 299 N 0.37 1.22 -0.25 1.41 2.07 -1.16 -2.44 116.25 117.47 1a8i h VAL 299 Ca 0.17 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1a8i h VAL 299 Cb 0.10 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1a8i h VAL 299 CO -0.13 0.21 0.13 0.58 0.02 0.00 0.00 177.57 178.37 1a8i h VAL 300 N -0.02 1.00 -0.09 2.57 2.07 -0.88 -1.36 116.25 119.55 1a8i h VAL 300 Ca 0.04 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1a8i h VAL 300 Cb 0.30 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1a8i h VAL 300 CO 0.00 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.63 1a8i h ALA 301 N 1.12 0.12 -0.51 1.67 0.00 -0.52 -0.14 119.26 121.01 1a8i h ALA 301 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1a8i h ALA 301 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1a8i h ALA 301 CO -0.06 -0.17 0.08 0.00 0.00 0.00 0.00 179.25 179.10 1a8i h ALA 302 N 0.70 0.67 -0.52 0.00 0.00 -1.42 -2.79 119.26 115.90 1a8i h ALA 302 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a8i h ALA 302 Cb 0.40 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1a8i h ALA 302 CO 0.01 0.41 0.31 1.15 0.00 0.00 0.00 179.25 181.13 1a8i h THR 303 N 0.72 1.16 0.00 0.00 2.02 -1.20 -2.65 112.91 112.96 1a8i h THR 303 Ca 0.15 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1a8i h THR 303 Cb 0.40 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1a8i h THR 303 CO 0.01 0.16 -0.25 -0.07 0.37 0.00 0.00 175.52 175.74 1a8i h LEU 304 N 0.70 0.00 -0.70 2.58 4.07 -0.97 -1.96 115.31 119.03 1a8i h LEU 304 Ca 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 1a8i h LEU 304 Cb -0.01 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 1a8i h LEU 304 CO -0.03 0.25 0.20 1.56 -1.08 0.00 0.00 178.44 179.34 1a8i h GLN 305 N 0.00 1.10 -0.62 1.13 4.20 -1.20 -1.24 115.11 118.48 1a8i h GLN 305 Ca -0.00 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.38 1a8i h GLN 305 Cb 0.60 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1a8i h GLN 305 CO 0.03 0.96 0.10 -0.44 -0.67 0.00 0.00 178.83 178.81 1a8i h ASP 306 N 1.04 0.99 -0.24 1.46 5.19 -1.19 -1.18 116.42 122.49 1a8i h ASP 306 Ca 0.22 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1a8i h ASP 306 Cb 0.33 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1a8i h ASP 306 CO -0.00 1.00 0.12 0.40 -3.12 0.00 0.00 179.24 177.63 1a8i h ILE 307 N 0.94 1.14 -0.53 0.35 2.04 -1.19 -0.56 117.51 119.71 1a8i h ILE 307 Ca 0.19 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1a8i h ILE 307 Cb 0.43 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1a8i h ILE 307 CO 0.01 0.14 0.02 0.40 0.00 0.00 0.00 178.15 178.72 1a8i h ILE 308 N 0.26 1.26 -0.57 -0.67 1.08 -1.12 -1.78 117.51 115.96 1a8i h ILE 308 Ca 0.08 -1.06 -0.04 0.00 -0.39 0.00 0.00 64.86 63.45 1a8i h ILE 308 Cb 0.12 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 1a8i h ILE 308 CO -0.01 0.38 0.22 -0.09 -0.69 0.00 0.00 178.15 177.96 1a8i h ARG 309 N 0.79 0.86 -0.54 2.37 2.43 -0.90 -1.81 114.38 117.59 1a8i h ARG 309 Ca 0.15 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1a8i h ARG 309 Cb 0.50 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1a8i h ARG 309 CO 0.02 0.75 0.04 0.00 -1.51 0.00 0.00 179.97 179.27 1a8i h ARG 310 N 0.79 0.88 -0.51 0.20 3.08 -1.05 -2.43 114.38 115.33 1a8i h ARG 310 Ca 0.19 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1a8i h ARG 310 Cb 0.22 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1a8i h ARG 310 CO -0.01 0.85 0.19 0.35 -1.07 0.00 0.00 179.97 180.27 1a8i h PHE 311 N 0.82 0.80 0.00 3.04 3.57 -0.92 -2.87 116.94 121.39 1a8i h PHE 311 Ca 0.16 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1a8i h PHE 311 Cb 0.43 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1a8i h PHE 311 CO 0.03 0.67 -0.20 0.87 -2.23 0.00 0.00 178.31 177.45 1a8i h LYS 312 N 0.69 0.00 -0.01 1.11 1.57 -1.05 -2.45 116.57 116.43 1a8i h LYS 312 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1a8i h LYS 312 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1a8i h LYS 312 CO -0.01 0.20 -0.01 0.43 -0.57 0.00 0.00 179.45 179.50 1a8i n SER 313 N -3.70 1.44 0.00 0.86 7.64 -0.94 -4.77 113.62 114.16 1a8i n SER 313 Ca -0.01 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.40 1a8i n SER 313 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1a8i n SER 313 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1a8i n SER 314 N 0.12 0.00 0.00 6.43 3.41 -0.92 -5.04 113.62 117.62 1a8i n SER 314 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1a8i n SER 314 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1a8i n SER 314 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1a8i n LYS 315 N 0.00 0.00 0.00 4.33 4.81 -1.26 -5.04 118.16 121.00 1a8i n LYS 315 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a8i n LYS 315 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1a8i n LYS 315 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1a8i n PHE 316 N 0.00 0.00 0.00 5.64 3.72 -1.26 -5.12 117.46 120.44 1a8i n PHE 316 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1a8i n PHE 316 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1a8i n PHE 316 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1a8i n ARG 323 N 0.00 0.00 0.05 -1.08 0.63 -1.26 -5.16 116.66 109.84 1a8i n ARG 323 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 1a8i n ARG 323 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 1a8i n ARG 323 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1a8i h THR 324 N 0.00 0.44 0.00 5.15 1.35 -2.06 -3.22 112.91 114.57 1a8i h THR 324 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1a8i h THR 324 Cb 0.00 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 1a8i h THR 324 CO 0.00 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.81 1a8i n ASN 325 N -5.36 0.00 0.18 5.36 6.94 -1.26 -3.77 115.26 117.34 1a8i n ASN 325 Ca -0.05 0.74 0.18 0.00 -0.02 0.00 0.00 54.58 55.43 1a8i n ASN 325 Cb 0.28 -0.24 0.81 0.00 -2.36 0.00 0.00 39.78 38.27 1a8i n ASN 325 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 1a8i h PHE 326 N 0.00 0.00 -0.47 -2.53 0.04 -2.02 0.88 116.94 112.84 1a8i h PHE 326 Ca 0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1a8i h PHE 326 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1a8i h PHE 326 CO 0.11 0.00 0.32 -0.44 -0.60 0.00 0.00 178.31 177.69 1a8i h ASP 327 N 0.00 0.41 -0.15 2.17 3.32 -1.64 -0.15 116.42 120.38 1a8i h ASP 327 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1a8i h ASP 327 Cb 0.66 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1a8i h ASP 327 CO -0.00 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.80 1a8i n ALA 328 N -2.49 2.53 -0.20 3.45 0.00 0.30 -4.48 120.51 119.62 1a8i n ALA 328 Ca 0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.98 1a8i n ALA 328 Cb 0.19 -1.11 0.09 0.00 0.00 0.00 0.00 19.45 18.62 1a8i n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1a8i h PHE 329 N 2.07 0.51 0.00 0.00 3.57 -1.05 -1.25 116.94 120.78 1a8i h PHE 329 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1a8i h PHE 329 Cb 0.45 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1a8i h PHE 329 CO 0.09 0.21 0.00 -0.35 -2.23 0.00 0.00 178.31 176.04 1a8i n PRO 330 N -4.89 0.19 0.20 6.41 -0.04 -1.26 -0.67 135.00 134.93 1a8i n PRO 330 Ca 0.07 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 63.99 1a8i n PRO 330 Cb 0.20 -1.83 0.17 0.00 -0.04 0.00 0.00 33.50 32.00 1a8i n PRO 330 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1a8i h ASP 331 N 0.00 0.00 -0.00 3.54 3.32 -1.53 -3.33 116.42 118.42 1a8i h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a8i h ASP 331 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1a8i h ASP 331 CO 0.00 0.16 -0.15 0.29 -1.72 0.00 0.00 179.24 177.82 1a8i n LYS 332 N -3.15 2.94 -4.09 3.56 4.76 -0.30 -4.50 118.16 117.38 1a8i n LYS 332 Ca 0.03 -0.37 -0.17 0.00 -2.87 0.00 0.00 58.31 54.93 1a8i n LYS 332 Cb 0.57 -0.91 -0.15 0.00 -1.84 0.00 0.00 35.03 32.70 1a8i n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a8i s VAL 333 N -1.08 0.36 -0.07 -0.18 1.01 0.16 -1.14 120.40 119.46 1a8i s VAL 333 Ca 0.04 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1a8i s VAL 333 Cb 0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.05 1a8i s VAL 333 CO 0.16 0.15 -0.22 0.00 0.00 0.00 0.00 175.10 175.19 1a8i s ALA 334 N 0.47 1.96 -0.22 5.51 0.00 -0.16 -4.51 121.76 124.81 1a8i s ALA 334 Ca -0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 1a8i s ALA 334 Cb -0.09 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1a8i s ALA 334 CO -0.00 0.33 -0.03 0.42 0.00 0.00 0.00 175.76 176.47 1a8i s ILE 335 N 0.09 3.55 -0.28 0.00 1.01 0.06 0.08 121.20 125.71 1a8i s ILE 335 Ca -0.09 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 1a8i s ILE 335 Cb -0.15 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.71 1a8i s ILE 335 CO 0.05 0.42 0.06 -1.58 0.00 0.00 0.00 174.94 173.89 1a8i s GLN 336 N 1.35 3.14 -0.31 2.79 2.00 0.15 -1.46 119.66 127.32 1a8i s GLN 336 Ca 0.04 -0.82 -0.19 0.00 -2.00 0.00 0.00 55.36 52.39 1a8i s GLN 336 Cb -0.14 -3.31 -0.01 0.00 0.80 0.00 0.00 33.01 30.34 1a8i s GLN 336 CO -0.01 -0.40 0.58 -0.51 -0.50 0.00 0.00 175.29 174.45 1a8i s LEU 337 N 1.49 4.19 -0.67 3.68 1.43 0.13 -1.41 118.68 127.52 1a8i s LEU 337 Ca 0.03 0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 53.18 1a8i s LEU 337 Cb -0.17 -2.72 0.06 0.00 0.03 0.00 0.00 46.19 43.39 1a8i s LEU 337 CO 0.02 -0.46 1.06 0.21 0.23 0.00 0.00 176.35 177.41 1a8i s ASN 338 N 1.68 6.18 0.42 2.29 2.47 -0.93 -1.89 114.94 125.15 1a8i s ASN 338 Ca 0.23 -0.78 0.00 0.00 0.42 0.00 0.00 52.86 52.73 1a8i s ASN 338 Cb -0.15 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 1a8i s ASN 338 CO 0.12 -1.55 0.00 -0.67 -3.72 0.00 0.00 177.10 171.28 1a8i n ASP 339 N 8.19 -3.91 -0.20 -4.21 -0.08 -0.44 -3.97 116.55 111.93 1a8i n ASP 339 Ca -0.01 0.33 0.13 0.00 -1.51 0.00 0.00 54.79 53.73 1a8i n ASP 339 Cb 0.47 -0.92 0.67 0.00 2.34 0.00 0.00 41.12 43.67 1a8i n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1a8i n THR 340 N -1.76 0.03 -0.35 5.18 -2.24 -1.26 -4.42 114.28 109.47 1a8i n THR 340 Ca 0.00 -0.11 0.15 0.00 -2.27 0.00 0.00 64.05 61.82 1a8i n THR 340 Cb 0.14 -0.08 0.35 0.00 -2.10 0.00 0.00 70.33 68.64 1a8i n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1a8i h HIS 341 N 0.91 1.04 -0.66 4.78 3.86 -1.96 0.20 115.15 123.32 1a8i h HIS 341 Ca 0.00 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 1a8i h HIS 341 Cb 0.20 -0.31 -0.09 0.00 1.06 0.00 0.00 27.41 28.26 1a8i h HIS 341 CO 0.02 0.18 0.19 -0.35 0.86 0.00 0.00 177.93 178.82 1a8i n PRO 342 N -4.80 3.83 0.11 2.45 -0.04 -1.26 -4.63 135.00 130.66 1a8i n PRO 342 Ca 0.25 -3.10 0.18 0.00 -0.04 0.00 0.00 63.50 60.79 1a8i n PRO 342 Cb 0.64 -2.19 0.75 0.00 -0.04 0.00 0.00 33.50 32.66 1a8i n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1a8i h SER 343 N 2.80 0.00 0.00 3.54 4.64 -0.86 -1.10 113.55 122.57 1a8i h SER 343 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1a8i h SER 343 Cb 2.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.28 1a8i h SER 343 CO 0.65 0.00 0.01 0.18 -0.87 0.00 0.00 176.83 176.79 1a8i n LEU 344 N -4.03 0.39 0.13 5.97 4.77 -1.26 -1.35 117.00 121.61 1a8i n LEU 344 Ca 0.05 0.68 0.16 0.00 -0.03 0.00 0.00 56.01 56.87 1a8i n LEU 344 Cb 0.47 -0.73 0.72 0.00 -2.33 0.00 0.00 43.42 41.55 1a8i n LEU 344 CO 0.31 -0.81 1.14 0.00 -1.33 0.00 0.00 177.39 176.71 1a8i h ALA 345 N 1.98 2.16 0.71 -1.18 0.00 -1.55 0.65 119.26 122.02 1a8i h ALA 345 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1a8i h ALA 345 Cb 0.01 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1a8i h ALA 345 CO 0.00 -0.38 -0.34 0.82 0.00 0.00 0.00 179.25 179.35 1a8i h ILE 346 N 0.00 0.02 -0.01 0.00 2.04 -1.47 -0.74 117.51 117.35 1a8i h ILE 346 Ca 0.14 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 1a8i h ILE 346 Cb 0.60 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1a8i h ILE 346 CO -0.00 0.00 -0.41 1.55 0.00 0.00 0.00 178.15 179.29 1a8i h PRO 347 N -1.25 0.03 -0.67 2.37 0.13 -1.74 -2.37 132.00 128.51 1a8i h PRO 347 Ca -0.10 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.95 1a8i h PRO 347 Cb 0.74 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.84 1a8i h PRO 347 CO 0.16 0.43 0.15 1.49 -0.23 0.00 0.00 178.00 180.00 1a8i h GLU 348 N 0.02 1.06 -0.68 0.86 4.57 -0.85 0.73 114.58 120.30 1a8i h GLU 348 Ca -0.00 -0.25 -0.08 0.00 -1.18 0.00 0.00 59.36 57.85 1a8i h GLU 348 Cb 0.73 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 1a8i h GLU 348 CO 0.05 0.95 0.12 1.25 -1.18 0.00 0.00 179.01 180.20 1a8i h LEU 349 N 1.01 1.07 -0.59 1.64 5.85 -0.82 0.84 115.31 124.31 1a8i h LEU 349 Ca 0.21 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1a8i h LEU 349 Cb 0.37 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1a8i h LEU 349 CO 0.00 1.05 0.07 0.24 -0.34 0.00 0.00 178.44 179.47 1a8i h MET 350 N 1.04 0.99 -0.58 1.25 2.86 -1.25 0.12 114.93 119.37 1a8i h MET 350 Ca 0.21 -0.28 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1a8i h MET 350 Cb 0.44 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1a8i h MET 350 CO 0.01 0.95 0.34 -0.09 1.06 0.00 0.00 176.91 179.18 1a8i h ARG 351 N 0.89 0.64 -0.09 1.72 2.43 -0.34 0.13 114.38 119.76 1a8i h ARG 351 Ca 0.18 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1a8i h ARG 351 Cb 0.45 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1a8i h ARG 351 CO 0.02 0.42 -0.00 0.28 -1.51 0.00 0.00 179.97 179.18 1a8i h VAL 352 N 0.66 1.25 -0.73 0.20 2.07 -0.51 0.11 116.25 119.31 1a8i h VAL 352 Ca 0.24 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1a8i h VAL 352 Cb 0.06 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1a8i h VAL 352 CO -0.12 0.23 0.25 -0.07 0.02 0.00 0.00 177.57 177.87 1a8i h LEU 353 N -0.12 1.04 0.00 2.57 3.38 -0.70 0.80 115.31 122.27 1a8i h LEU 353 Ca 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1a8i h LEU 353 Cb 0.35 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1a8i h LEU 353 CO 0.00 0.96 -0.32 0.58 0.09 0.00 0.00 178.44 179.75 1a8i h VAL 354 N 1.06 0.34 -0.28 1.22 2.07 -0.72 -0.26 116.25 119.69 1a8i h VAL 354 Ca 0.24 -1.31 -0.13 0.00 0.82 0.00 0.00 66.70 66.32 1a8i h VAL 354 Cb 0.27 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1a8i h VAL 354 CO -0.01 0.11 -0.35 0.44 0.02 0.00 0.00 177.57 177.78 1a8i h ASP 355 N -1.00 0.64 0.00 0.57 3.32 -0.90 -2.71 116.42 116.34 1a8i h ASP 355 Ca -0.04 -0.26 -0.38 0.00 0.02 0.00 0.00 57.03 56.37 1a8i h ASP 355 Cb 0.46 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1a8i h ASP 355 CO -0.02 0.93 -2.36 0.18 -1.72 0.00 0.00 179.24 176.25 1a8i n LEU 356 N -4.06 2.47 0.00 1.55 4.77 -0.81 -4.57 117.00 116.36 1a8i n LEU 356 Ca -0.01 0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.15 1a8i n LEU 356 Cb 0.49 -0.78 0.34 0.00 -2.33 0.00 0.00 43.42 41.14 1a8i n LEU 356 CO 0.45 0.74 0.58 -0.62 -1.33 0.00 0.00 177.39 177.21 1a8i n GLU 357 N -3.57 0.01 -1.99 3.23 -0.58 0.21 -4.97 120.64 112.97 1a8i n GLU 357 Ca -0.45 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.18 1a8i n GLU 357 Cb 0.90 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 30.25 1a8i n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1a8i n ARG 358 N -1.53 -0.88 -2.15 3.49 5.12 -0.64 -4.95 116.66 115.12 1a8i n ARG 358 Ca 0.06 0.64 -0.32 0.00 -1.93 0.00 0.00 57.85 56.30 1a8i n ARG 358 Cb 0.34 -4.74 -0.01 0.00 -1.16 0.00 0.00 32.46 26.89 1a8i n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1a8i s LEU 359 N -3.12 3.48 0.59 0.55 1.43 -0.20 -4.97 118.68 116.45 1a8i s LEU 359 Ca 0.00 1.62 -0.15 0.00 -1.03 0.00 0.00 54.13 54.57 1a8i s LEU 359 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1a8i s LEU 359 CO 0.00 -0.86 1.04 1.51 0.23 0.00 0.00 176.35 178.26 1a8i s ASP 360 N -3.23 5.99 0.16 2.29 -4.77 -1.26 -4.37 116.67 111.47 1a8i s ASP 360 Ca 0.59 1.68 -0.24 0.00 -3.30 0.00 0.00 52.55 51.28 1a8i s ASP 360 Cb -0.12 -2.51 0.04 0.00 -1.09 0.00 0.00 42.92 39.24 1a8i s ASP 360 CO 0.38 -1.03 1.59 -0.25 0.70 0.00 0.00 175.17 176.57 1a8i h TRP 361 N 0.29 -1.01 -0.24 2.11 2.91 -1.97 -0.74 115.95 117.31 1a8i h TRP 361 Ca -0.46 0.06 0.05 0.00 1.13 0.00 0.00 58.89 59.68 1a8i h TRP 361 Cb 1.21 0.50 -0.05 0.00 -0.51 0.00 0.00 29.16 30.30 1a8i h TRP 361 CO 0.61 -0.40 -0.11 -0.44 -1.03 0.00 0.00 178.44 177.07 1a8i h ASP 362 N -0.28 -0.37 -0.76 2.65 3.32 -1.99 0.14 116.42 119.13 1a8i h ASP 362 Ca 0.16 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 1a8i h ASP 362 Cb 0.56 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1a8i h ASP 362 CO -0.55 -0.14 0.34 0.50 -1.72 0.00 0.00 179.24 177.66 1a8i h LYS 363 N -0.08 1.11 -0.93 3.56 1.63 -1.89 -1.42 116.57 118.55 1a8i h LYS 363 Ca 0.13 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1a8i h LYS 363 Cb 0.27 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 1a8i h LYS 363 CO -0.29 0.88 0.61 0.00 -3.45 0.00 0.00 179.45 177.20 1a8i h ALA 364 N 1.17 1.18 -0.25 5.00 0.00 -0.35 -2.29 119.26 123.72 1a8i h ALA 364 Ca 0.26 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1a8i h ALA 364 Cb 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1a8i h ALA 364 CO -0.03 0.58 -0.42 2.35 0.00 0.00 0.00 179.25 181.74 1a8i h TRP 365 N 1.26 0.73 -0.25 0.00 2.91 -0.49 -0.13 115.95 119.98 1a8i h TRP 365 Ca 0.34 -0.22 0.04 0.00 1.13 0.00 0.00 58.89 60.19 1a8i h TRP 365 Cb -0.14 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.31 1a8i h TRP 365 CO -0.01 0.93 -0.01 1.49 -1.03 0.00 0.00 178.44 179.81 1a8i h GLU 366 N 0.50 0.06 -0.11 2.65 4.81 -1.04 -0.45 114.58 120.99 1a8i h GLU 366 Ca 0.04 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1a8i h GLU 366 Cb 0.93 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1a8i h GLU 366 CO 0.08 0.04 0.03 0.28 -0.73 0.00 0.00 179.01 178.71 1a8i h VAL 367 N 0.06 1.18 -0.06 0.32 2.07 -1.32 -2.33 116.25 116.18 1a8i h VAL 367 Ca 0.12 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1a8i h VAL 367 Cb 0.16 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1a8i h VAL 367 CO -0.21 0.17 -0.02 0.74 0.02 0.00 0.00 177.57 178.26 1a8i h THR 368 N -0.01 0.93 -0.79 2.57 2.02 -0.62 -1.10 112.91 115.91 1a8i h THR 368 Ca 0.04 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1a8i h THR 368 Cb 0.23 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1a8i h THR 368 CO -0.00 0.00 0.35 0.58 0.37 0.00 0.00 175.52 176.82 1a8i h VAL 369 N -0.01 1.25 0.00 3.16 2.07 -1.07 -1.72 116.25 119.93 1a8i h VAL 369 Ca 0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1a8i h VAL 369 Cb 0.06 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1a8i h VAL 369 CO -0.07 