#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a39 n PRO 3 N 0.00 2.45 0.00 1.64 -0.02 -1.26 -0.40 135.00 137.41 2a39 n PRO 3 Ca 0.00 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2a39 n PRO 3 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 2a39 n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a39 n GLY 4 N 1.66 0.02 0.08 -1.23 0.00 0.24 -4.73 105.19 101.24 2a39 n GLY 4 Ca 0.07 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 2a39 n GLY 4 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2a39 h GLU 5 N 0.00 0.00 -6.84 1.61 3.07 -1.94 -3.44 114.58 107.03 2a39 h GLU 5 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 2a39 h GLU 5 Cb 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 27.99 2a39 h GLU 5 CO 0.00 0.50 0.81 0.99 -1.40 0.00 0.00 179.01 179.91 2a39 s THR 6 N -2.63 2.22 0.39 1.13 2.01 -1.26 -4.93 115.64 112.56 2a39 s THR 6 Ca -0.04 0.19 -0.24 0.00 0.31 0.00 0.00 61.69 61.91 2a39 s THR 6 Cb 0.08 -3.12 -0.10 0.00 0.01 0.00 0.00 72.50 69.37 2a39 s THR 6 CO 0.82 0.04 1.00 -1.59 -0.69 0.00 0.00 174.62 174.20 2a39 s LYS 7 N -1.09 4.28 -0.23 4.92 -2.85 -1.26 -2.26 119.74 121.24 2a39 s LYS 7 Ca 0.58 1.39 -0.18 0.00 -1.00 0.00 0.00 55.97 56.77 2a39 s LYS 7 Cb -0.46 -2.54 -0.03 0.00 -2.06 0.00 0.00 37.83 32.75 2a39 s LYS 7 CO 0.52 -0.02 0.49 -2.00 0.10 0.00 0.00 175.35 174.45 2a39 s GLU 8 N -2.51 4.12 -0.34 1.78 2.56 -1.26 -2.54 118.70 120.51 2a39 s GLU 8 Ca 0.57 0.32 0.00 0.00 0.00 0.00 0.00 54.97 55.86 2a39 s GLU 8 Cb -0.19 -3.60 0.08 0.00 2.00 0.00 0.00 34.13 32.42 2a39 s GLU 8 CO 0.24 -0.23 0.06 0.08 -0.56 0.00 0.00 175.26 174.85 2a39 s VAL 9 N 1.91 2.76 0.07 3.70 1.01 0.20 -4.89 120.40 125.16 2a39 s VAL 9 Ca 0.22 -1.91 -0.30 0.00 0.00 0.00 0.00 61.98 59.98 2a39 s VAL 9 Cb -0.15 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 2a39 s VAL 9 CO 0.09 -0.42 0.97 -1.00 0.00 0.00 0.00 175.10 174.74 2a39 s HIS 10 N 1.09 3.75 0.36 5.22 0.09 -1.26 -4.60 115.29 119.93 2a39 s HIS 10 Ca 0.03 1.75 -0.28 0.00 -0.00 0.00 0.00 55.06 56.56 2a39 s HIS 10 Cb -0.20 -3.09 -0.11 0.00 -0.00 0.00 0.00 32.58 29.18 2a39 s HIS 10 CO -0.05 0.09 1.42 -2.14 -0.00 0.00 0.00 174.74 174.06 2a39 s PRO 11 N 0.38 4.20 0.20 8.40 0.02 -1.26 -4.81 135.00 142.15 2a39 s PRO 11 Ca 0.49 2.43 -0.07 0.00 0.02 0.00 0.00 61.00 63.87 2a39 s PRO 11 Cb -0.23 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 31.22 2a39 s PRO 11 CO 0.29 -0.40 0.48 -1.14 -0.33 0.00 0.00 177.00 175.90 2a39 s GLN 12 N -1.93 3.71 -0.11 5.54 0.74 -1.26 -1.41 119.66 124.94 2a39 s GLN 12 Ca 0.52 0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.97 2a39 s GLN 12 Cb -0.44 -2.72 0.05 0.00 1.10 0.00 0.00 33.01 31.00 2a39 s GLN 12 CO 0.59 0.36 0.24 -1.17 -0.55 0.00 0.00 175.29 174.76 2a39 s LEU 13 N -2.86 0.18 -0.08 3.68 2.96 -0.19 -4.76 118.68 117.60 2a39 s LEU 13 Ca 0.44 0.52 -0.24 0.00 -0.22 0.00 0.00 54.13 54.64 2a39 s LEU 13 Cb -0.11 0.67 -0.03 0.00 0.50 0.00 0.00 46.19 47.21 2a39 s LEU 13 CO 0.24 -0.19 0.72 -0.89 -1.32 0.00 0.00 176.35 174.91 2a39 s THR 14 N 1.68 5.02 0.42 3.68 2.01 -1.09 -1.38 115.64 125.98 2a39 s THR 14 Ca -0.05 1.48 0.03 0.00 0.31 0.00 0.00 61.69 63.46 2a39 s THR 14 Cb -0.11 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2a39 s THR 14 CO -0.08 0.22 0.07 0.42 -0.69 0.00 0.00 174.62 174.55 2a39 s THR 15 N 1.00 1.01 0.09 -0.82 -4.23 -0.75 -4.51 115.64 107.43 2a39 s THR 15 Ca 0.38 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 2a39 s THR 15 Cb -0.18 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 2a39 s THR 15 CO 0.18 0.00 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.79 2a39 s PHE 16 N -3.09 1.09 -0.15 3.99 0.08 -0.64 0.43 117.98 119.69 2a39 s PHE 16 Ca 0.23 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.68 2a39 s PHE 16 Cb 0.04 -0.60 0.02 0.00 -0.57 0.00 0.00 43.02 41.91 2a39 s PHE 16 CO 0.12 0.02 -0.17 1.03 -0.10 0.00 0.00 175.22 176.12 2a39 s ARG 17 N -2.55 2.58 0.03 0.44 1.81 -0.08 -2.29 118.95 118.90 2a39 s ARG 17 Ca 0.04 -0.67 0.07 0.00 -1.72 0.00 0.00 55.73 53.45 2a39 s ARG 17 Cb -0.05 -2.27 -0.03 0.00 -0.45 0.00 0.00 34.95 32.16 2a39 s ARG 17 CO 0.01 -0.19 -0.20 0.00 -0.68 0.00 0.00 175.30 174.24 2a39 s THR 19 N -0.88 0.62 0.33 0.00 -4.23 -0.47 -2.18 115.64 108.83 2a39 s THR 19 Ca 0.14 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 2a39 s THR 19 Cb -0.10 -1.37 0.15 0.00 1.34 0.00 0.00 72.50 72.51 2a39 s THR 19 CO 0.04 -0.74 1.86 0.11 -0.54 0.00 0.00 174.62 175.34 2a39 h LYS 20 N 3.40 0.52 0.02 3.99 1.57 -1.88 -0.89 116.57 123.30 2a39 h LYS 20 Ca -0.35 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 2a39 h LYS 20 Cb 1.17 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2a39 h LYS 20 CO 0.58 0.57 -0.11 0.00 -0.57 0.00 0.00 179.45 179.92 2a39 h ARG 21 N 0.50 0.04 -0.00 3.15 2.47 -1.99 -3.35 114.38 115.19 2a39 h ARG 21 Ca 0.10 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2a39 h ARG 21 Cb 0.37 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2a39 h ARG 21 CO 0.01 1.03 -0.13 0.41 0.56 0.00 0.00 179.97 181.86 2a39 n GLY 22 N 1.60 -0.98 7.00 0.04 0.00 -1.23 -5.05 105.19 106.57 2a39 n GLY 22 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2a39 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a39 n GLY 23 N 1.31 -0.37 3.61 -0.02 0.00 -0.34 -4.69 105.19 104.69 2a39 n GLY 23 Ca 0.13 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 2a39 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a39 s LYS 25 N 1.48 2.96 0.65 0.00 1.02 0.09 -4.88 119.74 121.06 2a39 s LYS 25 Ca 0.07 -0.49 -0.16 0.00 0.02 