0.31 0.00 0.11 0.02 0.00 0.00 177.57 177.95 1a8i h LYS 370 N 1.13 0.00 0.22 1.57 1.57 -1.01 -1.70 116.57 118.34 1a8i h LYS 370 Ca 0.27 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.70 1a8i h LYS 370 Cb 0.16 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.49 1a8i h LYS 370 CO -0.03 0.00 -1.65 1.15 -0.57 0.00 0.00 179.45 178.35 1a8i h THR 371 N 0.00 1.07 -3.19 -0.16 2.02 -0.65 -3.47 112.91 108.53 1a8i h THR 371 Ca 0.00 -2.58 -0.58 0.00 0.77 0.00 0.00 66.41 64.02 1a8i h THR 371 Cb 0.61 2.88 -0.04 0.00 -1.74 0.00 0.00 68.15 69.86 1a8i h THR 371 CO 0.00 0.84 -0.29 0.00 0.37 0.00 0.00 175.52 176.44 1a8i s ALA 373 N -1.67 -0.40 -0.06 0.00 0.00 -0.53 -1.48 121.76 117.61 1a8i s ALA 373 Ca 0.42 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.62 1a8i s ALA 373 Cb -0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1a8i s ALA 373 CO 0.24 -0.15 -0.23 -0.47 0.00 0.00 0.00 175.76 175.15 1a8i s TYR 374 N -0.70 2.47 -0.20 0.00 5.04 -0.11 -0.69 117.35 123.16 1a8i s TYR 374 Ca -0.08 -0.63 -0.04 0.00 -2.44 0.00 0.00 57.07 53.89 1a8i s TYR 374 Cb -0.05 -1.60 -0.01 0.00 0.35 0.00 0.00 41.96 40.65 1a8i s TYR 374 CO 0.01 -0.15 -0.05 0.99 -1.34 0.00 0.00 175.55 175.01 1a8i s THR 375 N -0.25 3.50 -0.11 4.34 2.01 -0.79 -1.60 115.64 122.73 1a8i s THR 375 Ca -0.01 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 1a8i s THR 375 Cb -0.13 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 1a8i s THR 375 CO 0.03 0.44 0.25 0.21 -0.69 0.00 0.00 174.62 174.86 1a8i s ASN 376 N 1.11 6.48 -0.04 3.53 3.84 -0.61 -1.33 114.94 127.92 1a8i s ASN 376 Ca 0.01 0.57 0.06 0.00 0.21 0.00 0.00 52.86 53.72 1a8i s ASN 376 Cb -0.15 -2.15 0.09 0.00 -0.55 0.00 0.00 41.25 38.50 1a8i s ASN 376 CO -0.00 0.27 0.99 1.41 -2.79 0.00 0.00 177.10 176.97 1a8i n HIS 377 N 2.60 0.00 -4.24 0.43 8.25 -1.26 -4.15 115.22 116.86 1a8i n HIS 377 Ca -0.16 -0.56 -0.13 0.00 -0.26 0.00 0.00 57.72 56.61 1a8i n HIS 377 Cb 0.53 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.46 1a8i n HIS 377 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1a8i s THR 378 N -1.39 0.20 0.00 1.59 -4.23 -1.26 -4.65 115.64 105.90 1a8i s THR 378 Ca 0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1a8i s THR 378 Cb 0.09 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1a8i s THR 378 CO 0.01 -0.02 0.00 1.33 -0.54 0.00 0.00 174.62 175.40 1a8i n VAL 379 N -0.33 0.00 -2.34 2.29 0.24 -1.26 -4.99 118.33 111.94 1a8i n VAL 379 Ca 0.01 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.90 1a8i n VAL 379 Cb 0.66 -0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 32.36 1a8i n VAL 379 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1a8i s ILE 380 N -1.64 3.32 0.38 1.34 -1.09 -1.26 -4.90 121.20 117.36 1a8i s ILE 380 Ca 0.00 1.22 0.05 0.00 -2.23 0.00 0.00 60.65 59.69 1a8i s ILE 380 Cb 0.00 -3.78 0.27 0.00 -1.58 0.00 0.00 42.46 37.37 1a8i s ILE 380 CO 0.00 0.25 2.03 -0.65 -1.23 0.00 0.00 174.94 175.34 1a8i h PRO 381 N 4.39 0.67 0.00 2.79 0.11 -1.97 -0.84 132.00 137.15 1a8i h PRO 381 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a8i h PRO 381 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1a8i h PRO 381 CO 0.70 0.44 0.00 -0.85 -0.21 0.00 0.00 178.00 178.09 1a8i n GLU 382 N -4.46 0.64 0.01 1.05 0.00 -1.26 -2.39 120.64 114.23 1a8i n GLU 382 Ca 0.05 0.02 0.12 0.00 0.00 0.00 0.00 57.16 57.35 1a8i n GLU 382 Cb 0.06 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.29 1a8i n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a8i n ALA 383 N -1.11 3.32 -2.00 -1.84 0.00 -0.32 -1.51 120.51 117.05 1a8i n ALA 383 Ca 0.17 -0.31 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 1a8i n ALA 383 Cb 0.13 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 1a8i n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a8i s LEU 384 N -3.14 4.56 -0.18 0.00 1.43 -1.01 -4.27 118.68 116.07 1a8i s LEU 384 Ca 0.11 1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 54.53 1a8i s LEU 384 Cb 0.17 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.05 1a8i s LEU 384 CO 0.68 0.19 1.26 -1.61 0.23 0.00 0.00 176.35 177.10 1a8i s GLU 385 N -1.26 4.20 -0.34 1.70 2.02 -1.26 -4.72 118.70 119.03 1a8i s GLU 385 Ca 0.37 1.60 -0.01 0.00 0.02 0.00 0.00 54.97 56.95 1a8i s GLU 385 Cb -0.22 -3.77 0.12 0.00 0.10 0.00 0.00 34.13 30.35 1a8i s GLU 385 CO 0.25 -0.75 0.16 1.03 0.02 0.00 0.00 175.26 175.97 1a8i s ARG 386 N 3.57 0.67 -0.06 1.61 0.52 -1.26 -1.94 118.95 122.06 1a8i s ARG 386 Ca 0.55 -1.19 -0.21 0.00 -0.52 0.00 0.00 55.73 54.36 1a8i s ARG 386 Cb -0.21 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1a8i s ARG 386 CO 0.15 -1.07 0.60 -1.58 0.02 0.00 0.00 175.30 173.42 1a8i s TRP 387 N 1.36 3.59 0.22 -0.53 0.52 -0.93 -4.79 118.94 118.39 1a8i s TRP 387 Ca 0.13 1.13 -0.31 0.00 0.02 0.00 0.00 56.10 57.06 1a8i s TRP 387 Cb -0.20 -2.67 -0.15 0.00 -1.15 0.00 0.00 33.47 29.31 1a8i s TRP 387 CO -0.17 0.20 1.24 -2.30 0.02 0.00 0.00 176.95 175.93 1a8i n PRO 388 N 3.40 1.53 0.06 4.98 -0.02 -1.26 -1.05 135.00 142.65 1a8i n PRO 388 Ca -0.05 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1a8i n PRO 388 Cb 0.51 -2.09 0.41 0.00 -0.02 0.00 0.00 33.50 32.32 1a8i n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1a8i h VAL 389 N 2.72 1.13 -0.71 -1.45 -1.51 -1.65 -2.37 116.25 112.41 1a8i h VAL 389 Ca -0.43 -0.43 -0.04 0.00 -1.23 0.00 0.00 66.70 64.56 1a8i h VAL 389 Cb 1.32 0.82 -0.03 0.00 -2.13 0.00 0.00 31.29 31.26 1a8i h VAL 389 CO 0.71 0.16 0.28 1.12 -1.23 0.00 0.00 177.57 178.61 1a8i h HIS 390 N 0.40 1.08 -0.42 5.19 2.07 -1.89 0.16 115.15 121.74 1a8i h HIS 390 Ca 0.10 -0.08 -0.04 0.00 -2.85 0.00 0.00 60.37 57.50 1a8i h HIS 390 Cb 0.13 -0.32 -0.02 0.00 2.57 0.00 0.00 27.41 29.77 1a8i h HIS 390 CO 0.00 0.83 0.11 1.25 -3.07 0.00 0.00 177.93 177.05 1a8i h LEU 391 N 1.01 0.63 -0.78 6.12 5.85 -1.81 -1.28 115.31 125.05 1a8i h LEU 391 Ca 0.24 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1a8i h LEU 391 Cb 0.21 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1a8i h LEU 391 CO -0.02 0.69 0.17 -0.07 -0.34 0.00 0.00 178.44 178.87 1a8i h LEU 392 N 0.53 1.03 -0.77 2.25 3.38 -1.33 0.15 115.31 120.55 1a8i h LEU 392 Ca 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1a8i h LEU 392 Cb 0.30 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1a8i h LEU 392 CO -0.00 0.98 0.44 -0.08 0.09 0.00 0.00 178.44 179.87 1a8i h GLU 393 N 1.03 1.05 0.10 1.13 4.81 -0.45 0.20 114.58 122.46 1a8i h GLU 393 Ca 0.22 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1a8i h GLU 393 Cb 0.36 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1a8i h GLU 393 CO 0.00 0.77 -0.05 1.15 -0.73 0.00 0.00 179.01 180.15 1a8i h THR 394 N 1.05 1.08 0.00 0.32 2.02 -0.94 -3.25 112.91 113.20 1a8i h THR 394 Ca 0.27 -1.30 -0.19 0.00 0.77 0.00 0.00 66.41 65.96 1a8i h THR 394 Cb 0.00 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1a8i h THR 394 CO -0.05 0.29 -0.85 0.25 0.37 0.00 0.00 175.52 175.53 1a8i h LEU 395 N -0.80 0.13 -5.67 2.58 5.85 -0.66 -3.38 115.31 113.36 1a8i h LEU 395 Ca -0.01 -0.11 -0.42 0.00 0.84 0.00 0.00 57.88 58.18 1a8i h LEU 395 Cb 0.57 -0.04 -0.31 0.00 0.37 0.00 0.00 40.66 41.25 1a8i h LEU 395 CO 0.02 0.92 -0.94 0.18 -0.34 0.00 0.00 178.44 178.28 1a8i n LEU 396 N -3.62 -0.44 -0.17 2.25 4.77 0.70 -0.51 117.00 119.98 1a8i n LEU 396 Ca -0.02 -4.46 0.06 0.00 -0.03 0.00 0.00 56.01 51.57 1a8i n LEU 396 Cb 0.80 0.76 0.36 0.00 -2.33 0.00 0.00 43.42 43.01 1a8i n LEU 396 CO 0.46 2.16 1.21 1.55 -1.33 0.00 0.00 177.39 181.44 1a8i h PRO 397 N 3.37 0.72 -0.01 3.23 0.13 -1.57 -0.91 132.00 136.95 1a8i h PRO 397 Ca 0.02 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.96 1a8i h PRO 397 Cb 0.98 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1a8i h PRO 397 CO 0.39 0.47 -0.70 -0.09 -0.23 0.00 0.00 178.00 177.85 1a8i h ARG 398 N 0.74 0.08 -0.36 0.86 9.65 -1.90 -2.75 114.38 120.70 1a8i h ARG 398 Ca 0.30 -0.07 -0.13 0.00 -1.10 0.00 0.00 59.98 58.98 1a8i h ARG 398 Cb 0.25 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1a8i h ARG 398 CO -0.10 0.74 -0.32 0.45 2.80 0.00 0.00 179.97 183.55 1a8i h HIS 399 N 0.05 0.92 -0.52 2.20 3.86 -1.57 -2.00 115.15 118.09 1a8i h HIS 399 Ca -0.01 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 58.88 1a8i h HIS 399 Cb 1.23 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 1a8i h HIS 399 CO 0.01 1.00 0.02 1.25 0.86 0.00 0.00 177.93 181.07 1a8i h LEU 400 N 0.66 0.84 -0.37 2.43 5.85 -1.18 0.16 115.31 123.70 1a8i h LEU 400 Ca 0.07 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1a8i h LEU 400 Cb 0.86 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1a8i h LEU 400 CO 0.08 0.89 0.23 1.56 -0.34 0.00 0.00 178.44 180.86 1a8i h GLN 401 N 0.81 0.46 -0.62 1.25 4.20 -1.27 -0.22 115.11 119.73 1a8i h GLN 401 Ca 0.16 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1a8i h GLN 401 Cb 0.46 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1a8i h GLN 401 CO 0.02 0.31 0.15 0.82 -0.67 0.00 0.00 178.83 179.46 1a8i h ILE 402 N 0.47 1.25 -0.62 2.54 2.04 -1.06 -2.19 117.51 119.95 1a8i h ILE 402 Ca 0.14 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1a8i h ILE 402 Cb -0.03 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1a8i h ILE 402 CO -0.05 0.34 0.23 0.40 0.00 0.00 0.00 178.15 179.08 1a8i h ILE 403 N 0.91 1.22 -0.50 -0.67 2.04 -0.19 -0.57 117.51 119.74 1a8i h ILE 403 Ca 0.19 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1a8i h ILE 403 Cb 0.35 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1a8i h ILE 403 CO 0.00 0.29 -0.08 1.88 0.00 0.00 0.00 178.15 180.24 1a8i h TYR 404 N 0.90 0.99 -0.46 1.37 0.05 -0.75 -0.26 116.97 118.80 1a8i h TYR 404 Ca 0.21 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1a8i h TYR 404 Cb 0.20 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 1a8i h TYR 404 CO 0.01 0.93 0.07 1.49 -1.05 0.00 0.00 178.16 179.62 1a8i h GLU 405 N 0.81 0.77 -0.48 4.88 4.57 -1.13 0.38 114.58 124.38 1a8i h GLU 405 Ca 0.14 -0.21 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1a8i h GLU 405 Cb 0.59 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.05 1a8i h GLU 405 CO 0.04 0.78 0.22 0.82 -1.18 0.00 0.00 179.01 179.69 1a8i h ILE 406 N 0.63 0.92 -0.37 2.32 2.04 -0.92 -1.93 117.51 120.20 1a8i h ILE 406 Ca 0.14 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1a8i h ILE 406 Cb 0.39 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1a8i h ILE 406 CO 0.01 0.08 0.13 -1.13 0.00 0.00 0.00 178.15 177.24 1a8i h ASN 407 N 0.43 0.53 -0.83 1.72 -1.24 -0.51 -1.36 115.58 114.31 1a8i h ASN 407 Ca 0.21 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 1a8i h ASN 407 Cb 0.16 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.03 1a8i h ASN 407 CO -0.17 0.57 0.50 -0.61 -1.29 0.00 0.00 177.43 176.43 1a8i h GLN 408 N 0.45 1.13 -0.13 6.67 5.75 -0.65 0.79 115.11 129.12 1a8i h GLN 408 Ca 0.12 -0.10 -0.17 0.00 -0.15 0.00 0.00 58.65 58.35 1a8i h GLN 408 Cb 0.22 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1a8i h GLN 408 CO -0.01 0.79 -0.62 0.00 -2.65 0.00 0.00 178.83 176.35 1a8i h ARG 409 N 1.14 0.45 -0.40 1.69 3.08 -1.22 -1.53 114.38 117.59 1a8i h ARG 409 Ca 0.30 -0.31 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 1a8i h ARG 409 Cb -0.05 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1a8i h ARG 409 CO -0.06 0.93 -0.33 0.35 -1.07 0.00 0.00 179.97 179.79 1a8i h PHE 410 N 0.33 1.10 0.00 3.04 3.57 -1.00 -2.28 116.94 121.71 1a8i h PHE 410 Ca -0.01 -0.31 -0.07 0.00 3.53 0.00 0.00 57.97 61.10 1a8i h PHE 410 Cb 1.17 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1a8i h PHE 410 CO 0.04 1.14 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.83 1a8i h LEU 411 N 0.76 0.00 -0.84 0.59 3.38 -0.78 -0.81 115.31 117.61 1a8i h LEU 411 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1a8i h LEU 411 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1a8i h LEU 411 CO 0.09 0.36 0.28 0.78 0.09 0.00 0.00 178.44 180.03 1a8i h ASN 412 N 0.00 1.05 -0.53 -0.43 2.35 -1.08 -0.04 115.58 116.89 1a8i h ASN 412 Ca -0.00 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.46 1a8i h ASN 412 Cb 0.79 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1a8i h ASN 412 CO 0.05 0.95 -0.11 0.03 -1.65 0.00 0.00 177.43 176.69 1a8i h ARG 413 N 1.10 1.02 -0.24 0.81 3.08 -0.76 -2.09 114.38 117.30 1a8i h ARG 413 Ca 0.25 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1a8i h ARG 413 Cb 0.24 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1a8i h ARG 413 CO -0.02 1.06 0.15 0.28 -1.07 0.00 0.00 179.97 180.38 1a8i h VAL 414 N 0.91 1.09 -0.35 2.04 2.07 -0.69 -1.53 116.25 119.79 1a8i h VAL 414 Ca 0.14 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1a8i h VAL 414 Cb 0.68 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1a8i h VAL 414 CO 0.05 0.09 0.19 0.00 0.02 0.00 0.00 177.57 177.92 1a8i h ALA 415 N 1.05 1.68 0.01 1.67 0.00 -0.88 -1.13 119.26 121.65 1a8i h ALA 415 Ca 0.09 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1a8i h ALA 415 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1a8i h ALA 415 CO -0.02 0.27 -0.99 0.00 0.00 0.00 0.00 179.25 178.51 1a8i h ALA 416 N 1.73 0.37 0.05 0.00 0.00 -1.17 -2.71 119.26 117.53 1a8i h ALA 416 Ca 0.13 -0.89 -0.23 0.00 0.00 0.00 0.00 54.91 53.91 1a8i h ALA 416 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1a8i h ALA 416 CO -0.02 1.22 -1.06 0.00 0.00 0.00 0.00 179.25 179.38 1a8i h ALA 417 N 1.00 0.30 -2.08 0.00 0.00 -1.02 -3.39 119.26 114.06 1a8i h ALA 417 Ca -0.02 -0.86 -0.57 0.00 0.00 0.00 0.00 54.91 53.47 1a8i h ALA 417 Cb 1.75 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 19.05 1a8i h ALA 417 CO 0.13 1.08 -0.92 1.19 0.00 0.00 0.00 179.25 180.74 1a8i n PHE 418 N -3.48 1.34 -1.81 0.00 3.72 -0.45 -5.10 117.46 111.68 1a8i n PHE 418 Ca -0.04 -3.82 -0.42 0.00 -0.05 0.00 0.00 57.45 53.13 1a8i n PHE 418 Cb 0.94 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 1a8i n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1a8i s PRO 419 N -1.92 4.16 0.00 -1.08 0.02 -1.02 -1.76 135.00 133.40 1a8i s PRO 419 Ca 0.38 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1a8i s PRO 419 Cb 0.19 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1a8i s PRO 419 CO -0.08 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 1a8i n GLY 420 N 3.92 1.56 3.52 0.52 0.00 -1.26 -4.97 105.19 108.48 1a8i n GLY 420 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1a8i n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a8i s ASP 421 N -3.24 6.76 0.21 1.61 -1.08 -0.72 -4.80 116.67 115.42 1a8i s ASP 421 Ca 0.00 -2.24 -0.04 0.00 -0.52 0.00 0.00 52.55 49.74 1a8i s ASP 421 Cb 0.00 -2.49 0.19 0.00 -1.46 0.00 0.00 42.92 39.16 1a8i s ASP 421 CO 0.00 -1.12 1.63 0.58 0.52 0.00 0.00 175.17 176.78 1a8i h VAL 422 N 5.71 1.27 -0.02 1.11 2.07 -1.93 -2.84 116.25 121.63 1a8i h VAL 422 Ca 0.29 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 1a8i h VAL 422 Cb 0.94 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1a8i h VAL 422 CO 1.32 0.44 -0.48 -0.78 0.02 0.00 0.00 177.57 178.09 1a8i h ASP 423 N 0.68 0.04 -0.82 0.57 3.58 -2.00 -2.39 116.42 116.08 1a8i h ASP 423 Ca 0.10 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1a8i h ASP 423 Cb 0.73 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 1a8i h ASP 423 CO 0.06 0.52 0.47 -0.09 -2.88 0.00 0.00 179.24 177.31 1a8i h ARG 424 N 0.03 1.13 -0.33 0.28 2.43 -1.91 -0.69 114.38 115.31 1a8i h ARG 424 Ca -0.00 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1a8i h ARG 424 Cb 0.86 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1a8i h ARG 424 CO 0.06 0.81 0.19 -0.07 -1.51 0.00 0.00 179.97 179.46 1a8i h LEU 425 N 1.13 0.30 -0.75 3.80 3.38 -1.27 0.20 115.31 122.09 1a8i h LEU 425 Ca 0.29 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1a8i h LEU 425 Cb -0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1a8i h LEU 425 CO -0.05 0.22 0.39 -0.09 0.09 0.00 0.00 178.44 179.00 1a8i h ARG 426 N 0.39 1.07 -0.41 1.13 2.43 -1.18 -2.06 114.38 115.74 1a8i h ARG 426 Ca 0.13 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1a8i h ARG 426 Cb 0.01 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1a8i h ARG 426 CO -0.07 0.81 -0.27 0.00 -1.51 0.00 0.00 179.97 178.93 1a8i h ARG 427 N 1.05 0.86 0.00 0.20 3.08 -0.84 -3.26 114.38 115.47 1a8i h ARG 427 Ca 0.26 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1a8i h ARG 427 Cb 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1a8i h ARG 427 CO -0.04 1.03 -0.58 0.52 -1.07 0.00 0.00 179.97 179.83 1a8i h MET 428 N 0.74 0.00 -6.43 0.04 2.86 -0.91 -3.48 114.93 107.75 1a8i h MET 428 Ca 0.09 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.13 1a8i h MET 428 Cb 0.82 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.62 1a8i h MET 428 CO 0.07 0.00 -0.18 0.45 1.06 0.00 0.00 176.91 178.31 1a8i n SER 429 N -2.50 -0.05 0.22 1.22 2.88 -0.78 -4.88 113.62 109.73 1a8i n SER 429 Ca 0.03 0.97 0.10 0.00 -1.33 0.00 0.00 58.87 58.63 1a8i n SER 429 Cb 0.49 -1.20 0.46 0.00 -0.75 0.00 0.00 64.21 63.22 1a8i n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1a8i h LEU 430 N 1.10 0.00 -8.92 2.46 4.07 -1.91 -3.43 115.31 108.69 1a8i h LEU 430 Ca -0.41 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 56.92 1a8i h LEU 430 Cb 1.38 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.97 1a8i h LEU 430 CO 0.54 0.23 -0.18 -0.69 -1.08 0.00 0.00 178.44 177.26 1a8i s VAL 431 N -3.68 5.14 -0.14 1.22 1.01 -1.26 -0.85 120.40 121.84 1a8i s VAL 431 Ca 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 1a8i s VAL 431 Cb 0.10 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1a8i s VAL 431 CO 0.64 0.10 0.17 -1.61 0.00 0.00 0.00 175.10 174.40 1a8i s GLU 432 N 2.14 3.83 0.71 2.72 2.02 0.15 -4.95 118.70 125.32 1a8i s GLU 432 Ca 0.16 -0.10 -0.11 0.00 0.02 0.00 0.00 54.97 54.94 1a8i s GLU 432 Cb -0.16 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.79 1a8i s GLU 432 CO 0.10 0.54 1.10 -2.00 0.02 0.00 0.00 175.26 175.02 1a8i s GLU 433 N -0.38 2.80 0.00 1.61 2.56 -1.26 -1.75 118.70 122.28 1a8i s GLU 433 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 54.97 55.52 1a8i s GLU 433 Cb -0.12 -2.03 0.00 0.00 2.00 0.00 0.00 34.13 33.98 1a8i s GLU 433 CO 0.03 -1.06 0.00 0.41 -0.56 0.00 0.00 175.26 174.07 1a8i n GLY 434 N -3.01 0.15 0.36 -1.50 0.00 -1.26 -4.83 105.19 95.09 1a8i n GLY 434 Ca 0.07 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 1a8i n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8i h ALA 435 N 0.00 1.24 -3.04 4.61 0.00 -2.07 -3.33 119.26 116.67 1a8i h ALA 435 Ca 0.00 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 54.19 1a8i h ALA 435 Cb 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 17.79 17.15 1a8i h ALA 435 CO 0.00 0.54 -0.71 0.08 0.00 0.00 0.00 179.25 179.17 1a8i s VAL 436 N -6.10 3.40 0.36 0.00 1.01 -1.26 -5.10 120.40 112.71 1a8i s VAL 436 Ca -0.13 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.00 1a8i s VAL 436 Cb 0.18 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.86 1a8i s VAL 436 CO 0.81 0.34 1.07 -0.54 0.00 0.00 0.00 175.10 176.77 1a8i s LYS 437 N 1.46 4.33 0.08 2.72 1.02 -1.25 -4.86 119.74 123.23 1a8i s LYS 437 Ca 0.04 1.61 0.02 0.00 0.02 0.00 0.00 55.97 57.66 1a8i s LYS 437 Cb -0.15 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1a8i s LYS 437 CO -0.02 -0.02 -0.07 1.03 -0.92 0.00 0.00 175.35 175.35 1a8i s ARG 438 N -2.13 0.73 -0.23 1.68 0.52 -0.72 -1.67 118.95 117.14 1a8i s ARG 438 Ca 0.53 -1.15 -0.13 0.00 -0.52 0.00 0.00 55.73 54.47 1a8i s ARG 438 Cb -0.25 -0.21 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 1a8i s ARG 438 CO 0.32 -0.00 0.26 0.42 0.02 0.00 0.00 175.30 176.32 1a8i s ILE 439 N -2.94 5.29 -0.53 1.52 -1.09 -0.21 0.33 121.20 123.57 1a8i s ILE 439 Ca 0.05 0.39 -0.26 0.00 -2.23 0.00 0.00 60.65 58.60 1a8i s ILE 439 Cb 0.01 -3.59 0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1a8i s ILE 439 CO -0.03 0.30 1.03 0.21 -1.23 0.00 0.00 174.94 175.22 1a8i s ASN 440 N 1.07 6.44 0.37 3.58 3.84 -0.03 -2.18 114.94 128.02 1a8i s ASN 440 Ca 0.12 -0.03 0.16 0.00 0.21 0.00 0.00 52.86 53.33 1a8i s ASN 440 Cb -0.14 -2.49 0.72 0.00 -0.55 0.00 0.00 41.25 38.80 1a8i s ASN 440 CO 0.06 -1.26 1.78 0.24 -2.79 0.00 0.00 177.10 175.13 1a8i h MET 441 N 9.32 0.00 -0.65 0.43 2.86 -1.70 -2.49 114.93 122.69 1a8i h MET 441 Ca -0.25 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 1a8i h MET 441 Cb 1.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1a8i h MET 441 CO 1.11 0.39 0.27 0.00 1.06 0.00 0.00 176.91 179.74 1a8i h ALA 442 N 1.61 0.85 -0.21 6.32 0.00 -1.91 -0.73 119.26 125.18 1a8i h ALA 442 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1a8i h ALA 442 Cb 0.79 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1a8i h ALA 442 CO 0.05 0.45 -0.35 0.45 0.00 0.00 0.00 179.25 179.86 1a8i h HIS 443 N 0.92 0.51 -0.35 0.00 3.86 -1.84 -1.73 115.15 116.52 1a8i h HIS 443 Ca 0.22 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1a8i h HIS 443 Cb 0.19 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1a8i h HIS 443 CO 0.01 0.74 0.21 1.25 0.86 0.00 0.00 177.93 181.00 1a8i h LEU 444 N 0.38 0.41 -0.63 2.43 5.85 -1.12 -2.14 115.31 120.49 1a8i h LEU 444 Ca 0.04 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1a8i h LEU 444 Cb 0.79 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1a8i h LEU 444 CO 0.06 0.34 0.33 0.00 -0.34 0.00 0.00 178.44 178.84 1a8i h ILE 446 N 0.87 1.21 -0.54 0.00 2.04 -1.22 -1.26 117.51 118.61 1a8i h ILE 446 Ca 0.22 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1a8i h ILE 446 Cb 0.07 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1a8i h ILE 446 CO -0.03 0.24 0.18 0.00 0.00 0.00 0.00 178.15 178.54 1a8i h ALA 447 N 1.08 1.30 -0.71 1.87 0.00 -1.24 -3.03 119.26 118.54 1a8i h ALA 447 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a8i h ALA 447 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a8i h ALA 447 CO -0.02 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1a8i n GLY 448 N -0.99 2.54 3.43 0.00 0.00 -0.65 -4.96 105.19 104.57 1a8i n GLY 448 Ca 0.04 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1a8i n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a8i s SER 449 N -0.99 3.54 0.00 1.61 0.01 -0.50 -4.06 113.70 113.31 1a8i s SER 449 Ca 0.48 -0.72 0.26 0.00 1.31 0.00 0.00 55.95 57.29 1a8i s SER 449 Cb 0.26 -0.34 0.70 0.00 0.21 0.00 0.00 66.02 66.85 1a8i s SER 449 CO 0.32 0.16 1.55 0.00 0.41 0.00 0.00 173.24 175.68 1a8i n HIS 450 N 0.70 0.00 -3.76 2.43 1.44 -0.55 -4.82 115.22 110.66 1a8i n HIS 450 Ca -0.16 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.42 1a8i n HIS 450 Cb 0.54 -0.31 -0.10 0.00 0.12 0.00 0.00 29.99 30.23 1a8i n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a8i s ALA 451 N -2.99 -0.82 -0.05 1.59 0.00 -1.26 -4.53 121.76 113.70 1a8i s ALA 451 Ca 0.12 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.86 1a8i s ALA 451 Cb 0.18 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1a8i s ALA 451 CO 0.65 -0.19 -0.10 0.08 0.00 0.00 0.00 175.76 176.20 1a8i s VAL 452 N -0.28 0.93 0.02 0.00 1.01 -0.13 -0.94 120.40 121.03 1a8i s VAL 452 Ca -0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1a8i s VAL 452 Cb -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1a8i s VAL 452 CO 0.02 0.30 -0.02 0.54 0.00 0.00 0.00 175.10 175.94 1a8i s ASN 453 N 0.48 0.27 0.43 3.32 4.22 -0.63 -0.19 114.94 122.84 1a8i s ASN 453 Ca -0.09 -0.56 0.06 0.00 -2.14 0.00 0.00 52.86 50.12 1a8i s ASN 453 Cb -0.13 0.13 0.07 0.00 1.28 0.00 0.00 41.25 42.60 1a8i s ASN 453 CO 0.02 -0.36 0.58 0.61 -2.04 0.00 0.00 177.10 175.91 1a8i n GLY 454 N 1.32 1.79 0.05 0.45 0.00 -1.09 -1.58 105.19 106.14 1a8i n GLY 454 Ca -0.22 -2.17 0.01 0.00 0.00 0.00 0.00 46.02 43.63 1a8i n GLY 454 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a8i n VAL 455 N -1.95 1.04 -3.58 1.61 0.24 -1.26 -1.92 118.33 112.50 1a8i n VAL 455 Ca 0.12 -1.05 -0.11 0.00 -2.04 0.00 0.00 64.34 61.25 1a8i n VAL 455 Cb 0.42 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.20 1a8i n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a8i s ALA 456 N -1.08 -1.91 0.22 2.33 0.00 -1.26 -1.38 121.76 118.69 1a8i s ALA 456 Ca 0.03 1.62 -0.08 0.00 0.00 0.00 0.00 51.96 53.53 1a8i s ALA 456 Cb 0.02 -0.77 0.36 0.00 0.00 0.00 0.00 23.12 22.73 1a8i s ALA 456 CO 0.01 -0.30 1.69 -0.09 0.00 0.00 0.00 175.76 177.07 1a8i h ARG 457 N 3.05 0.22 -0.90 0.00 2.43 -1.90 0.18 114.38 117.46 1a8i h ARG 457 Ca -0.22 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1a8i h ARG 457 Cb 1.16 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1a8i h ARG 457 CO 0.27 0.15 0.52 0.97 -1.51 0.00 0.00 179.97 180.37 1a8i h ILE 458 N 0.23 1.26 -0.09 1.20 2.10 -1.90 -1.23 117.51 119.08 1a8i h ILE 458 Ca 0.35 -0.60 -0.06 0.00 1.08 0.00 0.00 64.86 65.64 1a8i h ILE 458 Cb 0.57 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.31 1a8i h ILE 458 CO -0.47 0.28 -0.17 -0.74 -1.08 0.00 0.00 178.15 175.96 1a8i h HIS 459 N 1.26 0.35 -0.95 2.19 2.76 -1.60 -0.91 115.15 118.25 1a8i h HIS 459 Ca 0.32 -0.13 0.05 0.00 -2.20 0.00 0.00 60.37 58.42 1a8i h HIS 459 Cb -0.01 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 28.83 1a8i h HIS 459 CO 0.01 0.78 0.61 0.77 -1.30 0.00 0.00 177.93 178.80 1a8i h SER 460 N -0.18 0.99 -0.46 3.26 0.02 -0.45 -1.15 113.55 115.57 1a8i h SER 460 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1a8i h SER 460 Cb 0.76 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1a8i h SER 460 CO 0.04 0.66 0.07 -0.33 -1.14 0.00 0.00 176.83 176.13 1a8i h GLU 461 N 1.14 0.77 0.00 3.45 4.39 -1.21 -3.04 114.58 120.08 1a8i h GLU 461 Ca 0.39 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1a8i h GLU 461 Cb 0.09 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1a8i h GLU 461 CO -0.15 0.78 -0.26 0.97 -1.16 0.00 0.00 179.01 179.19 1a8i h ILE 462 N 0.63 1.11 -0.75 3.13 6.09 -0.33 -1.23 117.51 126.16 1a8i h ILE 462 Ca 0.14 -0.91 0.01 0.00 -1.37 0.00 0.00 64.86 62.73 1a8i h ILE 462 Cb 0.39 1.50 -0.04 0.00 0.47 0.00 0.00 36.82 39.14 1a8i h ILE 462 CO 0.01 0.26 0.49 -0.07 -3.07 0.00 0.00 178.15 175.77 1a8i h LEU 463 N 0.00 0.84 -0.28 2.19 3.38 -1.14 0.09 115.31 120.39 1a8i h LEU 463 Ca -0.00 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1a8i h LEU 463 Cb 0.48 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1a8i h LEU 463 CO 0.03 0.60 -0.83 0.11 0.09 0.00 0.00 178.44 178.45 1a8i h LYS 464 N 1.00 0.44 0.08 1.13 1.57 -1.31 0.19 116.57 119.67 1a8i h LYS 464 Ca 0.28 -0.40 -0.28 0.00 -1.87 0.00 0.00 60.65 58.38 1a8i h LYS 464 Cb -0.08 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1a8i h LYS 464 CO -0.07 1.05 -1.41 0.87 -0.57 0.00 0.00 179.45 179.32 1a8i h LYS 465 N 0.28 0.18 0.00 3.15 1.79 -1.10 -3.32 116.57 117.55 1a8i h LYS 465 Ca -0.05 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1a8i h LYS 465 Cb 1.43 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1a8i h LYS 465 CO 0.14 1.04 0.00 2.41 -1.08 0.00 0.00 179.45 181.96 1a8i n THR 466 N -3.40 0.06 -0.12 -0.16 -1.04 -0.01 -4.65 114.28 104.97 1a8i n THR 466 Ca -0.12 0.02 -0.05 0.00 -2.04 0.00 0.00 64.05 61.86 1a8i n THR 466 Cb 1.02 -0.68 0.01 0.00 -1.82 0.00 0.00 70.33 68.87 1a8i n THR 466 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1a8i h ILE 467 N 0.00 0.62 -0.35 12.58 2.04 -1.59 -2.94 117.51 127.87 1a8i h ILE 467 Ca 0.00 -0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.60 1a8i h ILE 467 Cb 0.00 0.61 -0.21 0.00 -0.74 0.00 0.00 36.82 36.47 1a8i h ILE 467 CO 0.00 0.00 -0.68 0.49 0.00 0.00 0.00 178.15 177.97 1a8i n PHE 468 N -5.29 1.26 -0.29 1.37 3.72 0.67 -4.88 117.46 114.03 1a8i n PHE 468 Ca 0.02 -1.81 0.12 0.00 -0.05 0.00 0.00 57.45 55.73 1a8i n PHE 468 Cb 0.21 -0.29 0.36 0.00 -0.94 0.00 0.00 39.48 38.83 1a8i n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1a8i h LYS 469 N 1.57 0.70 -0.67 -1.08 3.64 -1.50 -1.13 116.57 118.10 1a8i h LYS 469 Ca 0.15 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1a8i h LYS 469 Cb 1.28 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1a8i h LYS 469 CO 0.35 0.47 0.10 -0.44 -2.27 0.00 0.00 179.45 177.65 1a8i h ASP 470 N 0.72 1.07 -0.52 4.20 3.32 -1.87 -1.41 116.42 121.94 1a8i h ASP 470 Ca 0.47 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 1a8i h ASP 470 Cb 0.72 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1a8i h ASP 470 CO -0.22 1.07 -0.14 -0.26 -1.72 0.00 0.00 179.24 177.96 1a8i h PHE 471 N 1.04 1.15 -0.77 4.55 -1.00 -1.72 -1.56 116.94 118.62 1a8i h PHE 471 Ca 0.20 -0.25 -0.05 0.00 2.81 0.00 0.00 57.97 60.68 1a8i h PHE 471 Cb 0.46 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 1a8i h PHE 471 CO 0.03 1.08 0.27 -0.92 -1.61 0.00 0.00 178.31 177.16 1a8i h TYR 472 N 0.89 1.22 -0.32 -0.55 3.20 -1.05 0.22 116.97 120.57 1a8i h TYR 472 Ca 0.13 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1a8i h TYR 472 Cb 0.72 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1a8i h TYR 472 CO 0.05 0.94 -0.18 0.93 -1.64 0.00 0.00 178.16 178.26 1a8i h GLU 473 N 1.14 0.59 -0.12 1.82 5.08 -0.99 -1.56 114.58 120.54 1a8i h GLU 473 Ca 0.25 -0.20 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 1a8i h GLU 473 Cb 0.27 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1a8i h GLU 473 CO -0.01 0.74 -0.79 1.25 -1.00 0.00 0.00 179.01 179.19 1a8i h LEU 474 N 0.53 0.90 -6.07 1.33 5.85 -0.75 -3.41 115.31 113.69 1a8i h LEU 474 Ca 0.09 -0.65 -0.55 0.00 0.84 0.00 0.00 57.88 57.61 1a8i h LEU 474 Cb 0.61 -0.27 -0.37 0.00 0.37 0.00 0.00 40.66 41.00 1a8i h LEU 474 CO 0.04 1.41 -1.02 -0.62 -0.34 0.00 0.00 178.44 177.91 1a8i n GLU 475 N -3.96 0.52 0.20 1.25 1.02 0.71 -4.99 120.64 115.39 1a8i n GLU 475 Ca -0.08 -3.11 0.05 0.00 -0.02 0.00 0.00 57.16 53.99 1a8i n GLU 475 Cb 0.75 -1.39 0.49 0.00 -0.02 0.00 0.00 31.44 31.28 1a8i n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1a8i h PRO 476 N 4.61 0.06 0.00 3.49 0.13 -1.49 -2.37 132.00 136.43 1a8i h PRO 476 Ca 0.13 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1a8i h PRO 476 Cb 0.90 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1a8i h PRO 476 CO 0.41 0.20 -0.02 1.12 -0.23 0.00 0.00 178.00 179.49 1a8i h HIS 477 N 0.06 0.00 -0.04 1.56 2.07 -1.94 -2.63 115.15 114.22 1a8i h HIS 477 Ca 0.01 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.42 1a8i h HIS 477 Cb 0.29 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.25 1a8i h HIS 477 CO 0.00 0.02 -0.50 0.87 -3.07 0.00 0.00 177.93 175.25 1a8i h LYS 478 N 0.00 0.10 -5.99 5.12 1.57 -1.66 -3.46 116.57 112.25 1a8i h LYS 478 Ca -0.00 -0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 58.15 1a8i h LYS 478 Cb 0.38 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 1a8i h LYS 478 CO 0.00 0.58 0.51 -0.06 -0.57 0.00 0.00 179.45 179.91 1a8i s PHE 479 N -3.92 3.40 0.33 -1.35 0.40 -1.00 -0.95 117.98 114.88 1a8i s PHE 479 Ca -0.03 1.33 0.03 0.00 -0.60 0.00 0.00 56.93 57.66 1a8i s PHE 479 Cb 0.13 -3.10 -0.05 0.00 0.51 0.00 0.00 43.02 40.52 1a8i s PHE 479 CO 0.76 -0.31 0.10 -0.65 0.70 0.00 0.00 175.22 175.81 1a8i s GLN 480 N 2.46 1.65 -0.03 0.44 -0.21 0.74 -4.97 119.66 119.73 1a8i s GLN 480 Ca 0.40 -1.94 0.07 0.00 0.02 0.00 0.00 55.36 53.92 1a8i s GLN 480 Cb -0.16 -0.57 -0.02 0.00 1.00 0.00 0.00 33.01 33.26 1a8i s GLN 480 CO 0.11 -0.31 -0.25 1.21 -2.12 0.00 0.00 175.29 173.93 1a8i s ASN 481 N -3.46 2.99 -0.37 5.90 3.04 -1.26 -2.67 114.94 119.11 1a8i s ASN 481 Ca 0.34 -0.47 0.00 0.00 0.04 0.00 0.00 52.86 52.77 1a8i s ASN 481 Cb 0.07 -0.48 0.14 0.00 -1.54 0.00 0.00 41.25 39.43 1a8i s ASN 481 CO 0.15 0.29 0.22 -0.54 -3.04 0.00 0.00 177.10 174.18 1a8i s LYS 482 N -0.46 0.68 0.24 0.43 -0.14 -0.81 -4.94 119.74 114.75 1a8i s LYS 482 Ca 0.06 -1.46 -0.31 0.00 -1.36 0.00 0.00 55.97 52.89 1a8i s LYS 482 Cb -0.11 -1.49 -0.13 0.00 -1.68 0.00 0.00 37.83 34.43 1a8i s LYS 482 CO 0.00 -1.20 1.56 2.41 -0.76 0.00 0.00 175.35 177.36 1a8i n THR 483 N 3.94 0.67 -0.66 2.17 -1.04 -1.26 -4.26 114.28 113.83 1a8i n THR 483 Ca 0.12 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 1a8i n THR 483 Cb 0.37 -1.76 0.22 0.00 -1.82 0.00 0.00 70.33 67.34 1a8i n THR 483 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1a8i s ASN 484 N 0.62 1.70 0.29 8.00 0.02 -0.48 -4.60 114.94 120.48 1a8i s ASN 484 Ca 0.69 1.67 -0.06 0.00 -1.02 0.00 0.00 52.86 54.14 1a8i s ASN 484 Cb -0.57 -2.34 0.02 0.00 0.02 0.00 0.00 41.25 38.38 1a8i s ASN 484 CO 0.44 -3.78 0.49 0.61 0.02 0.00 0.00 177.10 174.88 1a8i n GLY 485 N 0.42 1.82 3.04 0.66 0.00 -1.26 -4.81 105.19 105.05 1a8i n GLY 485 Ca 0.06 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1a8i n GLY 485 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1a8i s ILE 486 N -2.54 0.32 0.07 -0.61 -4.36 0.29 -4.47 121.20 109.89 1a8i s ILE 486 Ca 0.18 -1.16 -0.29 0.00 -0.26 0.00 0.00 60.65 59.12 1a8i s ILE 486 Cb -0.02 -0.65 -0.05 0.00 1.25 0.00 0.00 42.46 42.99 1a8i s ILE 486 CO 0.13 -0.55 0.91 0.28 0.24 0.00 0.00 174.94 175.95 1a8i s THR 487 N -1.92 4.65 -1.88 8.37 -1.32 -1.26 -0.82 115.64 121.46 1a8i s THR 487 Ca -0.09 1.94 0.29 0.00 -1.21 0.00 0.00 61.69 62.62 1a8i s THR 487 Cb -0.06 -4.26 0.75 0.00 -1.51 0.00 0.00 72.50 67.42 1a8i s THR 487 CO -0.02 0.29 2.04 -0.81 -2.21 0.00 0.00 174.62 173.92 1a8i n PRO 488 N 3.06 0.80 0.00 7.08 -0.04 -1.26 -1.44 135.00 143.20 1a8i n PRO 488 Ca 0.02 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1a8i n PRO 488 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1a8i n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a8i n ARG 489 N -1.06 0.00 -0.28 0.54 3.00 -1.26 -2.05 116.66 115.55 1a8i n ARG 489 Ca 0.20 0.29 -0.03 0.00 -0.01 0.00 0.00 57.85 58.30 1a8i n ARG 489 Cb 0.12 -0.96 0.08 0.00 0.00 0.00 0.00 32.46 31.71 1a8i n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1a8i h ARG 490 N 0.00 0.98 -0.76 5.56 2.43 -1.97 -0.62 114.38 120.00 1a8i h ARG 490 Ca 0.00 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1a8i h ARG 490 Cb 0.00 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1a8i h ARG 490 CO 0.00 0.65 0.03 0.91 -1.51 0.00 0.00 179.97 180.05 1a8i n TRP 491 N -4.58 1.36 0.14 2.20 7.02 -0.52 -2.58 117.44 120.49 1a8i n TRP 491 Ca 0.08 -0.52 0.00 0.00 -1.02 0.00 0.00 57.50 56.04 1a8i n TRP 491 Cb 0.05 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.56 1a8i n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1a8i n LEU 492 N 0.33 -2.12 -0.11 -0.99 7.94 -1.10 -4.77 117.00 116.18 1a8i n LEU 492 Ca 0.19 0.53 -0.10 0.00 -1.11 0.00 0.00 56.01 55.53 1a8i n LEU 492 Cb 0.88 2.13 -0.02 0.00 0.53 0.00 0.00 43.42 46.94 1a8i n LEU 492 CO 0.22 -0.16 0.91 0.58 -1.11 0.00 0.00 177.39 177.83 1a8i h VAL 493 N 0.00 1.18 0.19 1.96 2.07 -0.81 -0.08 116.25 120.75 1a8i h VAL 493 Ca 0.00 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1a8i h VAL 493 Cb 0.00 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1a8i h VAL 493 CO 0.00 0.19 -0.09 -0.07 0.02 0.00 0.00 177.57 177.62 1a8i h LEU 494 N 0.39 -0.21 0.00 2.57 3.38 -1.26 -3.21 115.31 116.97 1a8i h LEU 494 Ca 0.11 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1a8i h LEU 494 Cb 0.17 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1a8i h LEU 494 CO -0.01 0.28 -0.05 0.00 0.09 0.00 0.00 178.44 178.75 1a8i n ASN 496 N -2.44 -0.21 -0.11 0.00 2.85 -0.05 -4.87 115.26 110.44 1a8i n ASN 496 Ca 0.05 -3.12 0.09 0.00 -0.11 0.00 0.00 54.58 51.50 1a8i n ASN 496 Cb 0.45 0.08 0.44 0.00 1.24 0.00 0.00 39.78 41.99 1a8i n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1a8i h PRO 497 N 3.25 0.53 -0.67 1.20 0.13 -1.66 -0.70 132.00 134.08 1a8i h PRO 497 Ca 0.04 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1a8i h PRO 497 Cb 0.98 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.94 1a8i h PRO 497 CO 0.40 0.35 0.38 0.78 -0.23 0.00 0.00 178.00 179.68 1a8i h GLY 498 N 0.54 0.98 1.67 1.56 0.00 -1.91 0.26 103.07 106.18 1a8i h GLY 498 Ca 0.28 -0.27 -0.22 0.00 0.00 0.00 0.00 47.33 47.13 1a8i h GLY 498 CO -0.08 0.17 -0.94 -2.00 0.00 0.00 0.00 176.54 173.69 1a8i h LEU 499 N 0.70 0.39 -0.86 3.11 5.85 -1.71 -2.44 115.31 120.34 1a8i h LEU 499 Ca 0.30 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1a8i h LEU 499 Cb 0.17 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1a8i h LEU 499 CO -0.17 1.13 0.43 0.00 -0.34 0.00 0.00 178.44 179.49 1a8i h ALA 500 N 0.84 1.11 -0.29 1.25 0.00 -0.75 -1.87 119.26 119.56 1a8i h ALA 500 Ca -0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1a8i h ALA 500 Cb 1.58 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a8i h ALA 500 CO 0.15 0.66 -0.32 1.49 0.00 0.00 0.00 179.25 181.23 1a8i h GLU 501 N 1.22 0.73 -0.05 0.00 4.57 -0.38 -1.31 114.58 119.36 1a8i h GLU 501 Ca 0.30 -0.40 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 1a8i h GLU 501 Cb 0.09 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1a8i h GLU 501 CO -0.04 1.02 -0.48 -0.84 -1.18 0.00 0.00 179.01 177.48 1a8i h ILE 502 N 0.48 1.35 -0.34 2.32 3.07 -1.20 -0.42 117.51 122.77 1a8i h ILE 502 Ca 0.04 -1.69 -0.06 0.00 1.55 0.00 0.00 64.86 64.71 1a8i h ILE 502 Cb 0.90 1.85 -0.01 0.00 -0.27 0.00 0.00 36.82 39.28 1a8i h ILE 502 CO 0.08 0.49 -0.01 0.40 -1.05 0.00 0.00 178.15 178.06 1a8i h ILE 503 N 0.10 1.26 -0.24 0.16 2.04 -1.31 -3.14 117.51 116.38 1a8i h ILE 503 Ca 0.00 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1a8i h ILE 503 Cb 0.90 