0.00 0.00 55.97 55.41 2a39 s LYS 25 Cb -0.15 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2a39 s LYS 25 CO 0.08 0.66 1.13 -1.25 -0.92 0.00 0.00 175.35 175.05 2a39 s PRO 26 N -1.39 2.81 -0.01 -1.68 0.04 -1.26 -0.90 135.00 132.61 2a39 s PRO 26 Ca 0.19 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 2a39 s PRO 26 Cb -0.12 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2a39 s PRO 26 CO 0.09 -1.26 0.21 0.00 0.04 0.00 0.00 177.00 176.08 2a39 s ALA 27 N -2.18 -0.52 -0.14 8.56 0.00 0.17 -4.81 121.76 122.84 2a39 s ALA 27 Ca 0.69 0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 2a39 s ALA 27 Cb -0.22 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2a39 s ALA 27 CO 0.39 -0.23 0.45 0.99 0.00 0.00 0.00 175.76 177.37 2a39 s THR 28 N -1.30 5.20 0.18 0.00 2.01 -1.26 -1.81 115.64 118.65 2a39 s THR 28 Ca -0.14 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.75 2a39 s THR 28 Cb -0.06 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2a39 s THR 28 CO 0.03 0.31 0.06 0.20 -0.69 0.00 0.00 174.62 174.53 2a39 s ASN 29 N 0.69 0.66 0.18 3.53 -0.87 -0.48 -3.76 114.94 114.90 2a39 s ASN 29 Ca 0.24 -1.26 0.04 0.00 -1.57 0.00 0.00 52.86 50.31 2a39 s ASN 29 Cb -0.15 0.24 -0.05 0.00 -0.02 0.00 0.00 41.25 41.28 2a39 s ASN 29 CO 0.09 -0.71 -0.06 -0.36 -2.57 0.00 0.00 177.10 173.49 2a39 s PHE 30 N -3.92 1.40 -0.06 2.20 0.40 -0.94 -1.02 117.98 116.04 2a39 s PHE 30 Ca 0.29 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.82 2a39 s PHE 30 Cb 0.07 -0.75 -0.03 0.00 0.51 0.00 0.00 43.02 42.82 2a39 s PHE 30 CO 0.06 0.04 -0.12 0.42 0.70 0.00 0.00 175.22 176.32 2a39 s ILE 31 N -3.36 3.26 -0.02 0.64 -1.09 -0.50 0.14 121.20 120.27 2a39 s ILE 31 Ca 0.22 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2a39 s ILE 31 Cb 0.04 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 2a39 s ILE 31 CO 0.04 0.58 -0.07 0.54 -1.23 0.00 0.00 174.94 174.80 2a39 s VAL 32 N -0.62 0.63 0.50 2.92 0.11 -0.67 -4.08 120.40 119.19 2a39 s VAL 32 Ca 0.09 -0.29 -0.20 0.00 -2.93 0.00 0.00 61.98 58.65 2a39 s VAL 32 Cb -0.11 -0.56 -0.08 0.00 -1.53 0.00 0.00 36.38 34.10 2a39 s VAL 32 CO 0.01 0.20 1.07 -0.76 -3.33 0.00 0.00 175.10 172.29 2a39 s LEU 33 N 0.15 3.83 0.44 2.54 1.43 -1.26 -0.75 118.68 125.05 2a39 s LEU 33 Ca -0.02 2.01 -0.24 0.00 -1.03 0.00 0.00 54.13 54.85 2a39 s LEU 33 Cb -0.07 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.50 2a39 s LEU 33 CO 0.00 -0.90 0.98 -0.67 0.23 0.00 0.00 176.35 175.99 2a39 n ASP 34 N -1.03 1.08 -0.33 2.29 2.03 -0.66 -4.11 116.55 115.81 2a39 n ASP 34 Ca 0.10 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2a39 n ASP 34 Cb 0.52 -1.34 0.17 0.00 -0.72 0.00 0.00 41.12 39.75 2a39 n ASP 34 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2a39 h SER 35 N 1.40 1.03 0.44 1.67 4.64 -1.18 -1.69 113.55 119.86 2a39 h SER 35 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2a39 h SER 35 Cb 1.34 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2a39 h SER 35 CO 0.56 0.72 0.00 0.18 -0.87 0.00 0.00 176.83 177.42 2a39 n LEU 36 N -4.43 0.00 0.00 5.97 4.77 -1.26 -1.52 117.00 120.53 2a39 n LEU 36 Ca 0.12 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 2a39 n LEU 36 Cb 0.08 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 41.13 2a39 n LEU 36 CO 0.35 -0.08 0.46 -1.20 -1.33 0.00 0.00 177.39 175.59 2a39 n SER 37 N -1.30 0.50 -4.82 -1.43 7.64 -0.64 -4.87 113.62 108.70 2a39 n SER 37 Ca 0.10 -0.21 -0.33 0.00 1.01 0.00 0.00 58.87 59.44 2a39 n SER 37 Cb 0.18 0.23 -0.04 0.00 -1.01 0.00 0.00 64.21 63.58 2a39 n SER 37 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2a39 s HIS 38 N -3.01 3.20 0.03 1.43 3.76 -0.58 -4.96 115.29 115.16 2a39 s HIS 38 Ca 0.11 1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 56.26 2a39 s HIS 38 Cb 0.17 -2.93 -0.08 0.00 1.11 0.00 0.00 32.58 30.86 2a39 s HIS 38 CO 0.70 -0.57 1.83 -2.14 -0.85 0.00 0.00 174.74 173.71 2a39 s PRO 39 N -3.60 4.16 -0.16 8.40 0.02 -1.26 -4.86 135.00 137.70 2a39 s PRO 39 Ca 0.63 2.47 0.01 0.00 0.02 0.00 0.00 61.00 64.13 2a39 s PRO 39 Cb -0.13 -3.98 0.01 0.00 0.02 0.00 0.00 34.50 30.43 2a39 s PRO 39 CO 0.24 -0.89 -0.19 0.42 -0.33 0.00 0.00 177.00 176.25 2a39 s ILE 40 N 3.91 2.21 0.29 2.83 1.01 -1.26 -0.78 121.20 129.41 2a39 s ILE 40 Ca 0.82 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2a39 s ILE 40 Cb -0.40 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2a39 s ILE 40 CO 0.37 0.53 0.15 -1.38 0.00 0.00 0.00 174.94 174.61 2a39 s HIS 41 N 1.06 1.55 0.48 3.97 -3.43 0.28 -4.45 115.29 114.75 2a39 s HIS 41 Ca -0.01 -1.36 -0.20 0.00 -0.80 0.00 0.00 55.06 52.69 2a39 s HIS 41 Cb -0.14 -0.82 -0.09 0.00 -1.43 0.00 0.00 32.58 30.10 2a39 s HIS 41 CO -0.07 -0.53 1.00 1.03 -2.00 0.00 0.00 174.74 174.18 2a39 s ARG 42 N -3.87 3.92 0.80 -0.38 0.52 -1.02 -0.10 118.95 118.82 2a39 s ARG 42 Ca 0.37 1.22 -0.13 0.00 -0.52 0.00 0.00 55.73 56.66 2a39 s ARG 42 Cb 0.05 -2.12 0.08 0.00 0.52 0.00 0.00 34.95 33.48 2a39 s ARG 42 CO 0.17 -0.31 1.21 0.00 0.02 0.00 0.00 175.30 176.39 2a39 s ALA 43 N -2.16 1.85 0.30 2.13 0.00 0.13 -4.77 121.76 119.24 2a39 s ALA 43 Ca 0.64 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 2a39 s ALA 43 Cb -0.13 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.38 2a39 s ALA 43 CO 0.20 -2.29 1.45 -1.83 0.00 0.00 0.00 175.76 173.29 2a39 s GLU 44 N -4.09 4.23 0.00 0.00 -1.05 -1.26 -1.08 118.70 115.44 2a39 s GLU 44 Ca 0.74 2.39 0.00 0.00 -0.15 0.00 0.00 54.97 57.95 2a39 s GLU 44 Cb -0.29 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.34 2a39 s GLU 44 CO 0.50 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.69 2a39 n GLY 45 N 1.49 3.30 3.93 -3.83 0.00 -1.26 -5.04 105.19 103.78 2a39 n GLY 45 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2a39 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a39 s LEU 46 N 0.00 4.20 0.95 0.99 1.43 -0.24 -5.05 118.68 120.96 2a39 s LEU 46 Ca 0.00 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 2a39 s LEU 46 Cb 0.00 -3.21 0.17 0.00 0.03 0.00 0.00 46.19 43.17 2a39 s LEU 46 CO 0.00 -0.07 1.12 -0.83 0.23 0.00 0.00 176.35 176.80 2a39 s GLY 47 N -3.21 1.66 0.64 -3.19 0.00 -1.26 -4.88 107.32 97.08 2a39 s GLY 47 Ca 0.39 0.44 -0.18 0.00 0.00 0.00 0.00 44.72 45.37 2a39 s GLY 47 CO 0.29 0.91 1.23 2.56 0.00 0.00 0.00 173.10 178.09 2a39 s PRO 48 N -4.64 2.67 0.00 2.90 0.04 -1.26 -4.75 135.00 129.97 2a39 s PRO 48 Ca 0.67 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.58 2a39 s PRO 48 Cb -0.23 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2a39 s PRO 48 CO 0.59 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2a39 n GLY 49 N 0.57 -1.79 0.82 0.56 0.00 -1.26 -4.99 105.19 99.10 2a39 n GLY 49 Ca 0.14 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 2a39 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a39 n GLY 50 N -1.05 3.37 2.19 -0.02 0.00 -1.26 -2.44 105.19 105.98 2a39 n GLY 50 Ca 0.00 -2.21 -0.21 0.00 0.00 0.00 0.00 46.02 43.59 2a39 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a39 n GLY 52 N -0.66 2.31 3.69 0.00 0.00 -1.26 -4.44 105.19 104.83 2a39 n GLY 52 Ca 0.38 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 2a39 n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a39 s ASP 53 N 0.00 4.84 0.16 1.61 1.01 -1.26 -4.93 116.67 118.09 2a39 s ASP 53 Ca 0.00 -0.44 -0.33 0.00 0.71 0.00 0.00 52.55 52.50 2a39 s ASP 53 Cb 0.00 -1.04 -0.17 0.00 1.01 0.00 0.00 42.92 42.73 2a39 s ASP 53 CO 0.00 0.05 0.98 1.87 0.21 0.00 0.00 175.17 178.27 2a39 n TRP 54 N -0.49 0.74 -0.04 4.23 -0.00 -1.26 -1.84 117.44 118.78 2a39 n TRP 54 Ca -0.08 0.82 0.00 0.00 -0.00 0.00 0.00 57.50 58.24 2a39 n TRP 54 Cb 0.57 -2.16 0.00 0.00 -0.00 0.00 0.00 31.31 29.71 2a39 n TRP 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2a39 n GLY 55 N 1.84 0.49 3.15 5.87 0.00 0.34 -5.00 105.19 111.88 2a39 n GLY 55 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2a39 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a39 s ASN 56 N -2.50 0.64 0.77 1.61 0.01 -0.76 -4.82 114.94 109.89 2a39 s ASN 56 Ca 0.00 -1.10 -0.12 0.00 -0.71 0.00 0.00 52.86 50.93 2a39 s ASN 56 Cb 0.00 0.20 0.06 0.00 0.41 0.00 0.00 41.25 41.92 2a39 s ASN 56 CO 0.00 -0.62 1.12 -2.16 -1.51 0.00 0.00 177.10 173.93 2a39 s PRO 57 N -3.95 2.11 0.82 -0.60 0.05 -1.26 -2.05 135.00 130.11 2a39 s PRO 57 Ca 0.16 1.39 -0.11 0.00 0.05 0.00 0.00 61.00 62.49 2a39 s PRO 57 Cb 0.07 -1.86 0.08 0.00 0.05 0.00 0.00 34.50 32.84 2a39 s PRO 57 CO -0.03 -1.79 1.09 -1.25 0.05 0.00 0.00 177.00 175.08 2a39 s PRO 58 N -4.52 1.90 0.25 0.56 0.04 -1.26 -4.75 135.00 127.23 2a39 s PRO 58 Ca 0.66 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 2a39 s PRO 58 Cb -0.21 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 2a39 s PRO 58 CO 0.51 -1.88 1.50 -1.25 0.04 0.00 0.00 177.00 175.93 2a39 s PRO 59 N -4.89 4.22 0.58 0.56 0.04 -1.26 -4.89 135.00 129.35 2a39 s PRO 59 Ca 0.62 2.40 0.29 0.00 0.04 0.00 0.00 61.00 64.34 2a39 s PRO 59 Cb -0.18 -3.09 1.74 0.00 0.04 0.00 0.00 34.50 33.02 2a39 s PRO 59 CO 0.56 -0.51 2.23 0.87 0.04 0.00 0.00 177.00 180.19 2a39 h LYS 60 N 5.20 0.00 -0.01 4.56 1.57 -1.93 0.19 116.57 126.15 2a39 h LYS 60 Ca -0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 2a39 h LYS 60 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2a39 h LYS 60 CO 0.80 0.02 -0.04 0.38 -0.57 0.00 0.00 179.45 180.04 2a39 h ASP 61 N 0.00 0.05 0.55 0.86 2.03 -2.00 -3.18 116.42 114.72 2a39 h ASP 61 Ca -0.00 -0.65 0.00 0.00 -0.73 0.00 0.00 57.03 55.65 2a39 h ASP 61 Cb 0.05 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 2a39 h ASP 61 CO 0.00 0.69 -1.03 1.33 -1.03 0.00 0.00 179.24 179.20 2a39 n VAL 62 N -4.74 0.25 -3.18 4.15 0.24 -1.18 -4.57 118.33 109.31 2a39 n VAL 62 Ca -0.09 -0.31 -0.24 0.00 -2.04 0.00 0.00 64.34 61.66 2a39 n VAL 62 Cb 0.34 0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.72 2a39 n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a39 h PRO 64 N 3.51 0.00 -3.88 0.00 0.13 -1.74 -3.40 132.00 126.61 2a39 h PRO 64 Ca 0.13 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.11 2a39 h PRO 64 Cb 0.74 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.77 2a39 h PRO 64 CO 0.67 0.49 -0.19 0.16 -0.23 0.00 0.00 178.00 178.91 2a39 s ASP 65 N -6.63 0.24 0.15 1.44 1.47 -1.26 -5.04 116.67 107.04 2a39 s ASP 65 Ca -0.00 -1.16 -0.16 0.00 1.18 0.00 0.00 52.55 52.40 2a39 s ASP 65 Cb 0.12 0.59 0.02 0.00 -0.34 0.00 0.00 42.92 43.31 2a39 s ASP 65 CO 0.72 -1.17 1.81 0.58 0.68 0.00 0.00 175.17 177.79 2a39 h VAL 66 N 2.25 1.08 -0.78 2.11 2.07 -1.89 -1.74 116.25 119.35 2a39 h VAL 66 Ca -0.28 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2a39 h VAL 66 Cb 1.25 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2a39 h VAL 66 CO 0.39 0.09 0.37 -0.33 0.02 0.00 0.00 177.57 178.11 2a39 h GLU 67 N 0.51 1.13 -0.20 1.57 3.07 -1.98 -0.27 114.58 118.41 2a39 h GLU 67 Ca 0.15 -0.16 -0.13 0.00 -0.50 0.00 0.00 59.36 58.71 2a39 h GLU 67 Cb -0.04 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.67 2a39 h GLU 67 CO -0.05 0.87 -0.40 0.77 -1.40 0.00 0.00 179.01 178.80 2a39 h SER 68 N 1.12 0.69 -0.74 1.42 0.02 -1.80 -3.12 113.55 111.14 2a39 h SER 68 Ca 0.27 -0.55 0.08 0.00 -0.84 0.00 0.00 61.79 60.75 2a39 h SER 68 Cb 0.12 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.39 2a39 h SER 68 CO -0.03 1.11 0.40 0.00 -1.14 0.00 0.00 176.83 177.17 2a39 h ALA 70 N 1.41 1.00 0.00 0.00 0.00 -0.98 -2.27 119.26 118.42 2a39 h ALA 70 Ca 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 2a39 h ALA 70 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2a39 h ALA 70 CO -0.24 0.00 -1.77 0.36 0.00 0.00 0.00 179.25 177.60 2a39 n LYS 71 N -3.05 1.13 0.14 0.00 2.85 0.01 -3.78 118.16 115.45 2a39 n LYS 71 Ca -0.02 -0.07 0.12 0.00 -1.05 0.00 0.00 58.31 57.30 2a39 n LYS 71 Cb 0.16 -1.34 0.18 0.00 -0.65 0.00 0.00 35.03 33.38 2a39 n LYS 71 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2a39 h ASN 72 N 0.00 0.00 -3.41 -5.58 2.35 -0.74 -3.44 115.58 104.76 2a39 h ASN 72 Ca -0.18 -0.04 -0.66 0.00 -0.55 0.00 0.00 56.30 54.87 2a39 h ASN 72 Cb 1.22 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.32 2a39 h ASN 72 CO 0.01 0.02 -0.71 0.00 -1.65 0.00 0.00 177.43 175.10 2a39 s ILE 74 N 1.43 3.54 -0.24 0.00 -1.09 0.85 -2.38 121.20 123.31 2a39 s ILE 74 Ca 0.05 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2a39 s ILE 74 Cb -0.14 -2.47 0.03 0.00 -1.58 0.00 0.00 42.46 38.30 2a39 s ILE 74 CO -0.02 0.56 -0.07 -0.32 -1.23 0.00 0.00 174.94 173.86 2a39 s MET 75 N -0.35 2.84 0.44 2.79 -2.45 0.46 -0.55 119.30 122.48 2a39 s MET 75 Ca 0.05 -0.97 -0.12 0.00 -1.25 0.00 0.00 55.69 53.39 2a39 s MET 75 Cb -0.12 -2.96 -0.07 0.00 1.25 0.00 0.00 34.83 32.93 2a39 s MET 75 CO 0.02 -0.39 0.84 -1.21 1.05 0.00 0.00 175.02 175.33 2a39 s GLU 76 N 1.32 3.82 0.75 4.11 0.41 0.04 0.82 118.70 129.97 2a39 s GLU 76 Ca 0.00 0.62 -0.11 0.00 -0.41 0.00 0.00 54.97 55.07 2a39 s GLU 76 Cb -0.16 -2.31 0.05 0.00 -1.78 0.00 0.00 34.13 29.92 2a39 s GLU 76 CO -0.05 -0.12 1.09 0.20 -0.49 0.00 0.00 175.26 175.90 2a39 s GLY 77 N -3.15 1.77 -0.29 -1.39 0.00 -0.96 -4.29 107.32 99.01 2a39 s GLY 77 Ca 0.54 0.32 -0.02 0.00 0.00 0.00 0.00 44.72 45.55 2a39 s GLY 77 CO 0.32 0.67 -0.01 -0.42 0.00 0.00 0.00 173.10 173.65 2a39 s ILE 78 N -2.80 3.02 -0.51 0.90 1.01 -1.20 -4.66 121.20 116.97 2a39 s ILE 78 Ca 0.62 -1.27 0.24 0.00 0.00 0.00 0.00 60.65 60.24 2a39 s ILE 78 Cb -0.18 -2.69 0.22 0.00 0.01 0.00 0.00 42.46 39.83 2a39 s ILE 78 CO 0.53 -0.03 1.50 1.55 0.00 0.00 0.00 174.94 178.49 2a39 h PRO 79 N 8.02 0.00 -3.01 2.79 0.13 -1.82 0.59 132.00 138.70 2a39 h PRO 79 Ca -0.24 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.36 2a39 h PRO 79 Cb 1.07 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.80 2a39 h PRO 79 CO 0.55 0.00 -0.77 0.34 -0.23 0.00 0.00 178.00 177.88 2a39 s ASP 80 N -5.32 3.50 0.55 1.44 2.15 -1.26 -4.50 116.67 113.22 2a39 s ASP 80 Ca 0.06 -1.27 0.33 0.00 0.43 0.00 0.00 52.55 52.10 2a39 s ASP 80 Cb 0.09 -0.46 1.52 0.00 -0.30 0.00 0.00 42.92 43.78 2a39 s ASP 80 CO 0.68 -0.42 2.06 1.88 -0.17 0.00 0.00 175.17 179.20 2a39 h TYR 81 N 8.34 0.00 0.00 -5.34 -1.99 -1.82 -2.97 116.97 113.19 2a39 h TYR 81 Ca -0.18 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 2a39 h TYR 81 Cb 1.03 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.76 2a39 h TYR 81 CO 0.29 0.07 -0.04 0.66 -0.00 0.00 0.00 178.16 179.13 2a39 h SER 82 N 0.00 0.00 0.72 3.88 4.64 -1.91 0.45 113.55 121.34 2a39 h SER 82 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a39 h SER 82 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2a39 h SER 82 CO 0.01 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2a39 n GLN 83 N -3.50 0.15 -0.29 4.77 1.13 -1.12 -1.88 117.38 116.65 2a39 n GLN 83 Ca -0.02 0.37 0.07 0.00 -1.94 0.00 0.00 57.00 55.47 2a39 n GLN 83 Cb 0.16 -1.78 0.20 0.00 0.11 0.00 0.00 30.24 28.93 2a39 n GLN 83 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2a39 n TYR 84 N -2.07 0.67 -1.53 1.08 4.02 0.12 -4.95 117.16 114.51 2a39 n TYR 84 Ca 0.03 -0.63 -0.06 0.00 -0.01 0.00 0.00 57.90 57.23 2a39 n TYR 84 Cb 0.23 -0.13 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 2a39 n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2a39 n GLY 85 N 0.23 0.56 3.11 2.72 0.00 -0.79 -4.45 105.19 106.58 2a39 n GLY 85 Ca 0.16 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2a39 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a39 s VAL 86 N -2.25 2.04 0.03 1.61 1.01 -1.03 -0.61 120.40 121.21 2a39 s VAL 86 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 2a39 s VAL 86 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2a39 s VAL 86 CO 0.00 0.47 -0.01 0.42 0.00 0.00 0.00 175.10 175.98 2a39 s THR 87 N 1.28 0.14 0.07 3.92 -4.23 -0.95 -2.82 115.64 113.05 2a39 s THR 87 Ca 0.03 -1.13 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 2a39 s THR 87 Cb -0.14 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 2a39 s THR 87 CO -0.12 -0.62 -0.15 0.42 -0.54 0.00 0.00 174.62 173.61 2a39 s THR 88 N -2.14 1.17 -0.25 3.99 -4.23 -1.26 -1.09 115.64 111.82 2a39 s THR 88 Ca -0.10 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.06 2a39 s THR 88 Cb -0.05 -1.12 0.11 0.00 1.34 0.00 0.00 72.50 72.78 2a39 s THR 88 CO -0.03 -0.21 0.23 0.21 -0.54 0.00 0.00 174.62 174.27 2a39 s ASN 89 N -1.76 1.97 0.78 3.99 2.47 -0.72 -5.00 114.94 116.67 2a39 s ASN 89 Ca -0.01 -0.66 0.00 0.00 0.42 0.00 0.00 52.86 52.61 2a39 s ASN 89 Cb -0.10 0.26 0.00 0.00 -1.45 0.00 0.00 41.25 39.96 2a39 s ASN 89 CO 0.02 -0.37 0.00 0.61 -3.72 0.00 0.00 177.10 173.64 2a39 n GLY 90 N 5.30 0.89 0.60 1.21 0.00 -1.26 -1.41 105.19 110.51 2a39 n GLY 90 Ca -0.04 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.43 2a39 n GLY 90 