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1a8i h ILE 503 CO 0.07 0.33 -0.04 0.00 0.00 0.00 0.00 178.15 178.51 1a8i h ALA 504 N 0.85 1.49 -0.64 1.87 0.00 -0.72 -1.42 119.26 120.70 1a8i h ALA 504 Ca 0.10 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1a8i h ALA 504 Cb 0.47 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1a8i h ALA 504 CO 0.02 0.36 0.42 0.93 0.00 0.00 0.00 179.25 180.98 1a8i h GLU 505 N 0.35 0.63 0.08 0.00 5.08 -1.04 -0.04 114.58 119.64 1a8i h GLU 505 Ca 0.08 -0.04 -0.37 0.00 -1.00 0.00 0.00 59.36 58.03 1a8i h GLU 505 Cb 0.30 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1a8i h GLU 505 CO 0.01 0.41 -2.12 0.54 -1.00 0.00 0.00 179.01 176.85 1a8i n ARG 506 N -4.47 0.72 -0.05 2.33 5.12 -0.90 -4.72 116.66 114.68 1a8i n ARG 506 Ca 0.09 0.24 0.03 0.00 -1.93 0.00 0.00 57.85 56.28 1a8i n ARG 506 Cb 0.22 -1.65 0.04 0.00 -1.16 0.00 0.00 32.46 29.91 1a8i n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1a8i n ILE 507 N -3.46 1.07 -3.42 0.55 -5.35 -0.58 -5.12 119.36 103.05 1a8i n ILE 507 Ca -0.36 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 1a8i n ILE 507 Cb 1.02 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 1a8i n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a8i n GLY 508 N -0.68 -1.85 0.59 3.28 0.00 -0.04 -4.56 105.19 101.93 1a8i n GLY 508 Ca 0.05 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.68 1a8i n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a8i n GLU 509 N 0.00 1.60 0.19 1.61 1.02 -1.26 -4.25 120.64 119.56 1a8i n GLU 509 Ca 0.00 -1.25 0.06 0.00 -0.02 0.00 0.00 57.16 55.95 1a8i n GLU 509 Cb 0.00 -1.35 0.56 0.00 -0.02 0.00 0.00 31.44 30.62 1a8i n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1a8i h GLU 510 N 2.87 0.12 -0.25 3.49 5.08 -1.96 -2.46 114.58 121.48 1a8i h GLU 510 Ca 0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1a8i h GLU 510 Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1a8i h GLU 510 CO 0.00 0.13 0.17 0.10 -1.00 0.00 0.00 179.01 178.41 1a8i h TYR 511 N 0.12 0.23 -0.93 4.33 -0.00 -1.80 -2.25 116.97 116.68 1a8i h TYR 511 Ca 0.03 0.01 0.25 0.00 -0.00 0.00 0.00 58.73 59.02 1a8i h TYR 511 Cb 0.07 -0.08 -0.05 0.00 -0.00 0.00 0.00 36.73 36.67 1a8i h TYR 511 CO 0.00 0.14 0.65 0.82 -0.00 0.00 0.00 178.16 179.77 1a8i h ILE 512 N 0.25 0.57 0.00 -0.90 2.04 -1.79 -0.40 117.51 117.28 1a8i h ILE 512 Ca 0.10 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1a8i h ILE 512 Cb 0.10 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1a8i h ILE 512 CO -0.02 0.03 -0.54 -1.54 0.00 0.00 0.00 178.15 176.08 1a8i n SER 513 N -4.37 1.65 -2.72 1.72 3.41 -0.88 -4.66 113.62 107.77 1a8i n SER 513 Ca 0.20 -3.68 -0.07 0.00 -0.26 0.00 0.00 58.87 55.06 1a8i n SER 513 Cb 0.90 -0.50 0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1a8i n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1a8i n ASP 514 N -0.95 -2.22 0.33 4.04 2.03 -0.23 -5.05 116.55 114.49 1a8i n ASP 514 Ca 0.17 -2.92 0.22 0.00 0.52 0.00 0.00 54.79 52.78 1a8i n ASP 514 Cb 0.74 1.55 1.17 0.00 -0.72 0.00 0.00 41.12 43.86 1a8i n ASP 514 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1a8i h LEU 515 N 3.33 0.00 -2.63 -2.67 5.85 -1.65 -1.83 115.31 115.70 1a8i h LEU 515 Ca -0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1a8i h LEU 515 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1a8i h LEU 515 CO 0.13 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 178.67 1a8i h ASP 516 N 0.00 0.00 0.33 1.25 3.32 -1.86 -1.59 116.42 117.87 1a8i h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a8i h ASP 516 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1a8i h ASP 516 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1a8i n GLN 517 N -3.01 0.14 0.30 3.56 6.02 -0.69 -1.81 117.38 121.89 1a8i n GLN 517 Ca -0.02 0.51 0.19 0.00 -0.01 0.00 0.00 57.00 57.66 1a8i n GLN 517 Cb 0.11 -1.85 1.01 0.00 1.02 0.00 0.00 30.24 30.53 1a8i n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1a8i h LEU 518 N 0.00 0.00 -2.35 1.08 3.38 -1.53 0.12 115.31 116.01 1a8i h LEU 518 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1a8i h LEU 518 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1a8i h LEU 518 CO 0.00 0.00 0.07 0.03 0.09 0.00 0.00 178.44 178.63 1a8i h ARG 519 N 0.00 0.00 -0.10 1.13 3.08 -0.79 0.58 114.38 118.29 1a8i h ARG 519 Ca 0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1a8i h ARG 519 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1a8i h ARG 519 CO -0.00 0.00 0.16 0.87 -1.07 0.00 0.00 179.97 179.93 1a8i h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.19 -2.17 116.57 114.82 1a8i h LYS 520 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1a8i h LYS 520 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1a8i h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1a8i n LEU 521 N -3.51 0.00 0.23 2.94 4.77 0.20 -2.01 117.00 119.62 1a8i n LEU 521 Ca -0.00 0.50 0.16 0.00 -0.03 0.00 0.00 56.01 56.63 1a8i n LEU 521 Cb 0.26 -0.50 0.61 0.00 -2.33 0.00 0.00 43.42 41.45 1a8i n LEU 521 CO 0.24 -0.26 0.95 -0.07 -1.33 0.00 0.00 177.39 176.91 1a8i h LEU 522 N 0.00 0.00 -0.55 2.23 3.38 -1.58 -1.69 115.31 117.10 1a8i h LEU 522 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a8i h LEU 522 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1a8i h LEU 522 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1a8i n SER 523 N -2.85 0.44 -0.74 -0.43 7.64 -0.85 -2.80 113.62 114.02 1a8i n SER 523 Ca 0.01 0.62 0.08 0.00 1.01 0.00 0.00 58.87 60.59 1a8i n SER 523 Cb 0.30 -0.71 0.22 0.00 -1.01 0.00 0.00 64.21 63.00 1a8i n SER 523 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1a8i n TYR 524 N -2.00 0.72 0.29 1.43 4.01 -0.64 -4.64 117.16 116.34 1a8i n TYR 524 Ca 0.02 -0.77 0.17 0.00 -0.16 0.00 0.00 57.90 57.16 1a8i n TYR 524 Cb 0.18 -0.22 0.86 0.00 -0.31 0.00 0.00 39.34 39.86 1a8i n TYR 524 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1a8i h VAL 525 N 1.69 0.28 -0.20 -0.72 -1.51 -1.65 -1.12 116.25 113.02 1a8i h VAL 525 Ca 0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1a8i h VAL 525 Cb 1.19 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1a8i h VAL 525 CO 0.14 0.05 0.00 0.47 -1.23 0.00 0.00 177.57 177.01 1a8i n ASP 526 N -3.36 3.51 -4.56 4.19 8.00 -1.26 -4.88 116.55 118.19 1a8i n ASP 526 Ca -0.02 -3.00 -0.42 0.00 0.71 0.00 0.00 54.79 52.06 1a8i n ASP 526 Cb 0.20 -0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 1a8i n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a8i s ASP 527 N -2.11 6.43 0.35 -2.24 -1.08 -0.42 -4.95 116.67 112.64 1a8i s ASP 527 Ca 0.39 0.08 0.04 0.00 -0.52 0.00 0.00 52.55 52.54 1a8i s ASP 527 Cb 0.32 -2.34 0.67 0.00 -1.46 0.00 0.00 42.92 40.11 1a8i s ASP 527 CO 0.08 -0.68 1.96 -0.33 0.52 0.00 0.00 175.17 176.72 1a8i h GLU 528 N 8.58 0.81 -0.11 4.34 4.39 -1.94 -0.02 114.58 130.64 1a8i h GLU 528 Ca -0.26 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.32 1a8i h GLU 528 Cb 1.10 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1a8i h GLU 528 CO 0.87 0.54 -0.21 0.00 -1.16 0.00 0.00 179.01 179.05 1a8i h ALA 529 N 1.58 0.17 -0.11 3.43 0.00 -1.96 -1.75 119.26 120.63 1a8i h ALA 529 Ca 0.32 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1a8i h ALA 529 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1a8i h ALA 529 CO -0.10 0.12 0.07 0.35 0.00 0.00 0.00 179.25 179.68 1a8i h PHE 530 N -0.10 0.14 -0.60 0.00 3.57 -1.78 0.68 116.94 118.85 1a8i h PHE 530 Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1a8i h PHE 530 Cb 0.79 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 1a8i h PHE 530 CO 0.11 0.12 0.10 0.82 -2.23 0.00 0.00 178.31 177.22 1a8i h ILE 531 N 0.12 0.61 -0.38 1.41 2.04 -1.05 0.93 117.51 121.19 1a8i h ILE 531 Ca 0.04 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1a8i h ILE 531 Cb 0.02 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1a8i h ILE 531 CO -0.01 0.04 0.20 -0.09 0.00 0.00 0.00 178.15 178.29 1a8i h ARG 532 N 0.23 0.39 -0.02 2.37 2.43 -0.53 -2.75 114.38 116.49 1a8i h ARG 532 Ca 0.31 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.25 1a8i h ARG 532 Cb 0.48 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1a8i h ARG 532 CO -0.42 0.26 -0.86 -0.44 -1.51 0.00 0.00 179.97 176.99 1a8i h ASP 533 N 0.41 0.48 -0.33 -3.80 3.32 0.01 -1.49 116.42 115.01 1a8i h ASP 533 Ca 0.16 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.87 1a8i h ASP 533 Cb 0.05 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1a8i h ASP 533 CO -0.10 1.14 0.17 0.58 -1.72 0.00 0.00 179.24 179.31 1a8i h VAL 534 N 0.23 1.00 -0.73 -1.35 2.07 -0.81 0.05 116.25 116.71 1a8i h VAL 534 Ca -0.06 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1a8i h VAL 534 Cb 1.48 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1a8i h VAL 534 CO 0.15 0.06 0.43 0.00 0.02 0.00 0.00 177.57 178.23 1a8i h ALA 535 N 1.16 0.93 -0.60 1.67 0.00 -1.43 -1.81 119.26 119.19 1a8i h ALA 535 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1a8i h ALA 535 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1a8i h ALA 535 CO -0.09 0.41 0.14 -0.22 0.00 0.00 0.00 179.25 179.50 1a8i h LYS 536 N 1.00 0.96 -0.54 0.00 3.64 -0.95 -1.58 116.57 119.10 1a8i h LYS 536 Ca 0.26 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1a8i h LYS 536 Cb -0.02 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1a8i h LYS 536 CO -0.05 0.88 0.05 0.28 -2.27 0.00 0.00 179.45 178.35 1a8i h VAL 537 N 0.87 1.26 -0.65 2.00 2.07 -0.67 -1.59 116.25 119.52 1a8i h VAL 537 Ca 0.19 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 1a8i h VAL 537 Cb 0.36 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1a8i h VAL 537 CO 0.00 0.36 0.21 0.50 0.02 0.00 0.00 177.57 178.67 1a8i h LYS 538 N 0.80 1.01 -0.78 1.57 1.63 -1.19 -1.28 116.57 118.33 1a8i h LYS 538 Ca 0.16 -0.21 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 1a8i h LYS 538 Cb 0.46 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 1a8i h LYS 538 CO 0.02 0.88 0.29 0.37 -3.45 0.00 0.00 179.45 177.55 1a8i h GLN 539 N 0.94 1.18 -0.63 1.90 5.75 -0.91 -0.25 115.11 123.09 1a8i h GLN 539 Ca 0.21 -0.23 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1a8i h GLN 539 Cb 0.28 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 1a8i h GLN 539 CO -0.01 0.97 0.19 0.93 -2.65 0.00 0.00 178.83 178.26 1a8i h GLU 540 N 1.14 0.97 -0.12 1.69 5.08 -0.99 -0.89 114.58 121.47 1a8i h GLU 540 Ca 0.26 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1a8i h GLU 540 Cb 0.25 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1a8i h GLU 540 CO -0.02 0.83 -0.57 -0.91 -1.00 0.00 0.00 179.01 177.35 1a8i h ASN 541 N 0.93 0.41 0.20 1.42 2.35 -0.22 -0.49 115.58 120.18 1a8i h ASN 541 Ca 0.21 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1a8i h ASN 541 Cb 0.27 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1a8i h ASN 541 CO -0.01 0.89 -0.35 0.11 -1.65 0.00 0.00 177.43 176.42 1a8i h LYS 542 N 0.28 0.22 -0.04 0.81 1.57 -0.73 0.10 116.57 118.77 1a8i h LYS 542 Ca 0.00 -0.09 -0.23 0.00 -1.87 0.00 0.00 60.65 58.46 1a8i h LYS 542 Cb 1.08 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.39 1a8i h LYS 542 CO 0.10 0.55 -0.88 -0.07 -0.57 0.00 0.00 179.45 178.57 1a8i h LEU 543 N 0.19 0.85 -0.72 2.94 3.38 -0.78 -1.51 115.31 119.67 1a8i h LEU 543 Ca 0.02 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.25 1a8i h LEU 543 Cb 0.71 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1a8i h LEU 543 CO 0.05 1.44 0.34 0.50 0.09 0.00 0.00 178.44 180.87 1a8i h LYS 544 N 0.34 1.04 -0.21 1.13 3.64 -0.83 -1.80 116.57 119.88 1a8i h LYS 544 Ca -0.10 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1a8i h LYS 544 Cb 1.54 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 1a8i h LYS 544 CO 0.18 0.82 0.05 0.35 -2.27 0.00 0.00 179.45 178.57 1a8i h PHE 545 N 1.01 0.36 -0.32 1.91 3.57 -0.74 -1.55 116.94 121.17 1a8i h PHE 545 Ca 0.25 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1a8i h PHE 545 Cb 0.13 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1a8i h PHE 545 CO 0.01 0.46 0.19 0.00 -2.23 0.00 0.00 178.31 176.74 1a8i h ALA 546 N 0.86 1.74 -0.18 2.41 0.00 -1.21 -1.44 119.26 121.44 1a8i h ALA 546 Ca 0.07 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1a8i h ALA 546 Cb 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1a8i h ALA 546 CO 0.00 0.23 -0.61 0.00 0.00 0.00 0.00 179.25 178.88 1a8i h ALA 547 N 1.78 0.61 -0.64 0.00 0.00 -1.00 -2.16 119.26 117.85 1a8i h ALA 547 Ca 0.12 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1a8i h ALA 547 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1a8i h ALA 547 CO -0.02 0.70 0.21 -0.92 0.00 0.00 0.00 179.25 179.21 1a8i h TYR 548 N 0.45 1.02 -0.47 0.00 3.20 -0.56 -1.38 116.97 119.23 1a8i h TYR 548 Ca -0.00 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.64 1a8i h TYR 548 Cb 1.17 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1a8i h TYR 548 CO 0.05 0.83 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.13 1a8i h LEU 549 N 0.92 0.99 -0.33 2.82 3.38 -1.18 -0.15 115.31 121.75 1a8i h LEU 549 Ca 0.21 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1a8i h LEU 549 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1a8i h LEU 549 CO -0.01 1.16 0.02 -0.08 0.09 0.00 0.00 178.44 179.62 1a8i h GLU 550 N 0.81 0.57 0.52 1.13 4.57 -1.26 -1.21 114.58 119.70 1a8i h GLU 550 Ca 0.11 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1a8i h GLU 550 Cb 0.78 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1a8i h GLU 550 CO 0.06 0.68 -0.25 -0.09 -1.18 0.00 0.00 179.01 178.24 1a8i h ARG 551 N 0.38 -0.67 0.00 1.92 2.43 -1.16 -2.55 114.38 114.73 1a8i h ARG 551 Ca 0.10 0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 1a8i h ARG 551 Cb 0.41 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1a8i h ARG 551 CO 0.01 -0.45 -0.76 0.93 -1.51 0.00 0.00 179.97 178.20 1a8i h GLU 552 N -0.88 0.00 0.00 0.20 4.39 -1.16 -3.38 114.58 113.76 1a8i h GLU 552 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1a8i h GLU 552 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1a8i h GLU 552 CO 0.12 0.76 0.00 0.66 -1.16 0.00 0.00 179.01 179.38 1a8i n TYR 553 N -3.40 0.00 -3.91 4.33 4.01 -0.93 -5.03 117.16 112.23 1a8i n TYR 553 Ca 0.00 -0.04 -0.27 0.00 -0.16 0.00 0.00 57.90 57.43 1a8i n TYR 553 Cb 0.80 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.82 1a8i n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1a8i n LYS 554 N -0.04 -2.74 -4.89 -0.72 4.76 -0.54 -4.96 118.16 109.03 1a8i n LYS 554 Ca 0.00 0.40 -0.33 0.00 -2.87 0.00 0.00 58.31 55.51 1a8i n LYS 554 Cb 0.12 -4.36 -0.14 0.00 -1.84 0.00 0.00 35.03 28.81 1a8i n LYS 554 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a8i s VAL 555 N -3.85 2.89 -0.24 -0.18 1.01 -0.73 -4.93 120.40 114.37 1a8i s VAL 555 Ca 0.11 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1a8i s VAL 555 Cb -0.04 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1a8i s VAL 555 CO 0.89 0.55 0.14 -2.28 0.00 0.00 0.00 175.10 174.39 1a8i s HIS 556 N -0.01 3.26 0.11 5.22 2.46 -1.26 -2.91 115.29 122.17 1a8i s HIS 556 Ca -0.05 0.10 0.10 0.00 0.47 0.00 0.00 55.06 55.69 1a8i s HIS 556 Cb -0.14 -2.25 -0.04 0.00 -0.13 0.00 0.00 32.58 30.02 1a8i s HIS 556 CO 0.04 -0.00 -0.26 0.96 -2.47 0.00 0.00 174.74 173.01 1a8i s ILE 557 N 1.11 2.12 -0.28 0.89 -4.36 -1.26 -5.09 121.20 114.32 1a8i s ILE 557 Ca 0.07 -1.66 -0.29 0.00 -0.26 0.00 0.00 60.65 58.50 1a8i s ILE 557 Cb -0.14 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.70 1a8i s ILE 557 CO 0.05 0.09 1.18 0.21 0.24 0.00 0.00 174.94 176.71 1a8i s ASN 558 N -1.92 6.86 0.51 4.36 2.47 -1.26 -4.91 114.94 121.05 1a8i s ASN 558 Ca 0.12 1.23 0.30 0.00 0.42 0.00 0.00 52.86 54.93 1a8i s ASN 558 Cb -0.10 -2.54 1.30 0.00 -1.45 0.00 0.00 41.25 38.46 1a8i s ASN 558 CO 0.05 -0.92 1.97 1.55 -3.72 0.00 0.00 177.10 176.04 1a8i h PRO 559 N 8.48 0.00 -2.40 0.43 0.13 -1.99 -3.01 132.00 133.64 1a8i h PRO 559 Ca -0.23 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 64.10 1a8i h PRO 559 Cb 1.08 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.93 1a8i h PRO 559 CO 1.02 0.11 0.85 0.09 -0.23 0.00 0.00 178.00 179.84 1a8i n ASN 560 N -3.31 6.92 -4.04 1.44 4.13 -1.26 -4.90 115.26 114.23 1a8i n ASN 560 Ca -0.00 -3.62 -0.08 0.00 1.68 0.00 0.00 54.58 52.56 1a8i n ASN 560 Cb 0.32 -1.15 -0.09 0.00 -1.54 0.00 0.00 39.78 37.32 1a8i n ASN 560 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1a8i s SER 561 N -1.60 0.39 -0.05 6.41 1.04 -1.14 -4.83 113.70 113.92 1a8i s SER 561 Ca 0.38 -0.92 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 1a8i s SER 561 Cb 0.16 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1a8i s SER 561 CO -0.07 -0.64 1.31 -0.22 0.98 0.00 0.00 173.24 174.60 1a8i s LEU 562 N -2.91 4.28 -0.45 2.42 0.20 -0.09 -4.81 118.68 117.32 1a8i s LEU 562 Ca 0.07 1.94 -0.22 0.00 0.69 0.00 0.00 54.13 56.61 1a8i s LEU 562 Cb 0.07 -3.56 0.03 0.00 -0.43 0.00 0.00 46.19 42.30 1a8i s LEU 562 CO -0.10 -0.68 0.72 -0.36 -0.29 0.00 0.00 176.35 175.64 1a8i s PHE 563 N 2.55 3.02 -0.37 5.38 0.40 -1.26 -1.36 117.98 126.34 1a8i s PHE 563 Ca 0.60 0.00 -0.10 0.00 -0.60 0.00 0.00 56.93 56.83 1a8i s PHE 563 Cb -0.27 -3.53 0.03 0.00 0.51 0.00 0.00 43.02 39.76 1a8i s PHE 563 CO 0.23 -0.96 0.20 0.34 0.70 0.00 0.00 175.22 175.73 1a8i s ASP 564 N 2.15 5.68 -0.08 1.36 -1.08 -0.60 -1.14 116.67 122.95 1a8i s ASP 564 Ca 0.25 -1.05 0.02 0.00 -0.52 0.00 0.00 52.55 51.25 1a8i s ASP 564 Cb -0.14 -2.00 0.01 0.00 -1.46 0.00 0.00 42.92 39.33 1a8i s ASP 564 CO 0.20 -0.39 -0.15 -0.69 0.52 0.00 0.00 175.17 174.66 1a8i s VAL 565 N 1.53 1.35 -0.31 1.11 1.01 -0.25 -0.63 120.40 124.20 1a8i s VAL 565 Ca 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1a8i s VAL 565 Cb -0.19 -1.22 0.09 0.00 0.00 0.00 0.00 36.38 35.06 1a8i s VAL 565 CO 0.06 0.40 0.05 -1.58 0.00 0.00 0.00 175.10 174.04 1a8i s GLN 566 N 0.69 1.17 -0.09 2.72 0.74 -0.66 -1.75 119.66 122.47 1a8i s GLN 566 Ca -0.14 -1.40 0.01 0.00 0.05 0.00 0.00 55.36 53.88 1a8i s GLN 566 Cb -0.16 -2.59 0.02 0.00 1.10 0.00 0.00 33.01 31.38 1a8i s GLN 566 CO 0.04 -0.91 -0.09 0.14 -0.55 0.00 0.00 175.29 173.92 1a8i s VAL 567 N 1.28 1.03 0.00 1.34 -7.23 -1.26 -1.80 120.40 113.77 1a8i s VAL 567 Ca 0.08 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1a8i s VAL 567 Cb -0.18 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.75 1a8i s VAL 567 CO -0.15 0.35 0.00 2.29 -0.31 0.00 0.00 175.10 177.28 1a8i n LYS 568 N 4.49 0.00 -1.28 4.82 2.85 -1.04 -4.99 118.16 123.01 1a8i n LYS 568 Ca -0.17 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.74 1a8i n LYS 568 Cb 0.51 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.99 1a8i