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a39 n THR 91 N 0.00 0.97 -4.55 2.61 -2.24 -1.26 -2.68 114.28 107.13 2a39 n THR 91 Ca 0.00 -0.99 -0.34 0.00 -2.27 0.00 0.00 64.05 60.45 2a39 n THR 91 Cb 0.00 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 2a39 n THR 91 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2a39 s SER 92 N -1.00 4.79 -0.20 3.42 0.01 -0.50 -1.49 113.70 118.72 2a39 s SER 92 Ca 0.22 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2a39 s SER 92 Cb 0.11 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 65.07 2a39 s SER 92 CO 0.15 0.35 -0.15 -0.22 0.41 0.00 0.00 173.24 173.77 2a39 s LEU 93 N -0.71 2.49 -0.21 2.44 2.96 0.12 -1.75 118.68 124.02 2a39 s LEU 93 Ca 0.11 -0.73 -0.07 0.00 -0.22 0.00 0.00 54.13 53.22 2a39 s LEU 93 Cb -0.11 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2a39 s LEU 93 CO 0.02 -0.04 0.07 -0.60 -1.32 0.00 0.00 176.35 174.48 2a39 s ARG 94 N 1.30 3.83 -0.23 1.98 3.52 -0.25 -0.31 118.95 128.79 2a39 s ARG 94 Ca 0.03 -0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 55.20 2a39 s ARG 94 Cb -0.14 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 29.99 2a39 s ARG 94 CO -0.10 0.07 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.89 2a39 s LEU 95 N 0.91 2.92 -0.21 -0.88 1.43 -0.03 -2.23 118.68 120.59 2a39 s LEU 95 Ca 0.04 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 2a39 s LEU 95 Cb -0.14 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 2a39 s LEU 95 CO 0.03 -0.06 0.12 -1.10 0.23 0.00 0.00 176.35 175.57 2a39 s GLN 96 N 1.42 4.07 0.07 1.70 -0.21 0.22 -1.41 119.66 125.52 2a39 s GLN 96 Ca 0.04 -0.28 -0.11 0.00 0.02 0.00 0.00 55.36 55.03 2a39 s GLN 96 Cb -0.15 -3.39 -0.26 0.00 1.00 0.00 0.00 33.01 30.21 2a39 s GLN 96 CO -0.05 0.20 1.14 1.25 -2.12 0.00 0.00 175.29 175.72 2a39 h HIS 97 N 7.00 0.85 -3.44 0.91 -0.00 -1.60 -3.39 115.15 115.48 2a39 h HIS 97 Ca -0.39 -0.54 -0.52 0.00 -0.00 0.00 0.00 60.37 58.92 2a39 h HIS 97 Cb 1.16 -0.07 -0.33 0.00 -0.00 0.00 0.00 27.41 28.17 2a39 h HIS 97 CO 0.61 1.39 -0.82 0.42 -0.00 0.00 0.00 177.93 179.53 2a39 s ILE 98 N -2.95 1.20 0.52 6.26 1.01 -1.25 -2.90 121.20 123.09 2a39 s ILE 98 Ca -0.08 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2a39 s ILE 98 Cb 0.06 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 2a39 s ILE 98 CO 0.91 0.37 0.81 -0.76 0.00 0.00 0.00 174.94 176.27 2a39 s LEU 99 N 0.61 3.45 0.57 2.97 1.43 0.49 -4.74 118.68 123.45 2a39 s LEU 99 Ca -0.14 0.65 0.26 0.00 -1.03 0.00 0.00 54.13 53.86 2a39 s LEU 99 Cb -0.16 -3.52 1.55 0.00 0.03 0.00 0.00 46.19 44.10 2a39 s LEU 99 CO 0.04 -0.84 2.10 -0.65 0.23 0.00 0.00 176.35 177.23 2a39 h PRO 100 N 0.09 0.00 -0.20 1.29 0.11 -1.98 0.84 132.00 132.14 2a39 h PRO 100 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2a39 h PRO 100 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2a39 h PRO 100 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 2a39 n ASP 101 N -4.04 1.21 0.00 -2.05 5.68 -1.26 -4.92 116.55 111.16 2a39 n ASP 101 Ca 0.02 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 2a39 n ASP 101 Cb 0.32 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2a39 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a39 n GLY 102 N 0.91 2.24 3.76 6.12 0.00 0.29 -5.05 105.19 113.46 2a39 n GLY 102 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2a39 n GLY 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a39 s ARG 103 N -0.81 3.02 -0.68 1.61 0.52 -1.26 -4.77 118.95 116.57 2a39 s ARG 103 Ca 0.00 1.70 0.05 0.00 -0.52 0.00 0.00 55.73 56.96 2a39 s ARG 103 Cb 0.00 -1.95 0.18 0.00 0.52 0.00 0.00 34.95 33.70 2a39 s ARG 103 CO 0.00 -1.14 0.52 0.28 0.02 0.00 0.00 175.30 174.98 2a39 n VAL 104 N -1.67 1.57 0.16 3.52 0.31 -1.26 -0.38 118.33 120.57 2a39 n VAL 104 Ca 0.13 -4.83 0.02 0.00 -0.01 0.00 0.00 64.34 59.64 2a39 n VAL 104 Cb 0.50 -2.15 0.23 0.00 -0.91 0.00 0.00 33.84 31.52 2a39 n VAL 104 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2a39 h PRO 105 N 5.25 0.00 -6.82 5.55 0.13 -1.81 -3.48 132.00 130.82 2a39 h PRO 105 Ca 0.16 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.73 2a39 h PRO 105 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2a39 h PRO 105 CO 0.71 0.52 -1.01 0.45 -0.23 0.00 0.00 178.00 178.44 2a39 n SER 106 N -3.68 -4.42 -4.77 1.44 2.88 -1.15 -4.81 113.62 99.12 2a39 n SER 106 Ca -0.01 -1.22 -0.38 0.00 -1.33 0.00 0.00 58.87 55.94 2a39 n SER 106 Cb 0.58 -1.91 -0.02 0.00 -0.75 0.00 0.00 64.21 62.11 2a39 n SER 106 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2a39 s PRO 107 N -6.93 3.96 -0.12 -1.46 0.04 -1.26 -4.72 135.00 124.51 2a39 s PRO 107 Ca 0.43 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.28 2a39 s PRO 107 Cb -0.23 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.76 2a39 s PRO 107 CO 0.95 -0.39 -0.13 0.50 0.04 0.00 0.00 177.00 177.97 2a39 s ARG 108 N -2.45 2.06 0.17 4.56 3.52 -1.26 -2.51 118.95 123.04 2a39 s ARG 108 Ca 0.59 -0.48 0.07 0.00 -0.13 0.00 0.00 55.73 55.78 2a39 s ARG 108 Cb -0.29 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.17 2a39 s ARG 108 CO 0.37 -0.18 -0.13 0.14 -0.81 0.00 0.00 175.30 174.68 2a39 s VAL 109 N 1.35 1.51 0.18 7.11 -7.23 0.59 -1.65 120.40 122.27 2a39 s VAL 109 Ca 0.01 -2.06 0.10 0.00 -1.81 0.00 0.00 61.98 58.22 2a39 s VAL 109 Cb -0.13 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2a39 s VAL 109 CO -0.07 -0.58 -0.20 -0.31 -0.31 0.00 0.00 175.10 173.63 2a39 s TYR 110 N -2.84 1.99 -0.28 2.82 2.02 0.07 -0.47 117.35 120.67 2a39 s TYR 110 Ca 0.18 -0.43 -0.16 0.00 -0.37 0.00 0.00 57.07 56.28 2a39 