n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1a8i n ARG 569 N -0.33 0.42 -2.88 -1.58 5.12 -1.26 -4.07 116.66 112.08 1a8i n ARG 569 Ca 0.00 0.21 -0.42 0.00 -1.93 0.00 0.00 57.85 55.71 1a8i n ARG 569 Cb 0.00 -2.35 -0.04 0.00 -1.16 0.00 0.00 32.46 28.91 1a8i n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1a8i s ILE 570 N -1.91 4.85 -0.20 0.55 -1.09 -0.35 -4.87 121.20 118.17 1a8i s ILE 570 Ca 0.74 1.60 -0.15 0.00 -2.23 0.00 0.00 60.65 60.61 1a8i s ILE 570 Cb -0.32 -4.13 0.06 0.00 -1.58 0.00 0.00 42.46 36.49 1a8i s ILE 570 CO 0.50 -0.04 0.52 -2.28 -1.23 0.00 0.00 174.94 172.40 1a8i s HIS 571 N 2.63 -0.66 0.39 3.97 2.46 -1.26 -4.73 115.29 118.10 1a8i s HIS 571 Ca 0.36 1.48 0.20 0.00 0.47 0.00 0.00 55.06 57.57 1a8i s HIS 571 Cb -0.16 0.28 1.15 0.00 -0.13 0.00 0.00 32.58 33.73 1a8i s HIS 571 CO 0.09 -0.33 1.72 0.93 -2.47 0.00 0.00 174.74 174.68 1a8i h GLU 572 N 6.07 0.33 0.00 2.88 5.08 -1.96 -1.63 114.58 125.35 1a8i h GLU 572 Ca -0.31 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1a8i h GLU 572 Cb 1.18 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1a8i h GLU 572 CO 0.21 0.22 -0.08 0.10 -1.00 0.00 0.00 179.01 178.46 1a8i h TYR 573 N 0.34 0.00 0.00 4.33 -0.00 -1.98 -2.13 116.97 117.53 1a8i h TYR 573 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.39 1a8i h TYR 573 Cb 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.46 1a8i h TYR 573 CO -0.00 0.08 -0.33 1.63 -0.00 0.00 0.00 178.16 179.54 1a8i n LYS 574 N -3.21 0.15 -3.44 0.10 5.02 -0.62 -2.59 118.16 113.56 1a8i n LYS 574 Ca 0.00 0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.19 1a8i n LYS 574 Cb 0.34 -1.62 0.09 0.00 -0.02 0.00 0.00 35.03 33.82 1a8i n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1a8i n ARG 575 N -1.85 -6.59 0.16 1.97 1.74 -0.80 -3.85 116.66 107.43 1a8i n ARG 575 Ca 0.05 0.84 0.16 0.00 -0.77 0.00 0.00 57.85 58.13 1a8i n ARG 575 Cb 0.39 -5.85 0.74 0.00 -1.02 0.00 0.00 32.46 26.72 1a8i n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1a8i h GLN 576 N -1.91 0.00 -0.46 5.56 7.50 -1.85 -1.16 115.11 122.79 1a8i h GLN 576 Ca -0.59 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.51 1a8i h GLN 576 Cb 1.34 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.85 1a8i h GLN 576 CO 0.50 0.00 0.06 -0.07 -1.50 0.00 0.00 178.83 177.83 1a8i h LEU 577 N 0.00 0.67 -0.66 1.46 3.38 -1.91 -0.20 115.31 118.04 1a8i h LEU 577 Ca 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1a8i h LEU 577 Cb 0.51 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1a8i h LEU 577 CO -0.00 0.70 0.36 0.25 0.09 0.00 0.00 178.44 179.84 1a8i h LEU 578 N 0.68 0.83 -0.61 1.67 5.85 -1.58 -1.21 115.31 120.94 1a8i h LEU 578 Ca 0.15 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1a8i h LEU 578 Cb 0.33 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1a8i h LEU 578 CO 0.01 0.69 0.33 -1.13 -0.34 0.00 0.00 178.44 178.00 1a8i h ASN 579 N 0.91 0.76 -0.62 1.25 -0.00 -1.30 -1.84 115.58 114.74 1a8i h ASN 579 Ca 0.23 -0.10 0.08 0.00 -0.00 0.00 0.00 56.30 56.52 1a8i h ASN 579 Cb 0.05 -0.19 -0.07 0.00 -0.00 0.00 0.00 38.32 38.11 1a8i h ASN 579 CO -0.04 0.64 0.28 0.00 -0.00 0.00 0.00 177.43 178.31 1a8i h LEU 581 N 0.49 0.57 -0.23 0.00 3.38 -0.85 -1.75 115.31 116.92 1a8i h LEU 581 Ca 0.30 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1a8i h LEU 581 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1a8i h LEU 581 CO -0.26 0.43 0.15 -0.74 0.09 0.00 0.00 178.44 178.11 1a8i h HIS 582 N 0.65 0.30 -0.58 1.13 2.76 -0.42 -1.40 115.15 117.58 1a8i h HIS 582 Ca 0.18 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.44 1a8i h HIS 582 Cb -0.05 -0.10 -0.07 0.00 1.55 0.00 0.00 27.41 28.74 1a8i h HIS 582 CO -0.04 0.19 0.20 0.28 -1.30 0.00 0.00 177.93 177.27 1a8i h VAL 583 N 0.31 0.76 -0.14 5.26 2.07 -0.91 0.24 116.25 123.84 1a8i h VAL 583 Ca 0.09 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 1a8i h VAL 583 Cb -0.03 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1a8i h VAL 583 CO -0.02 0.07 -0.39 0.40 0.02 0.00 0.00 177.57 177.65 1a8i h ILE 584 N 0.37 1.30 -0.23 4.57 2.04 -1.17 -1.94 117.51 122.44 1a8i h ILE 584 Ca 0.29 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1a8i h ILE 584 Cb 0.37 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1a8i h ILE 584 CO -0.31 0.45 0.15 0.74 0.00 0.00 0.00 178.15 179.18 1a8i h THR 585 N 0.25 1.06 -0.57 -0.27 2.02 -0.51 0.19 112.91 115.08 1a8i h THR 585 Ca 0.03 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1a8i h THR 585 Cb 0.80 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1a8i h THR 585 CO 0.06 0.06 0.37 -0.07 0.37 0.00 0.00 175.52 176.32 1a8i h LEU 586 N 0.31 0.66 -0.28 2.58 3.38 -0.73 -0.60 115.31 120.64 1a8i h LEU 586 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a8i h LEU 586 Cb -0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1a8i h LEU 586 CO -0.02 0.48 0.18 0.22 0.09 0.00 0.00 178.44 179.40 1a8i h TYR 587 N 0.77 0.35 -0.54 1.13 3.20 -1.05 -1.80 116.97 119.04 1a8i h TYR 587 Ca 0.21 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 1a8i h TYR 587 Cb -0.08 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1a8i h TYR 587 CO -0.03 0.23 0.00 -0.91 -1.64 0.00 0.00 178.16 175.80 1a8i h ASN 588 N 0.37 0.89 -0.62 -2.11 2.35 -0.29 -1.71 115.58 114.46 1a8i h ASN 588 Ca 0.10 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.56 1a8i h ASN 588 Cb -0.04 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1a8i h ASN 588 CO -0.02 0.95 0.16 0.03 -1.65 0.00 0.00 177.43 176.89 1a8i h ARG 589 N 0.85 1.02 -0.17 0.81 3.08 -1.02 -1.66 114.38 117.28 1a8i h ARG 589 Ca 0.16 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1a8i h ARG 589 Cb 0.50 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1a8i h ARG 589 CO 0.02 0.90 0.04 0.82 -1.07 0.00 0.00 179.97 180.69 1a8i h ILE 590 N 0.97 1.20 -0.54 2.04 2.04 -1.06 -1.97 117.51 120.19 1a8i h ILE 590 Ca 0.21 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1a8i h ILE 590 Cb 0.34 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1a8i h ILE 590 CO 0.00 0.19 0.16 0.11 0.00 0.00 0.00 178.15 178.61 1a8i h LYS 591 N 0.08 0.81 -0.47 2.37 1.79 -1.12 -0.65 116.57 119.38 1a8i h LYS 591 Ca 0.05 -0.15 -0.12 0.00 -2.18 0.00 0.00 60.65 58.25 1a8i h LYS 591 Cb 0.25 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1a8i h LYS 591 CO 0.00 0.71 -0.19 0.87 -1.08 0.00 0.00 179.45 179.76 1a8i h LYS 592 N 0.79 0.93 -2.14 3.15 1.57 -1.20 -3.38 116.57 116.28 1a8i h LYS 592 Ca 0.18 -0.38 -0.58 0.00 -1.87 0.00 0.00 60.65 58.01 1a8i h LYS 592 Cb 0.25 -0.04 -0.40 0.00 0.08 0.00 0.00 32.23 32.12 1a8i h LYS 592 CO -0.01 1.03 -0.94 0.39 -0.57 0.00 0.00 179.45 179.35 1a8i n GLU 593 N -4.12 1.15 0.14 3.15 1.02 -0.75 -5.00 120.64 116.24 1a8i n GLU 593 Ca 0.00 -3.63 0.14 0.00 -0.02 0.00 0.00 57.16 53.65 1a8i n GLU 593 Cb 0.44 -1.57 0.67 0.00 -0.02 0.00 0.00 31.44 30.96 1a8i n GLU 593 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1a8i h PRO 594 N 4.30 0.00 -0.00 3.49 0.13 -1.31 -2.22 132.00 136.39 1a8i h PRO 594 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1a8i h PRO 594 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1a8i h PRO 594 CO 0.55 0.00 -0.13 0.09 -0.23 0.00 0.00 178.00 178.28 1a8i n ASN 595 N -4.45 0.15 -4.72 1.44 3.02 -1.26 -4.86 115.26 104.58 1a8i n ASN 595 Ca 0.03 0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 1a8i n ASN 595 Cb 0.32 -0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 1a8i n ASN 595 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1a8i s LYS 596 N -2.96 4.51 0.31 3.52 2.20 -0.84 -5.01 119.74 121.47 1a8i s LYS 596 Ca 0.15 1.17 -0.29 0.00 -0.36 0.00 0.00 55.97 56.64 1a8i s LYS 596 Cb 0.19 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.96 1a8i s LYS 596 CO 0.57 0.04 1.39 0.12 -0.36 0.00 0.00 175.35 177.11 1a8i s PHE 597 N 0.76 2.96 0.03 4.03 5.36 -1.26 -5.03 117.98 124.83 1a8i s PHE 597 Ca 0.45 1.22 0.03 0.00 -0.96 0.00 0.00 56.93 57.66 1a8i s PHE 597 Cb -0.20 -3.79 -0.02 0.00 -0.34 0.00 0.00 43.02 38.67 1a8i s PHE 597 CO 0.24 -2.36 -0.09 0.14 -1.46 0.00 0.00 175.22 171.68 1a8i s VAL 598 N -0.68 0.68 -0.02 3.12 -7.23 -1.26 -5.11 120.40 109.89 1a8i s VAL 598 Ca 0.54 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.61 1a8i s VAL 598 Cb -0.42 -0.66 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 1a8i s VAL 598 CO 0.51 -0.11 1.97 -0.69 -0.31 0.00 0.00 175.10 176.47 1a8i s VAL 599 N -0.84 3.09 0.38 1.32 1.01 -1.26 -4.93 120.40 119.18 1a8i s VAL 599 Ca -0.03 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1a8i s VAL 599 Cb -0.07 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 1a8i s VAL 599 CO 0.00 -0.02 1.43 -2.65 0.00 0.00 0.00 175.10 173.86 1a8i n PRO 600 N 7.71 2.46 -4.06 2.72 -0.02 -1.26 -4.90 135.00 137.65 1a8i n PRO 600 Ca 0.21 0.86 -0.12 0.00 -2.02 0.00 0.00 63.50 62.44 1a8i n PRO 600 Cb 0.42 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.21 1a8i n PRO 600 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1a8i s ARG 601 N -2.12 0.52 -0.35 -0.52 0.52 -0.77 -0.91 118.95 115.32 1a8i s ARG 601 Ca 0.55 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1a8i s ARG 601 Cb -0.49 -0.21 0.09 0.00 0.52 0.00 0.00 34.95 34.86 1a8i s ARG 601 CO 0.62 0.02 0.08 0.99 0.02 0.00 0.00 175.30 177.04 1a8i s THR 602 N -1.64 2.68 -0.28 0.02 2.01 -0.46 -1.67 115.64 116.29 1a8i s THR 602 Ca -0.09 -2.09 -0.18 0.00 0.31 0.00 0.00 61.69 59.64 1a8i s THR 602 Cb -0.08 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1a8i s THR 602 CO -0.01 -0.53 0.53 -0.69 -0.69 0.00 0.00 174.62 173.24 1a8i s VAL 603 N 1.03 5.04 -0.13 3.82 1.01 0.42 -1.56 120.40 130.04 1a8i s VAL 603 Ca 0.07 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 62.85 1a8i s VAL 603 Cb -0.20 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1a8i s VAL 603 CO -0.06 0.00 -0.13 -0.04 0.00 0.00 0.00 175.10 174.88 1a8i s MET 604 N 2.37 3.40 -0.06 2.72 -1.94 0.19 -0.63 119.30 125.35 1a8i s MET 604 Ca 0.22 -0.68 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 1a8i s MET 604 Cb -0.15 -2.64 0.01 0.00 2.01 0.00 0.00 34.83 34.05 1a8i s MET 604 CO 0.10 0.21 -0.15 0.42 -0.01 0.00 0.00 175.02 175.59 1a8i s ILE 605 N 0.35 1.33 0.11 2.53 1.01 -0.67 -1.66 121.20 124.21 1a8i s ILE 605 Ca -0.11 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 1a8i s ILE 605 Cb -0.16 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 1a8i s ILE 605 CO 0.06 0.39 0.18 -0.83 0.00 0.00 0.00 174.94 174.74 1a8i s GLY 606 N 0.39 0.31 0.00 6.18 0.00 -0.74 -0.71 107.32 112.75 1a8i s GLY 606 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1a8i s GLY 606 CO 0.04 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.84 1a8i n GLY 607 N -0.09 3.88 3.90 0.20 0.00 -1.26 -2.50 105.19 109.32 1a8i n GLY 607 Ca -0.12 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 1a8i n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a8i s LYS 608 N -2.62 3.60 -0.12 1.61 1.02 -1.26 -4.66 119.74 117.30 1a8i s LYS 608 Ca 0.00 -0.12 -0.06 0.00 0.02 0.00 0.00 55.97 55.80 1a8i s LYS 608 Cb 0.00 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1a8i s LYS 608 CO 0.00 0.50 0.11 0.00 -0.92 0.00 0.00 175.35 175.04 1a8i s ALA 609 N -1.60 3.74 0.44 5.17 0.00 -1.26 -1.21 121.76 127.04 1a8i s ALA 609 Ca 0.39 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 1a8i s ALA 609 Cb -0.12 -1.90 -0.08 0.00 0.00 0.00 0.00 23.12 21.02 1a8i s ALA 609 CO 0.24 0.56 1.34 0.00 0.00 0.00 0.00 175.76 177.90 1a8i s ALA 610 N -0.83 3.18 0.34 0.00 0.00 -1.26 -4.92 121.76 118.27 1a8i s ALA 610 Ca 0.14 1.30 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 1a8i s ALA 610 Cb -0.12 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 1a8i s ALA 610 CO 0.03 -1.01 1.51 -2.14 0.00 0.00 0.00 175.76 174.16 1a8i s PRO 611 N -2.43 4.13 0.00 0.00 0.02 -1.26 -1.36 135.00 134.11 1a8i s PRO 611 Ca 0.61 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.17 1a8i s PRO 611 Cb -0.40 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1a8i s PRO 611 CO 0.50 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 1a8i n GLY 612 N 1.14 3.28 3.43 0.52 0.00 -1.26 -4.93 105.19 107.37 1a8i n GLY 612 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1a8i n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1a8i s TYR 613 N -2.34 3.30 0.16 1.61 6.14 -0.46 -4.92 117.35 120.84 1a8i s TYR 613 Ca 0.00 -1.62 -0.22 0.00 0.64 0.00 0.00 57.07 55.87 1a8i s TYR 613 Cb 0.00 -4.20 0.05 0.00 0.42 0.00 0.00 41.96 38.23 1a8i s TYR 613 CO 0.00 -1.38 1.62 1.25 0.64 0.00 0.00 175.55 177.67 1a8i h HIS 614 N 8.39 -0.73 -0.96 4.97 -0.00 -1.92 -2.35 115.15 122.55 1a8i h HIS 614 Ca 0.17 0.05 0.02 0.00 -0.00 0.00 0.00 60.37 60.61 1a8i h HIS 614 Cb 1.00 0.37 -0.05 0.00 -0.00 0.00 0.00 27.41 28.73 1a8i h HIS 614 CO 1.13 -0.34 0.64 1.98 -0.00 0.00 0.00 177.93 181.33 1a8i h MET 615 N -0.24 1.24 -0.56 5.26 1.85 -1.98 -0.95 114.93 119.55 1a8i h MET 615 Ca 0.16 -0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 59.13 1a8i h MET 615 Cb 0.49 -0.28 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 1a8i h MET 615 CO -0.47 0.82 0.14 0.00 -0.40 0.00 0.00 176.91 177.01 1a8i h ALA 616 N 1.41 1.21 -0.38 0.39 0.00 -1.81 -0.19 119.26 119.88 1a8i h ALA 616 Ca 0.36 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1a8i h ALA 616 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1a8i h ALA 616 CO -0.09 0.55 -0.19 0.87 0.00 0.00 0.00 179.25 180.39 1a8i h LYS 617 N 0.82 0.73 -0.19 0.00 1.57 -0.79 -2.47 116.57 116.24 1a8i h LYS 617 Ca 0.18 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1a8i h LYS 617 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1a8i h LYS 617 CO -0.00 0.87 -0.41 0.52 -0.57 0.00 0.00 179.45 179.86 1a8i h MET 618 N 0.65 0.45 -0.42 3.15 2.86 -0.78 -2.44 114.93 118.39 1a8i h MET 618 Ca 0.10 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1a8i h MET 618 Cb 0.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1a8i h MET 618 CO 0.05 0.78 0.24 0.82 1.06 0.00 0.00 176.91 179.85 1a8i h ILE 619 N 0.37 1.15 -0.41 -1.22 2.04 -0.60 -0.01 117.51 118.83 1a8i h ILE 619 Ca 0.03 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.56 1a8i h ILE 619 Cb 0.87 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1a8i h ILE 619 CO 0.07 0.16 0.13 0.40 0.00 0.00 0.00 178.15 178.91 1a8i h ILE 620 N 0.55 0.85 -0.50 -0.67 2.04 -1.38 -1.23 117.51 117.18 1a8i h ILE 620 Ca 0.15 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 1a8i h ILE 620 Cb 0.05 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1a8i h ILE 620 CO -0.02 0.05 0.03 0.50 0.00 0.00 0.00 178.15 178.71 1a8i h LYS 621 N 0.28 0.81 -0.84 2.37 1.63 -1.18 -2.30 116.57 117.35 1a8i h LYS 621 Ca 0.19 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1a8i h LYS 621 Cb 0.19 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 1a8i h LYS 621 CO -0.21 0.79 0.39 1.25 -3.45 0.00 0.00 179.45 178.22 1a8i h LEU 622 N 0.76 1.10 -0.25 5.20 5.85 -0.40 -0.66 115.31 126.91 1a8i h LEU 622 Ca 0.15 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1a8i h LEU 622 Cb 0.41 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1a8i h LEU 622 CO 0.01 0.94 0.16 0.40 -0.34 0.00 0.00 178.44 179.61 1a8i h ILE 623 N 1.20 1.06 -0.76 4.05 2.04 -0.72 -0.21 117.51 124.17 1a8i h ILE 623 Ca 0.29 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 1a8i h ILE 623 Cb 0.13 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1a8i h ILE 623 CO -0.03 0.06 0.29 0.71 0.00 0.00 0.00 178.15 179.18 1a8i h THR 624 N 0.33 1.26 -0.53 -0.27 1.35 -1.28 -2.56 112.91 111.21 1a8i h THR 624 Ca 0.09 -0.82 -0.10 0.00 -0.55 0.00 0.00 66.41 65.04 1a8i h THR 624 Cb -0.03 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 66.73 1a8i h THR 624 CO -0.02 0.33 -0.05 0.00 -0.25 0.00 0.00 175.52 175.53 1a8i h ALA 625 N 1.21 0.91 0.00 6.62 0.00 -0.67 -0.38 119.26 126.95 1a8i h ALA 625 Ca 0.25 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1a8i h ALA 625 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1a8i h ALA 625 CO -0.02 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.69 1a8i h ILE 626 N 0.86 1.02 -0.83 0.00 2.04 -0.91 -2.54 117.51 117.15 1a8i h ILE 626 Ca 0.15 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 66.03 1a8i h ILE 626 Cb 0.57 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 1a8i h ILE 626 CO 0.03 0.02 0.47 1.23 0.00 0.00 0.00 178.15 179.91 1a8i h GLY 627 N -0.03 1.29 1.35 5.37 0.00 -1.15 0.17 103.07 110.06 1a8i h GLY 627 Ca -0.00 -0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.09 1a8i h GLY 627 CO 0.00 0.13 0.26 -0.55 0.00 0.00 0.00 176.54 176.38 1a8i h ASP 628 N 0.79 0.12 0.00 0.19 3.32 -0.66 0.50 116.42 120.69 1a8i h ASP 628 Ca 0.40 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.33 1a8i h ASP 628 Cb 0.37 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1a8i h ASP 628 CO -0.25 0.08 -0.75 0.58 -1.72 0.00 0.00 179.24 177.18 1a8i h VAL 629 N 0.14 0.94 -0.42 -1.35 2.07 -0.80 -3.39 116.25 113.44 1a8i h VAL 629 Ca 0.17 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 1a8i h VAL 629 Cb 0.50 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1a8i h VAL 629 CO -0.02 0.32 0.16 0.58 0.02 0.00 0.00 177.57 178.62 1a8i h VAL 630 N -1.00 1.20 0.00 2.57 2.07 -0.48 -2.87 116.25 117.74 1a8i h VAL 630 Ca -0.19 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1a8i h VAL 630 Cb 1.02 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1a8i h VAL 630 CO -0.11 0.23 0.00 0.59 0.02 0.00 0.00 177.57 178.30 1a8i n ASN 631 N -4.62 0.00 -0.23 0.57 3.02 0.14 -2.89 115.26 111.26 1a8i n ASN 631 Ca 0.00 0.42 0.03 0.00 -0.03 0.00 0.00 54.58 54.99 1a8i n ASN 631 Cb 0.16 -0.47 0.06 0.00 -0.61 0.00 0.00 39.78 38.92 1a8i n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1a8i n HIS 632 N -1.47 0.17 -3.05 3.10 8.25 -1.09 -4.99 115.22 116.14 1a8i n HIS 632 Ca 0.06 -0.54 -0.42 0.00 -0.26 0.00 0.00 57.72 56.56 1a8i n HIS 632 Cb 0.24 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 1a8i n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1a8i s ASP 633 N -1.13 6.48 0.52 0.41 -1.08 -1.14 -4.95 116.67 115.78 1a8i s ASP 633 Ca 0.10 0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.61 1a8i s ASP 633 Cb 0.06 -2.36 1.43 0.00 -1.46 0.00 0.00 42.92 40.59 1a8i s ASP 633 CO 0.05 -0.65 2.10 1.55 0.52 0.00 0.00 175.17 178.74 1a8i h PRO 634 N 8.46 0.00 -0.43 4.34 0.13 -1.94 -1.28 132.00 141.28 1a8i h PRO 634 Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 1a8i h PRO 634 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1a8i h PRO 634 CO 0.87 0.10 -0.13 0.28 -0.23 0.00 0.00 178.00 178.88 1a8i h VAL 635 N 0.00 1.26 -0.11 1.56 2.07 -1.97 -3.02 116.25 116.04 1a8i h VAL 635 Ca -0.00 -1.21 -0.15 0.00 0.82 0.00 0.00 66.70 66.15 1a8i h VAL 635 Cb 0.24 1.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1a8i h VAL 635 CO 0.01 0.41 -0.52 0.58 0.02 0.00 0.00 177.57 178.07 1a8i h VAL 636 N 0.72 1.36 0.00 2.57 2.07 -1.61 -3.48 116.25 117.88 1a8i h VAL 636 Ca 0.12 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1a8i h VAL 636 Cb 0.63 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1a8i h VAL 636 CO 0.04 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.80 1a8i n GLY 637 N 0.70 3.97 1.36 2.17 0.00 -0.80 -1.88 105.19 110.72 1a8i n GLY 637 Ca -0.08 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1a8i n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a8i n ASP 638 N 7.04 4.44 0.23 1.61 5.75 -1.26 -4.34 116.55 130.02 1a8i n ASP 638 Ca 0.00 -2.51 0.12 0.00 -0.01 0.00 0.00 54.79 52.39 1a8i n ASP 638 Cb 0.00 -0.53 0.37 0.00 -1.03 0.00 0.00 41.12 39.93 1a8i n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1a8i h ARG 639 N 3.41 0.00 -2.41 0.11 3.08 -1.72 -3.43 114.38 113.41 1a8i h ARG 639 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1a8i h ARG 639 Cb 1.39 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.19 1a8i h ARG 639 CO 0.22 0.10 -0.23 -1.17 -1.07 0.00 0.00 179.97 177.81 1a8i s LEU 640 N -6.33 -0.51 -0.00 3.04 2.96 -1.26 -1.86 118.68 114.72 1a8i s LEU 640 Ca 0.04 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.08 1a8i s LEU 640 Cb 0.07 1.66 -0.01 0.00 0.50 0.00 0.00 46.19 48.42 1a8i s LEU 640 CO 0.63 -0.22 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.78 1a8i s ARG 641 N 1.90 0.51 -0.17 1.98 3.52 -0.67 -4.68 118.95 121.34 1a8i s ARG 641 Ca -0.07 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1a8i s ARG 641 Cb -0.09 -0.48 0.04 0.00 -1.56 0.00 0.00 34.95 32.86 1a8i s ARG 641 CO -0.15 0.13 -0.08 0.08 -0.81 0.00 0.00 175.30 174.47 1a8i s VAL 642 N -0.22 1.31 0.10 7.11 1.01 -1.26 -0.44 120.40 128.02 1a8i s VAL 642 Ca 0.02 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.38 1a8i s VAL 642 Cb -0.03 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1a8i s VAL 642 CO -0.00 0.21 -0.21 0.27 0.00 0.00 0.00 175.10 175.36 1a8i s ILE 643 N 1.55 1.73 -0.25 2.22 -4.36 0.19 -4.44 121.20 117.86 1a8i s ILE 643 Ca 0.01 -1.53 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 1a8i s ILE 643 Cb -0.15 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.95 1a8i s ILE 643 CO -0.08 -0.04 0.23 0.12 0.24 0.00 0.00 174.94 175.41 1a8i s PHE 644 N -1.13 3.30 -0.36 1.37 5.36 -1.26 -1.67 117.98 123.58 1a8i s PHE 644 Ca 0.07 0.29 -0.22 0.00 -0.96 0.00 0.00 56.93 56.11 1a8i s PHE 644 Cb -0.10 -2.37 0.01 0.00 -0.34 0.00 0.00 43.02 40.22 1a8i s PHE 644 CO 0.04 -0.03 0.70 -0.51 -1.46 0.00 0.00 175.22 173.97 1a8i s LEU 645 N 1.36 4.20 0.32 6.12 1.43 0.11 -4.94 118.68 127.28 1a8i s LEU 645 Ca 0.10 0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.15 1a8i s LEU 645 Cb -0.14 -2.89 -0.10 0.00 0.03 0.00 0.00 46.19 43.09 1a8i s LEU 645 CO 0.07 -0.66 1.16 -0.70 0.23 0.00 0.00 176.35 176.45 1a8i s GLU 646 N 2.89 4.46 -1.06 1.70 2.12 -1.26 -4.05 118.70 123.50 1a8i s GLU 646 Ca 0.27 1.90 -0.01 0.00 0.36 0.00 0.00 54.97 57.49 1a8i s GLU 646 Cb -0.14 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1a8i s GLU 646 CO 0.16 0.02 0.89 -1.71 -0.54 0.00 0.00 175.26 174.07 1a8i n ASN 647 N 0.87 -2.63 -4.72 -1.70 5.15 -1.25 -4.92 115.26 106.06 1a8i n ASN 647 Ca 0.00 -0.52 -0.42 0.00 -0.60 0.00 0.00 54.58 53.04 1a8i n ASN 647 Cb 0.44 -4.48 -0.03 0.00 -0.53 0.00 0.00 39.78 35.19 1a8i n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1a8i s TYR 648 N -3.30 2.92 0.08 1.20 5.04 -1.26 -4.87 117.35 117.17 1a8i s TYR 648 Ca 0.08 0.39 -0.27 0.00 -2.44 0.00 0.00 57.07 54.84 1a8i s TYR 648 Cb -0.04 -4.11 0.08 0.00 0.35 0.00 0.00 41.96 38.24 1a8i s TYR 648 CO 0.63 -4.18 0.94 -0.98 -1.34 0.00 0.00 175.55 170.62 1a8i s ARG 649 N 1.12 1.02 0.18 4.97 1.70 -1.26 -4.73 118.95 121.95 1a8i s ARG 649 Ca 0.74 -0.50 -0.14 0.00 -0.47 0.00 0.00 55.73 55.35 1a8i s ARG 649 Cb -0.49 0.39 0.16 0.00 -0.57 0.00 0.00 34.95 34.44 1a8i s ARG 649 CO 0.32 -0.46 1.70 0.28 -1.08 0.00 0.00 175.30 176.06 1a8i h VAL 650 N 2.00 0.69 -0.00 4.99 2.07 -1.96 -1.17 116.25 122.86 1a8i h VAL 650 Ca -0.23 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1a8i h VAL 650 Cb 1.23 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1a8i h VAL 650 CO 0.28 0.03 -0.01 0.77 0.02 0.00 0.00 177.57 178.66 1a8i h SER 651 N 0.16 0.01 0.70 0.57 4.64 -1.97 -1.62 113.55 116.03 1a8i h SER 651 Ca 0.23 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.35 1a8i h SER 651 Cb 0.32 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1a8i h SER 651 CO -0.35 0.02 -0.91 0.25 -0.87 0.00 0.00 176.83 174.97 1a8i h LEU 652 N 0.01 0.17 -0.93 5.97 5.85 -1.73 -3.11 115.31 121.54 1a8i h LEU 652 Ca 0.00 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1a8i h LEU 652 Cb 0.02 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1a8i h LEU 652 CO 0.00 0.99 0.15 0.00 -0.34 0.00 0.00 178.44 179.23 1a8i h ALA 653 N 1.00 1.13 0.00 1.25 0.00 -0.70 0.85 119.26 122.79 1a8i h ALA 653 Ca -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1a8i h ALA 653 Cb 1.56 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1a8i h ALA 653 CO 0.13 0.59 -0.03 0.93 0.00 0.00 0.00 179.25 180.87 1a8i h GLU 654 N 0.89 0.00 0.02 0.00 5.08 -1.25 -1.70 114.58 117.63 1a8i h GLU 654 Ca 0.19 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.25 1a8i h GLU 654 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1a8i h GLU 654 CO -0.00 0.03 -1.69 1.63 -1.00 0.00 0.00 179.01 177.99 1a8i n LYS 655 N -3.18 0.60 0.14 2.33 5.02 -0.52 -4.53 118.16 118.02 1a8i n LYS 655 Ca -0.01 0.45 0.01 0.00 -2.02 0.00 0.00 58.31 56.75 1a8i n LYS 655 Cb 0.25 -1.68 0.11 0.00 -0.02 0.00 0.00 35.03 33.69 1a8i n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1a8i h VAL 656 N -0.83 1.09 -0.33 -0.18 3.04 -0.91 -3.33 116.25 114.82 1a8i h VAL 656 Ca -0.45 -2.23 -0.11 0.00 -1.01 0.00 0.00 66.70 62.91 1a8i h VAL 656 Cb 1.49 2.32 -0.01 0.00 -2.01 0.00 0.00 31.29 33.09 1a8i h VAL 656 CO -0.22 0.56 -0.22 0.40 -1.01 0.00 0.00 177.57 177.09 1a8i h ILE 657 N 0.00 1.29 0.00 3.17 2.04 -1.53 -1.81 117.51 120.68 1a8i h ILE 657 Ca -0.01 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1a8i h ILE 657 Cb 1.28 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1a8i h ILE 657 CO 0.07 0.44 -0.03 -0.65 0.00 0.00 0.00 178.15 177.99 1a8i h PRO 658 N 0.50 0.00 -0.00 2.37 0.11 -1.79 -2.17 132.00 131.01 1a8i h PRO 658 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1a8i h PRO 658 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1a8i h PRO 658 CO 0.06 0.03 -0.28 0.00 -0.21 0.00 0.00 178.00 177.60 1a8i n ALA 659 N -2.14 3.12 -1.79 -0.75 0.00 -0.70 -4.73 120.51 113.51 1a8i n ALA 659 Ca -0.02 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.71 1a8i n ALA 659 Cb 0.19 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 1a8i n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a8i s ALA 660 N -2.63 3.12 -0.25 0.00 0.00 -0.82 -4.60 121.76 116.58 1a8i s ALA 660 Ca 0.21 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 1a8i s ALA 660 Cb 0.19 -3.20 -0.15 0.00 0.00 0.00 0.00 23.12 19.95 1a8i s ALA 660 CO 0.56 0.03 -0.23 -0.25 0.00 0.00 0.00 175.76 175.86 1a8i n ASP 661 N 0.03 2.07 -4.17 0.00 8.00 -0.30 -4.10 116.55 118.08 1a8i n ASP 661 Ca 0.04 -0.06 -0.30 0.00 0.71 0.00 0.00 54.79 55.18 1a8i n ASP 661 Cb 0.51 -0.44 -0.17 0.00 -0.02 0.00 0.00 41.12 41.00 1a8i n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1a8i s LEU 662 N -6.57 1.97 -0.28 0.64 2.96 -0.36 -0.64 118.68 116.40 1a8i s LEU 662 Ca -0.33 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.00 1a8i s LEU 662 Cb 0.09 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 1a8i s LEU 662 CO 0.55 0.13 0.13 -0.55 -1.32 0.00 0.00 176.35 175.28 1a8i s SER 663 N 0.40 5.47 -0.39 3.68 0.15 -0.07 -1.09 113.70 121.85 1a8i s SER 663 Ca -0.17 -0.32 -0.19 0.00 0.70 0.00 0.00 55.95 55.96 1a8i s SER 663 Cb -0.17 -1.99 0.01 0.00 -1.71 0.00 0.00 66.02 62.16 1a8i s SER 663 CO 0.07 -0.11 0.58 -1.61 1.20 0.00 0.00 173.24 173.37 1a8i s GLU 664 N 1.64 3.47 -0.50 5.44 0.41 -0.72 -1.09 118.70 127.35 1a8i s GLU 664 Ca 0.06 -0.24 0.07 0.00 -0.41 0.00 0.00 54.97 54.45 1a8i s GLU 664 Cb -0.16 -3.87 0.24 0.00 -1.78 0.00 0.00 34.13 28.56 1a8i s GLU 664 CO 0.06 -0.81 0.59 1.04 -0.49 0.00 0.00 175.26 175.66 1a8i n GLN 665 N 5.97 1.42 -0.63 1.61 1.13 -0.74 -4.73 117.38 121.41 1a8i n GLN 665 Ca -0.03 -3.84 0.01 0.00 -1.94 0.00 0.00 57.00 51.20 1a8i n GLN 665 Cb 0.48 -1.70 0.22 0.00 0.11 0.00 0.00 30.24 29.35 1a8i n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1a8i n ILE 666 N 1.32 2.42 -1.31 5.09 -5.35 -1.26 -2.38 119.36 117.89 1a8i n ILE 666 Ca 0.25 -2.39 -0.36 0.00 -0.27 0.00 0.00 62.75 59.98 1a8i n ILE 666 Cb 0.47 -0.29 0.09 0.00 -1.74 0.00 0.00 39.64 38.16 1a8i n ILE 666 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1a8i n SER 667 N -0.92 0.12 -4.74 7.28 3.41 -1.25 -4.66 113.62 112.85 1a8i n SER 667 Ca 0.28 0.64 -0.41 0.00 -0.26 0.00 0.00 58.87 59.12 1a8i n SER 667 Cb 0.97 -1.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 1a8i n SER 667 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1a8i s THR 668 N -1.86 2.58 0.13 6.66 2.01 -1.07 -4.69 115.64 119.41 1a8i s THR 668 Ca 0.71 0.48 -0.35 0.00 0.31 0.00 0.00 61.69 62.85 1a8i s THR 668 Cb -0.34 -3.31 -0.16 0.00 0.01 0.00 0.00 72.50 68.70 1a8i s THR 668 CO 0.52 0.07 1.31 0.00 -0.69 0.00 0.00 174.62 175.83 1a8i n ALA 669 N 2.44 -0.58 -0.17 7.40 0.00 -1.26 -1.46 120.51 126.89 1a8i n ALA 669 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1a8i n ALA 669 Cb 0.40 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1a8i n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8i n GLY 670 N 2.42 0.94 0.06 0.00 0.00 -1.26 -4.71 105.19 102.64 1a8i n GLY 670 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1a8i n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a8i n THR 671 N -2.00 0.81 -3.08 2.61 -2.24 -0.53 -4.87 114.28 104.98 1a8i n THR 671 Ca 0.00 -0.55 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 1a8i n THR 671 Cb 0.00 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 1a8i n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a8i s GLU 672 N -2.44 3.61 0.24 -0.78 2.56 -1.26 -4.71 118.70 115.92 1a8i s GLU 672 Ca -0.07 0.02 -0.06 0.00 0.00 0.00 0.00 54.97 54.86 1a8i s GLU 672 Cb 0.05 -3.84 0.28 0.00 2.00 0.00 0.00 34.13 32.62 1a8i s GLU 672 CO 0.58 -0.82 1.88 0.00 -0.56 0.00 0.00 175.26 176.34 1a8i h ALA 673 N 8.56 1.17 0.00 6.30 0.00 -1.89 -2.96 119.26 130.44 1a8i h ALA 673 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1a8i h ALA 673 Cb 1.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1a8i h ALA 673 CO 0.86 0.41 0.00 0.45 0.00 0.00 0.00 179.25 180.97 1a8i n SER 674 N -4.54 -0.53 0.00 0.00 2.88 -1.26 -4.17 113.62 105.99 1a8i n SER 674 Ca 0.11 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1a8i n SER 674 Cb 0.10 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1a8i n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a8i n GLY 675 N 0.90 -0.23 0.00 0.46 0.00 -1.26 -0.58 105.19 104.48 1a8i n GLY 675 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1a8i n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a8i n THR 676 N 0.16 0.00 -0.18 2.61 -2.24 -1.26 -4.77 114.28 108.60 1a8i n THR 676 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1a8i n THR 676 Cb 0.00 -0.02 0.15 0.00 -2.10 0.00 0.00 70.33 68.37 1a8i n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1a8i h GLY 677 N 0.00 1.01 0.10 3.38 0.00 -1.95 -1.74 103.07 103.88 1a8i h GLY 677 Ca 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 47.33 46.87 1a8i h GLY 677 CO 0.00 0.54 0.01 3.45 0.00 0.00 0.00 176.54 180.54 1a8i h ASN 678 N 0.91 -0.22 0.00 0.19 -1.07 -1.94 -1.48 115.58 111.97 1a8i h ASN 678 Ca 0.20 0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.70 1a8i h ASN 678 Cb 0.27 0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.74 1a8i h ASN 678 CO -0.01 -0.08 0.00 0.23 0.07 0.00 0.00 177.43 177.64 1a8i n MET 679 N -5.24 0.28 0.00 4.14 2.81 -0.65 -1.91 117.12 116.54 1a8i n MET 679 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1a8i n MET 679 Cb 0.30 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 1a8i n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1a8i n PHE 681 N 1.35 0.00 -0.27 2.03 3.72 -0.56 -1.67 117.46 122.05 1a8i n PHE 681 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 1a8i n PHE 681 Cb 0.14 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.73 1a8i n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1a8i h MET 682 N 0.00 1.12 0.00 -1.08 4.05 -1.60 -2.43 114.93 114.98 1a8i h MET 682 Ca 0.00 -0.20 -0.04 0.00 -0.28 0.00 0.00 59.70 59.18 1a8i h MET 682 Cb 0.00 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 1a8i h MET 682 CO 0.00 0.91 -0.21 1.25 0.23 0.00 0.00 176.91 179.10 1a8i h LEU 683 N 1.08 0.00 -2.91 3.39 5.85 -1.61 -3.20 115.31 117.91 1a8i h LEU 683 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1a8i h LEU 683 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1a8i h LEU 683 CO -0.02 0.21 0.00 0.59 -0.34 0.00 0.00 178.44 178.88 1a8i n ASN 684 N -3.49 4.44 0.00 1.25 3.02 -0.99 -4.90 115.26 114.59 1a8i n ASN 684 Ca -0.01 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 1a8i n ASN 684 Cb 0.37 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1a8i n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a8i n GLY 685 N 1.21 0.77 3.85 7.41 0.00 -1.15 -4.76 105.19 112.51 1a8i n GLY 685 Ca 0.25 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1a8i n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8i s ALA 686 N -2.00 3.75 0.23 4.61 0.00 -0.95 -4.81 121.76 122.58 1a8i s ALA 686 Ca 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 1a8i s ALA 686 Cb 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1a8i s ALA 686 CO 0.00 0.66 0.42 -0.51 0.00 0.00 0.00 175.76 176.33 1a8i s LEU 687 N -2.76 4.20 -0.11 0.00 1.43 0.19 -4.48 118.68 117.14 1a8i s LEU 687 Ca 0.32 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.80 1a8i s LEU 687 Cb -0.12 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 1a8i s LEU 687 CO 0.25 -0.08 -0.03 -0.89 0.23 0.00 0.00 176.35 175.82 1a8i s THR 688 N -1.94 4.00 -0.22 5.49 2.01 -1.26 -0.89 115.64 122.82 1a8i s THR 688 Ca 0.39 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 1a8i s THR 688 Cb -0.11 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1a8i s THR 688 CO 0.30 0.56 0.03 -0.51 -0.69 0.00 0.00 174.62 174.31 1a8i s ILE 689 N -0.34 4.16 0.16 1.82 2.07 -0.25 -1.19 121.20 127.62 1a8i s ILE 689 Ca 0.06 -0.23 -0.24 0.00 -1.41 0.00 0.00 60.65 58.83 1a8i s ILE 689 Cb -0.12 -2.91 0.06 0.00 0.13 0.00 0.00 42.46 39.62 1a8i s ILE 689 CO 0.02 0.39 0.72 -0.83 -1.91 0.00 0.00 174.94 173.33 1a8i s GLY 690 N 1.25 -0.41 0.57 1.50 0.00 -0.16 -1.79 107.32 108.28 1a8i s GLY 690 Ca 0.04 0.32 -0.04 0.00 0.00 0.00 0.00 44.72 45.05 1a8i s GLY 690 CO 0.02 0.10 0.85 -0.51 0.00 0.00 0.00 173.10 173.56 1a8i s THR 691 N -3.64 3.39 -1.29 0.90 -4.23 -1.00 -1.50 115.64 108.26 1a8i s THR 691 Ca 0.06 -0.25 -0.18 0.00 -1.18 0.00 0.00 61.69 60.13 1a8i s THR 691 Cb -0.02 -3.33 0.05 0.00 1.34 0.00 0.00 72.50 70.54 1a8i s THR 691 CO -0.05 -0.30 1.81 0.23 -0.54 0.00 0.00 174.62 175.77 1a8i n MET 692 N -2.48 2.97 -3.96 3.99 2.81 -1.26 -4.69 117.12 114.50 1a8i n MET 692 Ca 0.05 -3.11 -0.11 0.00 -1.81 0.00 0.00 57.70 52.72 1a8i n MET 692 Cb 0.58 -3.50 -0.12 0.00 -0.71 0.00 0.00 33.22 29.47 1a8i n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1a8i s ASP 693 N 4.40 0.22 0.81 7.83 2.15 -1.26 -4.56 116.67 126.25 1a8i s ASP 693 Ca 0.55 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1a8i s ASP 693 Cb 0.04 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 1a8i s ASP 693 CO 0.07 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 1a8i n GLY 694 N 2.14 1.99 0.00 2.66 0.00 -1.12 -1.43 105.19 109.44 1a8i n GLY 694 Ca -0.19 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.48 1a8i n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8i n ALA 695 N 6.76 2.05 -0.26 4.61 0.00 0.25 -3.13 120.51 130.78 1a8i n ALA 695 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1a8i n ALA 695 Cb 0.00 -1.35 0.40 0.00 0.00 0.00 0.00 19.45 18.49 1a8i n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1a8i h ASN 696 N 0.00 0.62 -0.34 0.00 2.35 -1.42 0.01 115.58 116.80 1a8i h ASN 696 Ca 0.00 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1a8i h ASN 696 Cb 0.32 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1a8i h ASN 696 CO 0.00 0.30 0.21 0.58 -1.65 0.00 0.00 177.43 176.87 1a8i h VAL 697 N 0.65 1.11 -0.10 2.81 2.07 -1.62 -0.33 116.25 120.84 1a8i h VAL 697 Ca 0.45 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.62 1a8i h VAL 697 Cb 0.78 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1a8i h VAL 697 CO -0.20 0.11 -0.42 -0.33 0.02 0.00 0.00 177.57 176.75 1a8i h GLU 698 N 0.44 0.22 -0.22 1.57 5.08 -1.44 -1.53 114.58 118.70 1a8i h GLU 698 Ca 0.12 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1a8i h GLU 698 Cb -0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1a8i h GLU 698 CO -0.02 0.61 0.05 0.52 -1.00 0.00 0.00 179.01 179.17 1a8i h MET 699 N 0.19 0.35 -0.60 2.33 2.86 -0.73 0.32 114.93 119.65 1a8i h MET 699 Ca 0.02 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1a8i h MET 699 Cb 0.82 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1a8i h MET 699 CO 0.06 0.47 0.29 0.00 1.06 0.00 0.00 176.91 178.79 1a8i h ALA 700 N 0.87 1.39 -0.09 6.32 0.00 -1.00 -0.94 119.26 125.80 1a8i h ALA 700 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1a8i h ALA 700 Cb 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a8i h ALA 700 CO 0.00 0.48 0.04 1.49 0.00 0.00 0.00 179.25 181.26 1a8i h GLU 701 N 0.84 0.13 -0.72 0.00 4.81 -0.97 0.16 114.58 118.83 1a8i h GLU 701 Ca 0.21 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1a8i h GLU 701 Cb 0.08 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1a8i h GLU 701 CO -0.03 0.25 0.32 0.93 -0.73 0.00 0.00 179.01 179.75 1a8i h GLU 702 N -0.02 1.06 0.00 1.92 4.39 -0.37 -3.17 114.58 118.39 1a8i h GLU 702 Ca 0.03 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1a8i h GLU 702 Cb 0.17 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1a8i h GLU 702 CO -0.00 0.85 -0.77 0.00 -1.16 0.00 0.00 179.01 177.93 1a8i h ALA 703 N 1.15 0.64 -0.00 3.43 0.00 -1.12 -3.47 119.26 119.90 1a8i h ALA 703 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a8i h ALA 703 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a8i h ALA 703 CO -0.03 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1a8i n GLY 704 N 1.18 1.54 0.32 0.00 0.00 0.55 -4.61 105.19 104.16 1a8i n GLY 704 Ca 0.00 -1.31 0.17 0.00 0.00 0.00 0.00 46.02 44.88 1a8i n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a8i h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.82 0.10 114.58 119.55 1a8i h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a8i h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a8i h GLU 705 CO 0.00 0.00 0.00 1.05 -1.00 0.00 0.00 179.01 179.06 1a8i h GLU 706 N 0.00 0.00 -0.62 2.33 9.09 -1.89 -2.10 114.58 121.39 1a8i h GLU 706 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 1a8i h GLU 706 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1a8i h GLU 706 CO -0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1a8i n ASN 707 N -2.45 5.12 -4.20 3.06 3.02 0.35 -4.93 115.26 115.23 1a8i n ASN 707 Ca 0.01 -2.64 -0.14 0.00 -0.03 0.00 0.00 54.58 51.78 1a8i n ASN 707 Cb 0.18 -0.62 -0.10 0.00 -0.61 0.00 0.00 39.78 38.63 1a8i n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1a8i s PHE 708 N -2.20 1.11 -0.93 3.10 0.40 -0.79 -4.75 117.98 113.91 1a8i s PHE 708 Ca 0.52 -0.74 -0.02 0.00 -0.60 0.00 0.00 56.93 56.10 1a8i s PHE 708 Cb 0.36 -0.59 0.24 0.00 0.51 0.00 0.00 43.02 43.54 1a8i s PHE 708 CO 0.21 0.00 0.92 1.19 0.70 0.00 0.00 175.22 178.24 1a8i n PHE 709 N 0.19 4.12 -2.81 0.36 3.72 -0.33 -4.99 117.46 117.71 1a8i n PHE 709 Ca -0.13 -3.93 -0.41 0.00 -0.05 0.00 0.00 57.45 52.93 1a8i n PHE 709 Cb 0.59 -1.19 -0.04 0.00 -0.94 0.00 0.00 39.48 37.90 1a8i n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1a8i s ILE 710 N -1.63 4.66 0.25 4.37 -1.09 -1.26 -0.99 121.20 125.51 1a8i s ILE 710 Ca 0.30 1.92 -0.01 0.00 -2.23 0.00 0.00 60.65 60.63 1a8i s ILE 710 Cb -0.04 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1a8i s ILE 710 CO -0.08 0.30 0.25 0.72 -1.23 0.00 0.00 174.94 174.89 1a8i s PHE 711 N 0.21 1.18 0.00 3.97 -0.71 -0.56 -4.93 117.98 117.14 1a8i s PHE 711 Ca 0.45 -1.35 0.00 0.00 -1.04 0.00 0.00 56.93 54.99 1a8i s PHE 711 Cb -0.22 -0.45 0.00 0.00 -1.21 0.00 0.00 43.02 41.14 1a8i s PHE 711 CO 0.27 -0.79 0.00 0.41 -1.34 0.00 0.00 175.22 173.77 1a8i n GLY 712 N -0.40 -2.34 3.66 1.99 0.00 -1.26 -4.30 105.19 102.55 1a8i n GLY 712 Ca 0.03 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1a8i n GLY 712 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a8i n MET 713 N -0.96 1.71 -2.55 1.61 2.81 -1.26 -4.91 117.12 113.57 1a8i n MET 713 Ca 0.00 0.61 -0.23 0.00 -1.81 0.00 0.00 57.70 56.26 1a8i n MET 713 Cb 0.00 -2.21 0.09 0.00 -0.71 0.00 0.00 33.22 30.39 1a8i n MET 713 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1a8i s ARG 714 N -2.03 1.92 0.26 0.03 3.00 -1.26 -4.48 118.95 116.38 1a8i s ARG 714 Ca 0.61 -0.93 -0.05 0.00 0.00 0.00 0.00 55.73 55.35 1a8i s ARG 714 Cb -0.55 -2.35 0.30 0.00 0.00 0.00 0.00 34.95 32.36 1a8i s ARG 714 CO 0.58 -1.26 1.93 0.28 0.00 0.00 0.00 175.30 176.83 1a8i h VAL 715 N -0.40 1.23 -0.78 3.52 2.07 -1.84 -0.43 116.25 119.61 1a8i h VAL 715 Ca -0.39 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1a8i h VAL 715 Cb 1.28 -0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1a8i h VAL 715 CO 0.45 0.24 0.52 1.05 0.02 0.00 0.00 177.57 179.85 1a8i h GLU 716 N 1.31 0.96 -0.33 1.57 4.11 -1.96 -0.92 114.58 119.33 1a8i h GLU 716 Ca 0.37 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.67 1a8i h GLU 716 Cb -0.10 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.92 1a8i h GLU 716 CO -0.09 0.64 -0.10 -0.44 0.07 0.00 0.00 179.01 179.09 1a8i h ASP 717 N 0.99 0.65 -0.66 3.06 3.32 -1.49 -1.49 116.42 120.81 1a8i h ASP 717 Ca 0.31 -0.37 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1a8i h ASP 717 Cb -0.00 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 1a8i h ASP 717 CO -0.08 0.88 0.42 0.58 -1.72 0.00 0.00 179.24 179.32 1a8i h VAL 718 N 0.42 1.13 -0.91 -1.35 2.07 -0.55 -1.59 116.25 115.47 1a8i h VAL 718 Ca 0.08 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1a8i h VAL 718 Cb 0.60 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1a8i h VAL 718 CO 0.04 0.16 0.52 0.44 0.02 0.00 0.00 177.57 178.74 1a8i h ASP 719 N 0.85 1.12 -0.49 0.57 3.32 -1.12 -0.48 116.42 120.18 1a8i h ASP 719 Ca 0.25 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1a8i h ASP 719 Cb -0.05 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 1a8i h ASP 719 CO -0.08 0.88 0.09 0.03 -1.72 0.00 0.00 179.24 178.44 1a8i h ARG 720 N 1.26 0.86 -0.47 3.56 3.08 -0.67 0.37 114.38 122.37 1a8i h ARG 720 Ca 0.32 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 1a8i h ARG 720 Cb -0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1a8i h ARG 720 CO -0.06 0.80 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.35 1a8i h LEU 721 N 0.82 1.01 -0.82 3.04 3.38 -0.83 -2.62 115.31 119.30 1a8i h LEU 721 Ca 0.17 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1a8i h LEU 721 Cb 0.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1a8i h LEU 721 CO 0.01 1.19 0.11 0.44 0.09 0.00 0.00 178.44 180.27 1a8i h ASP 722 N 0.85 0.95 -0.48 -0.43 3.32 -0.38 0.33 116.42 120.58 1a8i h ASP 722 Ca 0.11 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1a8i h ASP 722 Cb 0.81 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1a8i h ASP 722 CO 0.07 0.94 0.24 1.56 -1.72 0.00 0.00 179.24 180.33 1a8i h GLN 723 N 0.94 0.73 0.00 3.56 4.20 -0.77 -3.03 115.11 120.74 1a8i h GLN 723 Ca 0.19 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1a8i h GLN 723 Cb 0.40 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1a8i h GLN 723 CO 0.01 0.57 -1.09 2.89 -0.67 0.00 0.00 178.83 180.54 1a8i n ARG 724 N -4.37 0.31 0.00 1.46 1.85 -1.00 -5.06 116.66 109.84 1a8i n ARG 724 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 1a8i n ARG 724 Cb 0.13 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 1a8i n ARG 724 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a8i n GLY 725 N 1.46 1.37 3.65 2.89 0.00 0.11 -5.00 105.19 109.67 1a8i n GLY 725 Ca 0.03 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1a8i n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1a8i s TYR 726 N 0.00 3.02 -0.44 1.61 5.04 -1.20 -4.87 117.35 120.52 1a8i s TYR 726 Ca 0.00 1.14 0.03 0.00 -2.44 0.00 0.00 57.07 55.80 1a8i s TYR 726 Cb 0.00 -3.61 0.12 0.00 0.35 0.00 0.00 41.96 38.82 1a8i s TYR 726 CO 0.00 -1.13 0.18 1.21 -1.34 0.00 0.00 175.55 174.46 1a8i s ASN 727 N 1.89 4.69 0.50 4.32 2.47 -1.26 -4.96 114.94 122.58 1a8i s ASN 727 Ca 0.50 -2.53 0.17 0.00 0.42 0.00 0.00 52.86 51.42 1a8i s ASN 727 Cb -0.16 -1.67 1.23 0.00 -1.45 0.00 0.00 41.25 39.20 1a8i s ASN 727 CO 0.15 -0.34 2.11 0.00 -3.72 0.00 0.00 177.10 175.30 1a8i h ALA 728 N 7.19 1.87 -0.70 1.71 0.00 -1.87 -2.27 119.26 125.19 1a8i h ALA 728 Ca -0.06 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1a8i h ALA 728 Cb 0.97 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1a8i h ALA 728 CO 0.62 0.07 0.46 0.37 0.00 0.00 0.00 179.25 180.77 1a8i h GLN 729 N 0.00 0.61 -0.82 0.00 5.75 -1.91 -1.78 115.11 116.96 1a8i h GLN 729 Ca -0.00 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1a8i h GLN 729 Cb 0.10 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.46 1a8i h GLN 729 CO 0.01 0.40 0.52 1.49 -2.65 0.00 0.00 178.83 178.61 1a8i h GLU 730 N 0.63 0.99 -0.26 1.69 4.81 -1.82 0.11 114.58 120.73 1a8i h GLU 730 Ca 0.32 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1a8i h GLU 730 Cb 0.41 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1a8i h GLU 730 CO -0.11 0.66 -0.27 1.88 -0.73 0.00 0.00 179.01 180.44 1a8i h TYR 731 N 1.02 0.78 -0.75 0.92 -1.99 -1.48 -1.93 116.97 113.55 1a8i h TYR 731 Ca 0.32 -0.24 0.08 0.00 2.00 0.00 0.00 58.73 60.89 1a8i h TYR 731 Cb -0.00 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 38.50 1a8i h TYR 731 CO -0.03 0.97 0.42 -0.92 -0.00 0.00 0.00 178.16 178.60 1a8i h TYR 732 N 0.37 0.77 0.00 4.88 5.03 -1.21 -1.30 116.97 125.50 1a8i h TYR 732 Ca 0.04 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.28 1a8i h TYR 732 Cb 0.84 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 1a8i h TYR 732 CO 0.08 0.34 -0.47 -0.44 -1.32 0.00 0.00 178.16 176.35 1a8i h ASP 733 N 0.74 0.00 0.17 -2.11 3.32 -0.62 -3.28 116.42 114.65 1a8i h ASP 733 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1a8i h ASP 733 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1a8i h ASP 733 CO -0.21 0.47 -0.87 0.54 -1.72 0.00 0.00 179.24 177.44 1a8i n ARG 734 N -3.91 0.03 -3.95 3.56 1.74 -0.74 -4.80 116.66 108.58 1a8i n ARG 734 Ca -0.01 -0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 1a8i n ARG 734 Cb 0.50 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 1a8i n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a8i s ILE 735 N -3.02 2.17 0.27 0.55 1.01 -0.53 -5.00 121.20 116.66 1a8i s ILE 735 Ca 0.08 -2.58 -0.01 0.00 0.00 0.00 0.00 60.65 58.15 1a8i s ILE 735 Cb 0.16 -2.57 0.29 0.00 0.01 0.00 0.00 42.46 40.35 1a8i s ILE 735 CO 0.82 -0.69 1.66 -0.65 0.00 0.00 0.00 174.94 176.07 1a8i h PRO 736 N 7.24 0.21 -0.34 2.79 0.11 -1.87 -1.59 132.00 138.56 1a8i h PRO 736 Ca -0.06 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 1a8i h PRO 736 Cb 0.97 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1a8i h PRO 736 CO 0.57 0.14 -0.12 0.93 -0.21 0.00 0.00 178.00 179.30 1a8i h GLU 737 N 0.22 0.59 -0.07 1.05 5.08 -1.95 -1.86 114.58 117.63 1a8i h GLU 737 Ca 0.50 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1a8i h GLU 737 Cb 0.96 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1a8i h GLU 737 CO -0.62 0.70 -0.01 1.25 -1.00 0.00 0.00 179.01 179.33 1a8i h LEU 738 N 0.54 0.13 -0.70 1.33 5.85 -1.70 -2.99 115.31 117.77 1a8i h LEU 738 Ca 0.10 -0.35 0.13 0.00 0.84 0.00 0.00 57.88 58.60 1a8i h LEU 738 Cb 0.53 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1a8i h LEU 738 CO 0.03 0.44 0.25 -0.09 -0.34 0.00 0.00 178.44 178.74 1a8i h ARG 739 N -0.19 0.38 -0.71 1.25 2.43 -1.22 -0.50 114.38 115.83 1a8i h ARG 739 Ca 0.02 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1a8i h ARG 739 Cb 0.39 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 1a8i h ARG 739 CO 0.01 0.25 0.33 0.37 -1.51 0.00 0.00 179.97 179.42 1a8i h GLN 740 N 0.40 0.54 -0.25 0.20 4.15 -1.28 -0.59 115.11 118.27 1a8i h GLN 740 Ca 0.38 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.65 1a8i h GLN 740 Cb 0.56 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1a8i h GLN 740 CO -0.39 0.35 -0.30 0.82 -1.93 0.00 0.00 178.83 177.38 1a8i h ILE 741 N 0.55 1.31 -0.88 2.39 2.04 -1.00 -1.66 117.51 120.27 1a8i h ILE 741 Ca 0.36 -1.48 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1a8i h ILE 741 Cb 0.42 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1a8i h ILE 741 CO -0.30 0.47 0.53 0.40 0.00 0.00 0.00 178.15 179.25 1a8i h ILE 742 N 0.36 1.24 -0.58 -0.67 1.08 -1.01 -1.01 117.51 116.92 1a8i h ILE 742 Ca 0.03 -0.53 -0.07 0.00 -0.39 0.00 0.00 64.86 63.90 1a8i h ILE 742 Cb 0.87 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1a8i h ILE 742 CO 0.07 0.25 0.06 -0.33 -0.69 0.00 0.00 178.15 177.52 1a8i h GLU 743 N 1.21 0.95 -0.09 2.37 4.39 -1.06 -0.03 114.58 122.32 1a8i h GLU 743 Ca 0.32 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.79 1a8i h GLU 743 Cb -0.05 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1a8i h GLU 743 CO -0.06 0.90 -0.05 1.96 -1.16 0.00 0.00 179.01 180.60 1a8i h GLN 744 N 0.89 -0.04 -0.19 2.33 4.20 -0.59 -1.37 115.11 120.34 1a8i h GLN 744 Ca 0.18 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1a8i h GLN 744 Cb 0.43 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1a8i h GLN 744 CO 0.01 -0.02 0.11 -0.07 -0.67 0.00 0.00 178.83 178.19 1a8i h LEU 745 N -0.04 0.18 -0.73 1.46 3.38 -0.99 -0.72 115.31 117.86 1a8i h LEU 745 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1a8i h LEU 745 Cb 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1a8i h LEU 745 CO -0.12 0.14 -0.34 0.28 0.09 0.00 0.00 178.44 178.49 1a8i h SER 746 N 0.23 0.61 0.11 -0.43 0.02 -0.92 -3.19 113.55 110.00 1a8i h SER 746 Ca 0.07 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1a8i h SER 746 Cb -0.01 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1a8i h SER 746 CO -0.03 0.91 -0.06 -1.54 -1.14 0.00 0.00 176.83 174.96 1a8i n SER 747 N -4.06 0.89 0.00 3.07 3.41 -0.53 -4.71 113.62 111.69 1a8i n SER 747 Ca -0.01 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1a8i n SER 747 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1a8i n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a8i n GLY 748 N 1.19 0.80 0.34 5.00 0.00 -1.09 -4.88 105.19 106.55 1a8i n GLY 748 Ca 0.18 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1a8i n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1a8i h PHE 749 N 0.00 0.45 -0.71 1.61 3.57 -1.38 -0.76 116.94 119.71 1a8i h PHE 749 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1a8i h PHE 749 Cb 0.00 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1a8i h PHE 749 CO 0.00 0.23 0.00 1.19 -2.23 0.00 0.00 178.31 177.50 1a8i n PHE 750 N -4.47 1.19 -2.80 0.41 3.72 -1.26 -4.54 117.46 109.71 1a8i n PHE 750 Ca 0.08 -0.54 -0.10 0.00 -0.05 0.00 0.00 57.45 56.84 1a8i n PHE 750 Cb 0.31 -0.09 0.07 0.00 -0.94 0.00 0.00 39.48 38.83 1a8i n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1a8i n SER 751 N 1.48 -1.85 -0.02 4.37 3.41 -0.39 -4.76 113.62 115.85 1a8i n SER 751 Ca 0.25 -3.60 0.17 0.00 -0.26 0.00 0.00 58.87 55.44 1a8i n SER 751 Cb 0.73 1.53 0.62 0.00 -0.26 0.00 0.00 64.21 66.84 1a8i n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1a8i h PRO 752 N 3.01 0.13 -0.00 4.33 0.13 -1.53 -0.80 132.00 137.27 1a8i h PRO 752 Ca -0.07 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1a8i h PRO 752 Cb 1.08 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1a8i h PRO 752 CO 0.19 0.09 -0.12 1.63 -0.23 0.00 0.00 178.00 179.56 1a8i n LYS 753 N -4.42 0.03 -2.98 0.86 5.02 -1.26 -4.24 118.16 111.18 1a8i n LYS 753 Ca 0.10 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 1a8i n LYS 753 Cb 0.52 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1a8i n LYS 753 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1a8i n GLN 754 N -1.48 0.56 0.06 1.97 7.27 -0.34 -5.03 117.38 120.40 1a8i n GLN 754 Ca 0.07 -2.43 0.20 0.00 0.07 0.00 0.00 57.00 54.91 1a8i n GLN 754 Cb 0.33 -1.46 0.73 0.00 2.41 0.00 0.00 30.24 32.25 1a8i n GLN 754 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1a8i h PRO 755 N 4.67 0.00 -0.69 3.69 0.13 -1.65 -1.41 132.00 136.74 1a8i h PRO 755 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1a8i h PRO 755 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1a8i h PRO 755 CO 0.26 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.63 1a8i n ASP 756 N -4.06 4.03 -0.32 1.44 5.75 -1.26 -2.93 116.55 119.19 1a8i n ASP 756 Ca 0.08 -2.14 0.12 0.00 -0.01 0.00 0.00 54.79 52.84 1a8i n ASP 756 Cb 0.57 -0.50 0.30 0.00 -1.03 0.00 0.00 41.12 40.46 1a8i n ASP 756 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1a8i h LEU 757 N 4.06 0.59 -3.17 -2.12 5.85 -1.58 -1.52 115.31 117.43 1a8i h LEU 757 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1a8i h LEU 757 Cb 1.09 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1a8i h LEU 757 CO 0.07 0.17 0.00 0.49 -0.34 0.00 0.00 178.44 178.83 1a8i n PHE 758 N -4.88 1.70 -0.15 1.25 3.72 -1.26 -4.51 117.46 113.32 1a8i n PHE 758 Ca 0.22 -0.62 0.10 0.00 -0.05 0.00 0.00 57.45 57.10 1a8i n PHE 758 Cb 0.58 -0.37 0.43 0.00 -0.94 0.00 0.00 39.48 39.18 1a8i n PHE 758 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1a8i h LYS 759 N 3.79 0.57 -0.31 -1.08 2.10 -1.58 -1.37 116.57 118.69 1a8i h LYS 759 Ca 0.00 -0.03 -0.16 0.00 -2.00 0.00 0.00 60.65 58.45 1a8i h LYS 759 Cb 1.65 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.85 1a8i h LYS 759 CO 0.35 0.38 -0.46 -0.44 -2.00 0.00 0.00 179.45 177.27 1a8i h ASP 760 N 0.58 0.89 -0.54 7.07 3.32 -1.83 -0.44 116.42 125.47 1a8i h ASP 760 Ca 0.31 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1a8i h ASP 760 Cb 0.46 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1a8i h ASP 760 CO -0.10 1.21 0.20 0.40 -1.72 0.00 0.00 179.24 179.23 1a8i h ILE 761 N 0.65 1.22 -0.38 0.35 2.04 -1.61 -2.34 117.51 117.44 1a8i h ILE 761 Ca 0.04 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1a8i h ILE 761 Cb 1.04 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1a8i h ILE 761 CO 0.10 0.27 0.21 0.58 0.00 0.00 0.00 178.15 179.31 1a8i h VAL 762 N 0.73 1.14 -0.51 1.67 2.07 -1.25 -1.47 116.25 118.64 1a8i h VAL 762 Ca 0.18 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1a8i h VAL 762 Cb 0.22 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1a8i h VAL 762 CO -0.01 0.15 0.27 -1.13 0.02 0.00 0.00 177.57 176.86 1a8i h ASN 763 N 0.49 0.40 0.05 0.57 -1.24 -0.99 -0.27 115.58 114.59 1a8i h ASN 763 Ca 0.13 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1a8i h ASN 763 Cb 0.04 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 1a8i h ASN 763 CO -0.02 0.28 -0.04 -0.03 -1.29 0.00 0.00 177.43 176.33 1a8i h MET 764 N 0.53 -0.08 -0.59 6.67 4.05 -1.23 0.18 114.93 124.46 1a8i h MET 764 Ca 0.22 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.69 1a8i h MET 764 Cb 0.10 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 1a8i h MET 764 CO -0.14 -0.06 0.34 -0.07 0.23 0.00 0.00 176.91 177.21 1a8i h LEU 765 N -0.09 0.53 0.02 3.39 3.38 -1.05 0.12 115.31 121.62 1a8i h LEU 765 Ca -0.00 0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 1a8i h LEU 765 Cb 0.08 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.75 1a8i h LEU 765 CO -0.00 0.36 -1.14 0.24 0.09 0.00 0.00 178.44 177.99 1a8i h MET 766 N 0.66 0.49 0.00 1.13 2.86 -0.93 -3.41 114.93 115.72 1a8i h MET 766 Ca 0.25 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1a8i h MET 766 Cb 0.09 0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1a8i h MET 766 CO -0.14 1.26 -0.60 0.72 1.06 0.00 0.00 176.91 179.21 1a8i n HIS 767 N -3.73 0.00 -2.75 -0.22 8.25 0.63 -4.30 115.22 113.10 1a8i n HIS 767 Ca -0.10 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.31 1a8i n HIS 767 Cb 0.94 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.09 1a8i n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1a8i n HIS 768 N -1.07 1.26 -3.13 4.41 8.25 0.30 -5.01 115.22 120.24 1a8i n HIS 768 Ca 0.00 -2.43 -0.44 0.00 -0.26 0.00 0.00 57.72 54.59 1a8i n HIS 768 Cb 0.00 -0.29 -0.06 0.00 1.12 0.00 0.00 29.99 30.76 1a8i n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1a8i