s TYR 110 Cb -0.01 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.54 2a39 s TYR 110 CO 0.04 0.41 0.44 -1.17 -1.57 0.00 0.00 175.55 173.71 2a39 s LEU 111 N -2.74 4.08 0.32 -1.29 2.96 -0.85 -1.67 118.68 119.49 2a39 s LEU 111 Ca 0.18 0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 2a39 s LEU 111 Cb -0.06 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.04 2a39 s LEU 111 CO 0.08 -0.26 0.59 -0.76 -1.32 0.00 0.00 176.35 174.68 2a39 s LEU 112 N 2.20 4.01 0.00 -0.68 1.43 0.12 -1.51 118.68 124.25 2a39 s LEU 112 Ca 0.18 0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 53.94 2a39 s LEU 112 Cb -0.16 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.60 2a39 s LEU 112 CO 0.10 -0.25 0.63 -0.90 0.23 0.00 0.00 176.35 176.17 2a39 n ASP 113 N -1.11 -0.27 0.29 2.29 5.68 0.71 -2.21 116.55 121.92 2a39 n ASP 113 Ca -0.01 -1.16 0.13 0.00 -0.50 0.00 0.00 54.79 53.25 2a39 n ASP 113 Cb 0.54 -0.50 0.84 0.00 -1.14 0.00 0.00 41.12 40.86 2a39 n ASP 113 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2a39 h LYS 114 N 0.00 0.00 0.00 0.11 3.64 -1.87 -1.08 116.57 117.36 2a39 h LYS 114 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2a39 h LYS 114 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2a39 h LYS 114 CO 0.15 0.01 -0.22 1.79 -2.27 0.00 0.00 179.45 178.91 2a39 h THR 115 N 0.00 0.00 0.00 1.00 1.35 -1.91 -3.48 112.91 109.87 2a39 h THR 115 Ca -0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2a39 h THR 115 Cb 0.03 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2a39 h THR 115 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 2a39 n LYS 116 N -2.63 -0.35 0.00 4.72 5.02 -0.41 -4.80 118.16 119.70 2a39 n LYS 116 Ca 0.04 0.09 0.03 0.00 -2.02 0.00 0.00 58.31 56.45 2a39 n LYS 116 Cb 0.49 -3.38 0.02 0.00 -0.02 0.00 0.00 35.03 32.14 2a39 n LYS 116 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2a39 n ARG 117 N -1.92 -0.04 -3.84 1.97 3.00 -1.26 -3.61 116.66 110.96 2a39 n ARG 117 Ca 0.00 -0.82 -0.12 0.00 -0.01 0.00 0.00 57.85 56.91 2a39 n ARG 117 Cb 0.09 -1.10 -0.11 0.00 0.00 0.00 0.00 32.46 31.34 2a39 n ARG 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2a39 s ARG 118 N -0.51 0.37 0.53 5.56 3.52 -1.26 -4.47 118.95 122.69 2a39 s ARG 118 Ca 0.07 -0.12 -0.19 0.00 -0.13 0.00 0.00 55.73 55.35 2a39 s ARG 118 Cb 0.05 0.16 -0.06 0.00 -1.56 0.00 0.00 34.95 33.53 2a39 s ARG 118 CO 0.08 -0.08 1.10 0.71 -0.81 0.00 0.00 175.30 176.30 2a39 s TYR 119 N -0.75 2.77 -0.07 5.12 2.02 0.42 -0.21 117.35 126.65 2a39 s TYR 119 Ca -0.08 1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 57.87 2a39 s TYR 119 Cb -0.05 -3.22 -0.05 0.00 -0.40 0.00 0.00 41.96 38.25 2a39 s TYR 119 CO 0.01 -1.36 1.56 -2.00 -1.57 0.00 0.00 175.55 172.20 2a39 s GLU 120 N -3.30 4.20 -0.23 -0.62 2.56 -0.57 -4.44 118.70 116.30 2a39 s GLU 120 Ca 0.71 2.08 -0.19 0.00 0.00 0.00 0.00 54.97 57.57 2a39 s GLU 120 Cb -0.21 -3.90 -0.03 0.00 2.00 0.00 0.00 34.13 31.99 2a39 s GLU 120 CO 0.25 -0.80 0.56 -1.64 -0.56 0.00 0.00 175.26 173.08 2a39 s MET 121 N 3.77 4.14 -0.13 4.30 -1.94 -1.26 -4.46 119.30 123.73 2a39 s MET 121 Ca 0.69 0.45 -0.09 0.00 -1.71 0.00 0.00 55.69 55.03 2a39 s MET 121 Cb -0.31 -3.61 -0.05 0.00 2.01 0.00 0.00 34.83 32.88 2a39 s MET 121 CO 0.27 -0.28 0.19 -0.51 -0.01 0.00 0.00 175.02 174.68 2a39 s LEU 122 N 2.05 4.35 -0.57 -0.03 1.43 0.12 -4.84 118.68 121.18 2a39 s LEU 122 Ca 0.24 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 2a39 s LEU 122 Cb -0.16 -2.18 0.14 0.00 0.03 0.00 0.00 46.19 44.03 2a39 s LEU 122 CO 0.09 0.31 0.34 -1.00 0.23 0.00 0.00 176.35 176.32 2a39 s HIS 123 N -0.57 3.15 -1.04 0.29 3.76 -1.26 -1.50 115.29 118.12 2a39 s HIS 123 Ca 0.15 -3.14 0.23 0.00 -0.15 0.00 0.00 55.06 52.15 2a39 s HIS 123 Cb -0.13 -2.65 0.18 0.00 1.11 0.00 0.00 32.58 31.10 2a39 s HIS 123 CO 0.04 -0.68 1.19 1.28 -0.85 0.00 0.00 174.74 175.71 2a39 n LEU 124 N 2.76 0.76 -4.68 0.89 4.77 -1.20 -4.84 117.00 115.46 2a39 n LEU 124 Ca 0.11 -0.24 -0.44 0.00 -0.03 0.00 0.00 56.01 55.41 2a39 n LEU 124 Cb 0.34 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2a39 n LEU 124 CO 0.30 0.19 1.47 0.41 -1.33 0.00 0.00 177.39 178.43 2a39 n THR 125 N -1.45 0.44 -0.53 -5.08 -1.04 -1.26 -1.07 114.28 104.29 2a39 n THR 125 Ca 0.05 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2a39 n THR 125 Cb 0.34 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 2a39 n THR 125 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2a39 n GLY 126 N 4.23 0.75 1.68 3.41 0.00 0.91 -4.96 105.19 111.21 2a39 n GLY 126 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2a39 n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2a39 n PHE 127 N -2.29 0.15 -4.09 1.61 3.72 -0.23 -4.51 117.46 111.82 2a39 n PHE 127 Ca 0.00 -1.29 -0.14 0.00 -0.05 0.00 0.00 57.45 55.98 2a39 n PHE 127 Cb 0.00 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.39 2a39 n PHE 127 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2a39 s GLU 128 N -2.79 0.51 -0.07 -1.08 -1.05 0.13 -1.46 118.70 112.89 2a39 s GLU 128 Ca 0.09 -0.63 0.03 0.00 -0.15 0.00 0.00 54.97 54.30 2a39 s GLU 128 Cb 0.00 -0.33 0.01 0.00 -0.44 0.00 0.00 34.13 33.38 2a39 s GLU 128 CO 0.06 0.07 -0.15 0.12 0.95 0.00 0.00 175.26 176.30 2a39 s PHE 129 N -1.10 1.74 0.00 4.83 2.19 -0.18 -1.44 117.98 124.03 2a39 s PHE 129 Ca -0.07 -0.66 -0.01 0.00 0.33 0.00 0.00 56.93 56.52 2a39 s PHE 129 Cb -0.08 -1.23 -0.01 0.00 -1.31 0.00 0.00 43.02 40.39 2a39 s PHE 129 CO 0.00 -0.30 0.02 0.99 1.83 0.00 0.00 175.22 177.76 2a39 s THR 130 N 0.54 0.06 0.15 0.12 2.01 -0.03 -1.00 115.64 117.50 2a39 s