s ASP 769 N -3.51 6.23 0.51 0.41 2.15 -0.44 -4.84 116.67 117.19 1a8i s ASP 769 Ca 0.28 -0.89 0.32 0.00 0.43 0.00 0.00 52.55 52.69 1a8i s ASP 769 Cb 0.38 -2.30 1.31 0.00 -0.30 0.00 0.00 42.92 42.01 1a8i s ASP 769 CO -0.01 -0.93 1.95 0.03 -0.17 0.00 0.00 175.17 176.04 1a8i h ARG 770 N 9.03 0.00 -0.47 4.34 3.08 -1.97 -3.18 114.38 125.22 1a8i h ARG 770 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1a8i h ARG 770 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1a8i h ARG 770 CO 0.98 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.07 1a8i n PHE 771 N -2.96 0.62 -3.70 3.04 3.72 -1.26 -5.03 117.46 111.88 1a8i n PHE 771 Ca 0.01 -0.41 -0.22 0.00 -0.05 0.00 0.00 57.45 56.78 1a8i n PHE 771 Cb 0.29 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.86 1a8i n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1a8i n LYS 772 N 1.12 -4.54 -0.17 -1.08 5.02 -1.20 -4.75 118.16 112.56 1a8i n LYS 772 Ca 0.17 0.61 -0.04 0.00 -2.02 0.00 0.00 58.31 57.03 1a8i n LYS 772 Cb 0.52 -5.10 0.06 0.00 -0.02 0.00 0.00 35.03 30.49 1a8i n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a8i h VAL 773 N -1.84 0.92 0.00 -0.18 2.07 -1.94 -1.89 116.25 113.39 1a8i h VAL 773 Ca -0.62 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1a8i h VAL 773 Cb 1.36 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1a8i h VAL 773 CO 0.56 0.09 -0.27 -0.26 0.02 0.00 0.00 177.57 177.71 1a8i h PHE 774 N 0.47 0.00 0.00 1.57 0.04 -1.91 -2.90 116.94 114.21 1a8i h PHE 774 Ca 0.24 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 1a8i h PHE 774 Cb 0.18 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 1a8i h PHE 774 CO -0.12 0.27 -0.16 0.00 -0.60 0.00 0.00 178.31 177.70 1a8i h ALA 775 N 1.73 1.21 -0.18 2.45 0.00 -1.71 -2.38 119.26 120.38 1a8i h ALA 775 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a8i h ALA 775 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1a8i h ALA 775 CO 0.03 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.23 1a8i n ASP 776 N -3.58 2.66 0.22 0.00 8.00 -1.10 -4.73 116.55 118.03 1a8i n ASP 776 Ca -0.01 -1.78 -0.15 0.00 0.71 0.00 0.00 54.79 53.56 1a8i n ASP 776 Cb 0.30 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.21 1a8i n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1a8i h TYR 777 N 3.08 -0.79 -0.18 1.24 3.20 -1.37 -0.39 116.97 121.76 1a8i h TYR 777 Ca 0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1a8i h TYR 777 Cb 0.72 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 1a8i h TYR 777 CO 0.11 -0.44 0.08 0.93 -1.64 0.00 0.00 178.16 177.20 1a8i h GLU 778 N -0.66 0.18 0.00 1.82 5.08 -1.85 -0.62 114.58 118.52 1a8i h GLU 778 Ca -0.03 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1a8i h GLU 778 Cb 0.58 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1a8i h GLU 778 CO -0.02 0.12 -0.38 0.93 -1.00 0.00 0.00 179.01 178.65 1a8i h GLU 779 N 0.18 0.00 -0.07 2.33 4.39 -1.88 -2.10 114.58 117.44 1a8i h GLU 779 Ca 0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1a8i h GLU 779 Cb 0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1a8i h GLU 779 CO -0.06 0.38 0.01 -0.92 -1.16 0.00 0.00 179.01 177.26 1a8i h TYR 780 N 0.00 0.12 -0.51 4.33 3.20 -0.51 -0.27 116.97 123.33 1a8i h TYR 780 Ca -0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1a8i h TYR 780 Cb 0.80 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1a8i h TYR 780 CO 0.00 0.34 0.10 0.28 -1.64 0.00 0.00 178.16 177.24 1a8i h VAL 781 N -0.13 1.22 -0.56 1.81 2.07 -0.99 -0.91 116.25 118.77 1a8i h VAL 781 Ca 0.02 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 1a8i h VAL 781 Cb 0.28 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1a8i h VAL 781 CO 0.00 0.30 -0.05 0.11 0.02 0.00 0.00 177.57 177.95 1a8i h LYS 782 N 0.75 1.02 -0.65 1.57 1.57 -1.26 -2.07 116.57 117.51 1a8i h LYS 782 Ca 0.16 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1a8i h LYS 782 Cb 0.31 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1a8i h LYS 782 CO 0.00 1.03 0.14 0.00 -0.57 0.00 0.00 179.45 180.06 1a8i h GLN 784 N 0.97 0.70 -0.29 0.00 1.08 -0.83 -0.88 115.11 115.86 1a8i h GLN 784 Ca 0.20 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.25 1a8i h GLN 784 Cb 0.39 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1a8i h GLN 784 CO 0.01 0.46 -0.28 0.93 -0.95 0.00 0.00 178.83 179.00 1a8i h GLU 785 N 0.72 0.59 -0.46 1.46 5.08 -0.72 -2.26 114.58 118.99 1a8i h GLU 785 Ca 0.20 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1a8i h GLU 785 Cb -0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1a8i h GLU 785 CO -0.05 0.81 -0.01 0.00 -1.00 0.00 0.00 179.01 178.76 1a8i h ARG 786 N 0.51 0.77 0.19 2.33 3.08 -0.82 -1.65 114.38 118.80 1a8i h ARG 786 Ca 0.07 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1a8i h ARG 786 Cb 0.75 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1a8i h ARG 786 CO 0.06 0.79 -0.24 0.28 -1.07 0.00 0.00 179.97 179.79 1a8i h VAL 787 N 0.72 0.48 -0.60 2.04 2.07 -0.93 -1.76 116.25 118.27 1a8i h VAL 787 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1a8i h VAL 787 Cb 0.46 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1a8i h VAL 787 CO 0.02 0.00 0.28 0.28 0.02 0.00 0.00 177.57 178.17 1a8i h SER 788 N -0.48 0.37 -0.77 0.57 0.02 -1.20 -0.62 113.55 111.44 1a8i h SER 788 Ca 0.01 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1a8i h SER 788 Cb 0.47 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 1a8i h SER 788 CO -0.09 0.23 0.40 0.00 -1.14 0.00 0.00 176.83 176.24 1a8i h ALA 789 N 1.36 0.98 -0.45 3.77 0.00 -0.94 -2.33 119.26 121.65 1a8i h ALA 789 Ca 0.28 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1a8i h ALA 789 Cb 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1a8i h ALA 789 CO -0.23 0.51 -0.11 1.25 0.00 0.00 0.00 179.25 180.68 1a8i h LEU 790 N 1.07 0.87 -2.09 0.00 5.85 -1.04 -2.97 115.31 116.99 1a8i h LEU 790 Ca 0.27 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1a8i h LEU 790 Cb 0.06 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1a8i h LEU 790 CO -0.04 1.03 0.10 0.22 -0.34 0.00 0.00 178.44 179.41 1a8i h TYR 791 N 0.70 0.00 0.00 1.25 3.20 -0.59 -0.87 116.97 120.65 1a8i h TYR 791 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1a8i h TYR 791 Cb 0.65 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1a8i h TYR 791 CO 0.05 0.00 0.00 1.63 -1.64 0.00 0.00 178.16 178.20 1a8i n LYS 792 N -4.32 0.02 -3.88 1.82 5.02 -0.98 -3.86 118.16 111.99 1a8i n LYS 792 Ca 0.00 0.31 -0.29 0.00 -2.02 0.00 0.00 58.31 56.32 1a8i n LYS 792 Cb 0.22 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 1a8i n LYS 792 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1a8i s ASN 793 N -2.93 4.40 0.25 4.39 3.84 -0.33 -4.97 114.94 119.59 1a8i s ASN 793 Ca 0.05 -3.41 -0.04 0.00 0.21 0.00 0.00 52.86 49.68 1a8i s ASN 793 Cb 0.06 -1.54 0.51 0.00 -0.55 0.00 0.00 41.25 39.73 1a8i s ASN 793 CO 0.17 -0.16 1.68 -0.65 -2.79 0.00 0.00 177.10 175.35 1a8i h PRO 794 N 5.92 0.26 -0.44 0.43 0.11 -1.76 0.15 132.00 136.67 1a8i h PRO 794 Ca 0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1a8i h PRO 794 Cb 0.83 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 1a8i h PRO 794 CO 0.67 0.17 0.28 -0.09 -0.21 0.00 0.00 178.00 178.82 1a8i h ARG 795 N 0.26 0.58 0.01 1.05 2.43 -1.93 -0.50 114.38 116.29 1a8i h ARG 795 Ca 0.44 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.37 1a8i h ARG 795 Cb 0.78 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1a8i h ARG 795 CO -0.54 0.41 -0.94 0.93 -1.51 0.00 0.00 179.97 178.32 1a8i h GLU 796 N 0.59 0.06 -0.23 0.20 4.39 -1.55 -1.46 114.58 116.58 1a8i h GLU 796 Ca 0.16 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.82 1a8i h GLU 796 Cb -0.04 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1a8i h GLU 796 CO -0.03 0.95 -0.00 2.35 -1.16 0.00 0.00 179.01 181.12 1a8i h TRP 797 N 0.02 -0.01 -0.68 4.33 2.91 -0.59 -2.08 115.95 119.86 1a8i h TRP 797 Ca -0.03 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 1a8i h TRP 797 Cb 1.64 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 30.30 1a8i h TRP 797 CO 0.01 -0.04 0.25 1.15 -1.03 0.00 0.00 178.44 178.79 1a8i h THR 798 N 0.07 1.24 -0.60 2.65 2.02 -0.94 -1.11 112.91 116.24 1a8i h THR 798 Ca 0.11 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 1a8i h THR 798 Cb 0.14 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1a8i h THR 798 CO -0.19 0.31 0.22 0.03 0.37 0.00 0.00 175.52 176.26 1a8i h ARG 799 N 0.98 0.88 0.00 6.66 3.08 -1.07 -0.37 114.38 124.55 1a8i h ARG 799 Ca 0.23 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1a8i h ARG 799 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1a8i h ARG 799 CO -0.02 0.74 -0.56 1.98 -1.07 0.00 0.00 179.97 181.04 1a8i h MET 800 N 0.86 0.00 -0.31 0.04 4.05 -0.74 -2.07 114.93 116.77 1a8i h MET 800 Ca 0.20 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1a8i h MET 800 Cb 0.20 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1a8i h MET 800 CO -0.01 0.56 0.08 0.28 0.23 0.00 0.00 176.91 178.05 1a8i h VAL 801 N 0.00 1.21 -0.97 -5.77 2.07 -0.71 -1.91 116.25 110.17 1a8i h VAL 801 Ca -0.01 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1a8i h VAL 801 Cb 1.04 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 1a8i h VAL 801 CO 0.07 0.24 0.64 0.40 0.02 0.00 0.00 177.57 178.94 1a8i h ILE 802 N 0.33 1.18 0.00 4.57 2.04 -0.85 0.17 117.51 124.95 1a8i h ILE 802 Ca 0.10 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1a8i h ILE 802 Cb 0.28 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1a8i h ILE 802 CO -0.00 0.23 -0.12 0.03 0.00 0.00 0.00 178.15 178.28 1a8i h ARG 803 N 1.24 0.00 0.02 2.37 3.08 -0.71 -1.24 114.38 119.14 1a8i h ARG 803 Ca 0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 1a8i h ARG 803 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1a8i h ARG 803 CO -0.11 0.12 -0.01 -0.91 -1.07 0.00 0.00 179.97 177.99 1a8i h ASN 804 N 0.00 -0.03 -0.49 7.04 2.35 -0.03 -3.23 115.58 121.19 1a8i h ASN 804 Ca -0.00 -0.65 0.08 0.00 -0.55 0.00 0.00 56.30 55.18 1a8i h ASN 804 Cb 0.28 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.59 1a8i h ASN 804 CO 0.02 0.77 0.12 0.40 -1.65 0.00 0.00 177.43 177.08 1a8i h ILE 805 N -0.96 0.75 0.00 2.81 2.04 -0.88 -1.92 117.51 119.35 1a8i h ILE 805 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1a8i h ILE 805 Cb 0.67 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1a8i h ILE 805 CO 0.01 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.20 1a8i n ALA 806 N -2.50 1.26 -1.24 1.87 0.00 -0.48 -2.03 120.51 117.39 1a8i n ALA 806 Ca 0.05 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.74 1a8i n ALA 806 Cb 0.23 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.51 1a8i n ALA 806 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a8i n THR 807 N -2.27 2.02 1.04 0.00 -2.24 -0.76 -2.08 114.28 109.99 1a8i n THR 807 Ca -0.00 -2.58 0.13 0.00 -2.27 0.00 0.00 64.05 59.33 1a8i n THR 807 Cb 0.10 -0.24 0.38 0.00 -2.10 0.00 0.00 70.33 68.47 1a8i n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1a8i n SER 808 N -1.30 0.40 -0.34 3.42 3.41 -0.86 -4.42 113.62 113.93 1a8i n SER 808 Ca 0.18 -0.11 0.14 0.00 -0.26 0.00 0.00 58.87 58.82 1a8i n SER 808 Cb 0.67 0.02 0.34 0.00 -0.26 0.00 0.00 64.21 64.98 1a8i n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1a8i h GLY 809 N 4.99 1.76 1.49 5.00 0.00 -1.78 -0.62 103.07 113.91 1a8i h GLY 809 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.06 1a8i h GLY 809 CO 0.00 -0.17 0.22 1.70 0.00 0.00 0.00 176.54 178.29 1a8i h LYS 810 N 0.61 0.00 -0.38 4.80 3.64 -1.88 -2.41 116.57 120.96 1a8i h LYS 810 Ca 0.59 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1a8i h LYS 810 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1a8i h LYS 810 CO -0.44 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.93 1a8i n PHE 811 N -3.35 0.48 -2.16 1.91 3.72 -0.24 -4.73 117.46 113.09 1a8i n PHE 811 Ca 0.00 -0.23 -0.41 0.00 -0.05 0.00 0.00 57.45 56.76 1a8i n PHE 811 Cb 0.32 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 1a8i n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1a8i s SER 812 N -0.93 6.83 0.62 4.37 0.15 -0.91 -0.55 113.70 123.28 1a8i s SER 812 Ca 0.22 2.47 0.40 0.00 0.70 0.00 0.00 55.95 59.74 1a8i s SER 812 Cb 0.12 -2.61 1.96 0.00 -1.71 0.00 0.00 66.02 63.78 1a8i s SER 812 CO 0.14 -0.57 2.20 0.77 1.20 0.00 0.00 173.24 176.98 1a8i h SER 813 N 5.27 0.00 -0.57 5.45 4.64 -1.20 -0.74 113.55 126.39 1a8i h SER 813 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 1a8i h SER 813 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1a8i h SER 813 CO 0.77 0.00 0.24 0.44 -0.87 0.00 0.00 176.83 177.41 1a8i h ASP 814 N 0.00 0.82 -0.06 4.97 3.32 -1.91 0.12 116.42 123.67 1a8i h ASP 814 Ca -0.00 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1a8i h ASP 814 Cb 0.23 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1a8i h ASP 814 CO 0.00 0.74 0.02 -0.09 -1.72 0.00 0.00 179.24 178.19 1a8i h ARG 815 N 0.88 0.09 0.10 3.56 1.12 -1.45 0.14 114.38 118.83 1a8i h ARG 815 Ca 0.21 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 1a8i h ARG 815 Cb 0.18 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 1a8i h ARG 815 CO -0.02 0.24 -0.09 1.15 -3.11 0.00 0.00 179.97 178.14 1a8i h THR 816 N -0.07 0.79 -0.52 0.20 2.02 -1.31 -1.97 112.91 112.05 1a8i h THR 816 Ca 0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1a8i h THR 816 Cb 0.18 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1a8i h THR 816 CO -0.00 0.00 0.20 0.40 0.37 0.00 0.00 175.52 176.49 1a8i h ILE 817 N -0.21 1.19 -0.56 3.11 1.08 -0.71 -1.00 117.51 120.41 1a8i h ILE 817 Ca 0.00 -0.60 0.02 0.00 -0.39 0.00 0.00 64.86 63.89 1a8i h ILE 817 Cb 0.20 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1a8i h ILE 817 CO -0.02 0.24 0.37 0.00 -0.69 0.00 0.00 178.15 178.05 1a8i h ALA 818 N 1.49 1.66 0.01 1.87 0.00 -0.39 0.11 119.26 124.00 1a8i h ALA 818 Ca 0.18 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1a8i h ALA 818 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1a8i h ALA 818 CO -0.02 0.30 -0.90 1.96 0.00 0.00 0.00 179.25 180.59 1a8i h GLN 819 N 0.70 0.12 -0.71 0.00 4.20 -0.45 -1.66 115.11 117.31 1a8i h GLN 819 Ca 0.22 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1a8i h GLN 819 Cb 0.00 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1a8i h GLN 819 CO -0.05 0.94 0.44 1.88 -0.67 0.00 0.00 178.83 181.36 1a8i h TYR 820 N 0.06 0.92 0.06 2.96 0.05 -0.76 0.33 116.97 120.60 1a8i h TYR 820 Ca -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1a8i h TYR 820 Cb 1.55 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1a8i h TYR 820 CO 0.02 0.61 -0.03 0.00 -1.05 0.00 0.00 178.16 177.71 1a8i h ALA 821 N 1.23 -0.08 -0.02 3.88 0.00 -0.79 -1.12 119.26 122.36 1a8i h ALA 821 Ca 0.26 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 1a8i h ALA 821 Cb -0.06 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a8i h ALA 821 CO -0.05 -0.48 -0.94 0.00 0.00 0.00 0.00 179.25 177.78 1a8i h ARG 822 N -0.22 0.68 0.00 0.00 3.08 -1.21 0.14 114.38 116.84 1a8i h ARG 822 Ca -0.01 -0.70 0.00 0.00 0.07 0.00 0.00 59.98 59.34 1a8i h ARG 822 Cb 0.19 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1a8i h ARG 822 CO 0.01 1.29 -0.84 0.39 -1.07 0.00 0.00 179.97 179.75 1a8i n GLU 823 N -3.92 0.14 0.00 0.04 1.02 0.10 -4.26 120.64 113.75 1a8i n GLU 823 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1a8i n GLU 823 Cb 0.83 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1a8i n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1a8i n ILE 824 N -1.73 0.00 0.15 -3.67 5.41 -0.54 -4.85 119.36 114.12 1a8i n ILE 824 Ca 0.03 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.88 1a8i n ILE 824 Cb 0.38 -1.15 0.06 0.00 -0.71 0.00 0.00 39.64 38.23 1a8i n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1a8i h TRP 825 N 0.00 0.00 -3.15 1.39 6.55 -1.23 -3.48 115.95 116.03 1a8i h TRP 825 Ca 0.00 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.66 1a8i h TRP 825 Cb 0.75 0.00 0.06 0.00 -0.86 0.00 0.00 29.16 29.12 1a8i h TRP 825 CO 0.00 0.10 -0.30 0.41 -1.05 0.00 0.00 178.44 177.59 1a8i n GLY 826 N 1.17 0.28 2.96 1.49 0.00 0.38 -4.96 105.19 106.51 1a8i n GLY 826 Ca 0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1a8i n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a8i s VAL 827 N -3.13 0.21 -0.25 1.61 -7.23 -0.45 -5.02 120.40 106.14 1a8i s VAL 827 Ca 0.26 -0.58 -0.13 0.00 -1.81 0.00 0.00 61.98 59.72 1a8i s VAL 827 Cb -0.11 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 1a8i s VAL 827 CO 0.32 -0.24 0.29 -0.70 -0.31 0.00 0.00 175.10 174.46 1a8i s GLU 828 N -0.86 4.05 0.69 4.82 2.56 -1.26 -3.51 118.70 125.19 1a8i s GLU 828 Ca -0.07 -0.07 -0.15 0.00 0.00 0.00 0.00 54.97 54.67 1a8i s GLU 828 Cb -0.06 -3.60 0.02 0.00 2.00 0.00 0.00 34.13 32.49 1a8i s GLU 828 CO -0.00 -0.12 1.14 -1.25 -0.56 0.00 0.00 175.26 174.47 1a8i s PRO 829 N 1.59 2.54 -0.08 4.30 0.04 -1.26 -4.95 135.00 137.18 1a8i s PRO 829 Ca 0.12 1.51 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 1a8i s PRO 829 Cb -0.15 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1a8i s PRO 829 CO 0.08 -1.47 0.33 0.45 0.04 0.00 0.00 177.00 176.43 1a8i s SER 830 N -2.42 -0.28 -0.03 6.66 0.15 0.10 -5.04 113.70 112.84 1a8i s SER 830 Ca 0.69 0.41 0.19 0.00 0.70 0.00 0.00 55.95 57.94 1a8i s SER 830 Cb -0.23 0.52 0.59 0.00 -1.71 0.00 0.00 66.02 65.19 1a8i s SER 830 CO 0.43 -0.27 1.50 0.54 1.20 0.00 0.00 173.24 176.64 1a8i n ARG 831 N 2.16 2.97 -2.17 5.44 5.12 -1.26 -3.40 116.66 125.52 1a8i n ARG 831 Ca -0.17 -2.59 -0.42 0.00 -1.93 0.00 0.00 57.85 52.74 1a8i n ARG 831 Cb 0.57 -1.58 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 1a8i n ARG 831 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1a8i s GLN 832 N -1.21 4.33 0.37 5.56 2.00 -1.26 -4.95 119.66 124.49 1a8i s GLN 832 Ca 0.44 2.07 -0.27 0.00 -2.00 0.00 0.00 55.36 55.60 1a8i s GLN 832 Cb 0.24 -3.24 -0.09 0.00 0.80 0.00 0.00 33.01 30.72 1a8i s GLN 832 CO 0.27 -0.42 1.26 0.50 -0.50 0.00 0.00 175.29 176.40 1a8i s ARG 833 N 0.97 4.17 0.12 1.67 3.52 -1.26 -4.97 118.95 123.17 1a8i s ARG 833 Ca 0.64 2.08 -0.10 0.00 -0.13 0.00 0.00 55.73 58.22 1a8i s ARG 833 Cb -0.37 -2.88 -0.06 0.00 -1.56 0.00 0.00 34.95 30.08 1a8i s ARG 833 CO 0.31 -0.30 0.45 -1.17 -0.81 0.00 0.00 175.30 173.78 1a8i s LEU 834 N -2.16 4.31 0.00 -0.88 2.96 0.14 -5.00 118.68 118.05 1a8i s LEU 834 Ca 0.53 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 1a8i s LEU 834 Cb -0.37 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1a8i s LEU 834 CO 0.47 0.11 0.42 -2.65 -1.32 0.00 0.00 176.35 173.38