THR 130 Ca -0.15 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 2a39 s THR 130 Cb -0.16 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.16 2a39 s THR 130 CO 0.05 -0.29 0.35 0.72 -0.69 0.00 0.00 174.62 174.76 2a39 s PHE 131 N -0.86 0.12 -0.06 4.92 -0.71 -0.91 -0.91 117.98 119.56 2a39 s PHE 131 Ca -0.09 -0.49 -0.03 0.00 -1.04 0.00 0.00 56.93 55.28 2a39 s PHE 131 Cb -0.06 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 2a39 s PHE 131 CO -0.00 -0.73 0.10 -0.51 -1.34 0.00 0.00 175.22 172.73 2a39 s ASP 132 N -2.90 5.94 0.03 1.98 1.01 0.04 -1.07 116.67 121.71 2a39 s ASP 132 Ca 0.11 0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.67 2a39 s ASP 132 Cb 0.02 -1.81 -0.02 0.00 1.01 0.00 0.00 42.92 42.13 2a39 s ASP 132 CO -0.05 0.34 -0.07 0.54 0.21 0.00 0.00 175.17 176.15 2a39 s VAL 133 N -1.09 0.48 -0.39 -1.27 0.11 0.04 -0.51 120.40 117.77 2a39 s VAL 133 Ca 0.19 -0.87 -0.02 0.00 -2.93 0.00 0.00 61.98 58.34 2a39 s VAL 133 Cb -0.12 -0.52 0.10 0.00 -1.53 0.00 0.00 36.38 34.31 2a39 s VAL 133 CO 0.09 -0.28 0.16 -0.62 -3.33 0.00 0.00 175.10 171.12 2a39 s ASP 134 N -1.24 5.16 -0.09 3.54 -1.08 -0.88 -2.03 116.67 120.04 2a39 s ASP 134 Ca -0.08 -1.95 0.18 0.00 -0.52 0.00 0.00 52.55 50.18 2a39 s ASP 134 Cb -0.08 -1.79 0.66 0.00 -1.46 0.00 0.00 42.92 40.25 2a39 s ASP 134 CO 0.00 -0.49 1.57 0.00 0.52 0.00 0.00 175.17 176.77 2a39 n ALA 135 N 4.56 2.91 0.12 3.66 0.00 -1.26 -3.35 120.51 127.15 2a39 n ALA 135 Ca -0.03 -1.58 0.05 0.00 0.00 0.00 0.00 53.44 51.88 2a39 n ALA 135 Cb 0.42 -0.92 0.48 0.00 0.00 0.00 0.00 19.45 19.42 2a39 n ALA 135 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2a39 h THR 136 N 3.75 1.10 -0.53 0.00 1.35 -1.89 -3.00 112.91 113.68 2a39 h THR 136 Ca 0.00 -0.35 -0.28 0.00 -0.55 0.00 0.00 66.41 65.23 2a39 h THR 136 Cb 1.33 0.91 -0.16 0.00 -1.73 0.00 0.00 68.15 68.50 2a39 h THR 136 CO 0.18 0.12 0.36 0.29 -0.25 0.00 0.00 175.52 176.22 2a39 n LYS 137 N -4.42 1.68 -3.85 4.72 5.02 -1.26 -4.75 118.16 115.30 2a39 n LYS 137 Ca -0.00 -1.61 -0.30 0.00 -2.02 0.00 0.00 58.31 54.38 2a39 n LYS 137 Cb 0.14 -1.63 -0.14 0.00 -0.02 0.00 0.00 35.03 33.38 2a39 n LYS 137 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2a39 s LEU 138 N -1.77 3.51 1.06 -0.35 1.43 -1.13 -3.30 118.68 118.13 2a39 s LEU 138 Ca 0.31 -2.53 -0.18 0.00 -1.03 0.00 0.00 54.13 50.70 2a39 s LEU 138 Cb 0.26 -1.31 0.24 0.00 0.03 0.00 0.00 46.19 45.41 2a39 s LEU 138 CO 0.06 -0.30 1.28 -2.16 0.23 0.00 0.00 176.35 175.46 2a39 s PRO 139 N 0.42 -0.14 0.38 1.29 0.04 -1.26 -0.37 135.00 135.36 2a39 s PRO 139 Ca 0.15 -0.40 -0.24 0.00 0.04 0.00 0.00 61.00 60.55 2a39 s PRO 139 Cb -0.23 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 2a39 s PRO 139 CO -0.05 -2.94 0.69 0.00 0.04 0.00 0.00 177.00 174.74 2a39 n GLY 141 N 1.62 3.11 3.83 0.00 0.00 -1.26 -4.41 105.19 108.08 2a39 n GLY 141 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2a39 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a39 s MET 142 N -0.37 4.10 -0.19 1.61 1.00 -0.93 -4.26 119.30 120.26 2a39 s MET 142 Ca 0.00 0.70 0.01 0.00 0.00 0.00 0.00 55.69 56.39 2a39 s MET 142 Cb 0.00 -2.76 0.04 0.00 0.00 0.00 0.00 34.83 32.11 2a39 s MET 142 CO 0.00 0.34 -0.11 1.21 0.00 0.00 0.00 175.02 176.46 2a39 s ASN 143 N -1.88 3.26 -0.25 3.03 3.84 -0.18 -4.41 114.94 118.36 2a39 s ASN 143 Ca 0.45 -0.81 -0.12 0.00 0.21 0.00 0.00 52.86 52.59 2a39 s ASN 143 Cb -0.14 -1.23 -0.05 0.00 -0.55 0.00 0.00 41.25 39.28 2a39 s ASN 143 CO 0.20 -0.13 0.25 -0.94 -2.79 0.00 0.00 177.10 173.69 2a39 s SER 144 N 1.41 6.18 0.08 -4.21 1.04 -0.36 -1.57 113.70 116.26 2a39 s SER 144 Ca 0.00 0.19 0.10 0.00 0.48 0.00 0.00 55.95 56.71 2a39 s SER 144 Cb -0.16 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 2a39 s SER 144 CO -0.09 -0.03 -0.25 0.00 0.98 0.00 0.00 173.24 173.85 2a39 s ALA 145 N 1.46 2.19 -0.20 5.32 0.00 0.88 -1.72 121.76 129.68 2a39 s ALA 145 Ca 0.11 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 2a39 s ALA 145 Cb -0.15 -0.40 0.09 0.00 0.00 0.00 0.00 23.12 22.67 2a39 s ALA 145 CO 0.08 0.50 0.21 -1.17 0.00 0.00 0.00 175.76 175.38 2a39 s LEU 146 N -1.61 -0.06 0.30 0.00 0.20 0.63 -1.38 118.68 116.76 2a39 s LEU 146 Ca 0.11 -0.28 -0.10 0.00 0.69 0.00 0.00 54.13 54.55 2a39 s LEU 146 Cb -0.10 0.32 0.01 0.00 -0.43 0.00 0.00 46.19 45.99 2a39 s LEU 146 CO 0.04 -0.33 0.54 -0.72 -0.29 0.00 0.00 176.35 175.59 2a39 s TYR 147 N 2.31 0.53 0.04 5.38 1.13 -0.29 -0.68 117.35 125.76 2a39 s TYR 147 Ca 0.07 -0.90 0.09 0.00 -1.41 0.00 0.00 57.07 54.91 2a39 s TYR 147 Cb -0.16 0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 40.91 2a39 s TYR 147 CO -0.12 -1.15 -0.25 -0.51 -2.51 0.00 0.00 175.55 171.01 2a39 s LEU 148 N -3.09 2.22 0.03 -3.49 1.43 -0.45 -0.11 118.68 115.22 2a39 s LEU 148 Ca 0.23 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2a39 s LEU 148 Cb -0.02 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 2a39 s LEU 148 CO 0.13 0.26 -0.10 -0.44 0.23 0.00 0.00 176.35 176.43 2a39 s SER 149 N -1.21 1.18 -1.38 2.29 0.01 -0.72 -0.35 113.70 113.51 2a39 s SER 149 Ca 0.12 -0.40 -0.12 0.00 1.31 0.00 0.00 55.95 56.86 2a39 s SER 149 Cb -0.10 -0.06 0.09 0.00 0.21 0.00 0.00 66.02 66.17 2a39 s SER 149 CO 0.02 -0.03 2.10 1.21 0.41 0.00 0.00 173.24 176.95 2a39 n GLU 150 N 2.02 3.22 -2.42 12.44 2.13 -0.86 -1.46 120.64 135.71 2a39 n GLU 150 Ca -0.18 -3.00 -0.28 0.00 0.66 0.00 0.00 57.16 54.36 2a39 n GLU 150 Cb 0.55 -3.11 0.01 0.00 0.27 0.00 0.00 31.44 29.16 2a39 n GLU 150 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2a39 s MET 151 N 1.90 3.31 0.28 5.31 -1.94 -1.26 -3.67 119.30 123.23 2a39 s MET 151 Ca 0.44 0.21 -0.29 0.00 -1.71 0.00 0.00 55.69 54.34 2a39 s MET 151 Cb 0.12 -2.29 -0.09 0.00 2.01 0.00 0.00 34.83 34.58 2a39 s MET 151 CO -0.05 -0.45 1.12 -1.58 -0.01 0.00 0.00 175.02 174.05 2a39 s HIS 152 N -2.91 3.53 0.52 -0.03 2.46 -1.26 -4.72 115.29 112.88 2a39 s HIS 152 Ca 0.51 1.66 0.19 0.00 0.47 0.00 0.00 55.06 57.90 2a39 s HIS 152 Cb -0.10 -3.32 1.35 0.00 -0.13 0.00 0.00 32.58 30.38 2a39 s HIS 152 CO 0.46 -0.68 2.14 -1.35 -2.47 0.00 0.00 174.74 172.85 2a39 h PRO 153 N 3.89 0.00 -0.41 2.88 0.11 -1.96 -0.79 132.00 135.72 2a39 h PRO 153 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2a39 h PRO 153 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2a39 h PRO 153 CO 0.67 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 2a39 n THR 154 N -4.30 0.98 -1.48 -1.15 -2.24 -1.26 -0.43 114.28 104.40 2a39 n THR 154 Ca -0.03 -0.99 -0.05 0.00 -2.27 0.00 0.00 64.05 60.71 2a39 n THR 154 Cb 0.13 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 2a39 n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a39 n GLY 155 N 0.71 0.57 3.15 3.38 0.00 -0.30 -0.67 105.19 112.03 2a39 n GLY 155 Ca 0.14 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 2a39 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a39 n ALA 156 N 0.29 -1.29 -1.69 4.61 0.00 -1.26 -4.12 120.51 117.04 2a39 n ALA 156 Ca -0.06 0.20 -0.44 0.00 0.00 0.00 0.00 53.44 53.14 2a39 n ALA 156 Cb 0.30 -3.74 -0.03 0.00 0.00 0.00 0.00 19.45 15.99 2a39 n ALA 156 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2a39 n LYS 157 N -3.99 2.21 -2.04 0.00 4.81 -1.16 -4.82 118.16 113.18 2a39 n LYS 157 Ca -0.08 0.79 -0.03 0.00 -0.87 0.00 0.00 58.31 58.11 2a39 n LYS 157 Cb 0.58 -2.49 0.01 0.00 0.02 0.00 0.00 35.03 33.15 2a39 n LYS 157 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2a39 n SER 158 N 2.32 -0.77 0.11 3.14 3.41 -0.24 -4.98 113.62 116.61 2a39 n SER 158 Ca 0.12 -1.58 -0.13 0.00 -0.26 0.00 0.00 58.87 57.02 2a39 n SER 158 Cb 0.32 1.30 -0.07 0.00 -0.26 0.00 0.00 64.21 65.51 2a39 n SER 158 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2a39 h LYS 159 N 0.00 -0.25 -0.02 4.33 3.64 -1.99 -2.81 116.57 119.46 2a39 h LYS 159 Ca -0.12 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2a39 h LYS 159 Cb 0.44 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2a39 h LYS 159 CO 0.15 -0.17 0.00 0.66 -2.27 0.00 0.00 179.45 177.82 2a39 n TYR 160 N -5.23 0.02 -3.21 1.91 4.01 -1.26 -4.22 117.16 109.17 2a39 n TYR 160 Ca -0.08 -0.01 -0.24 0.00 -0.16 0.00 0.00 57.90 57.42 2a39 n TYR 160 Cb 0.15 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.12 2a39 n TYR 160 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2a39 n ASN 161 N -0.35 0.79 0.20 7.72 5.15 -1.08 -4.70 115.26 122.99 2a39 n ASN 161 Ca 0.20 -2.85 0.05 0.00 -0.60 0.00 0.00 54.58 51.39 2a39 n ASN 161 Cb 0.24 -0.64 0.42 0.00 -0.53 0.00 0.00 39.78 39.27 2a39 n ASN 161 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2a39 h PRO 162 N 3.86 0.00 -0.27 1.20 0.13 -1.68 -0.62 132.00 134.63 2a39 h PRO 162 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 2a39 h PRO 162 Cb 0.86 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 2a39 h PRO 162 CO 0.52 0.33 0.07 0.78 -0.23 0.00 0.00 178.00 179.46 2a39 h GLY 163 N 1.35 0.46 0.00 1.56 0.00 -1.92 -3.46 103.07 101.06 2a39 h GLY 163 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2a39 h GLY 163 CO 0.04 0.27 0.00 0.61 0.00 0.00 0.00 176.54 177.46 2a39 n GLY 164 N -0.56 0.76 0.40 4.60 0.00 -1.24 -3.33 105.19 105.82 2a39 n GLY 164 Ca -0.03 -0.78 0.20 0.00 0.00 0.00 0.00 46.02 45.42 2a39 n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a39 h ALA 165 N -0.88 2.43 -0.43 4.61 0.00 -1.12 -1.36 119.26 122.51 2a39 h ALA 165 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2a39 h ALA 165 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2a39 h ALA 165 CO 0.00 -0.62 0.38 -0.92 0.00 0.00 0.00 179.25 178.09 2a39 h TYR 166 N 0.15 0.00 -0.30 0.00 5.03 -1.61 -0.78 116.97 119.46 2a39 h TYR 166 Ca 0.33 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.64 2a39 h TYR 166 Cb 1.10 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.38 2a39 h TYR 166 CO -0.00 0.00 0.00 0.66 -1.32 0.00 0.00 178.16 177.50 2a39 n TYR 167 N -4.02 0.40 -2.53 -3.82 4.02 -0.53 -5.00 117.16 105.68 2a39 n TYR 167 Ca 0.08 -0.48 -0.07 0.00 -0.01 0.00 0.00 57.90 57.42 2a39 n TYR 167 Cb 0.57 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 39.87 2a39 n TYR 167 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2a39 n GLY 168 N 0.41 0.35 3.91 2.72 0.00 -0.30 -3.09 105.19 109.18 2a39 n GLY 168 Ca 0.10 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 2a39 n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a39 s THR 169 N -2.76 3.86 0.00 2.61 -4.23 -1.12 -1.46 115.64 112.54 2a39 s THR 169 Ca 0.10 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2a39 s THR 169 Cb -0.04 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2a39 s THR 169 CO 0.12 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 2a39 n GLY 170 N -2.64 0.95 3.74 3.99 0.00 -1.26 -4.48 105.19 105.49 2a39 n GLY 170 Ca 0.05 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2a39 n GLY 170 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2a39 n TYR 171 N -2.11 2.26 -3.62 1.61 9.36 -1.26 -4.54 117.16 118.85 2a39 n TYR 171 Ca 0.00 0.44 -0.11 0.00 3.32 0.00 0.00 57.90 61.55 2a39 n TYR 171 Cb 0.00 -2.36 -0.04 0.00 -0.63 0.00 0.00 39.34 36.31 2a39 n TYR 171 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2a39 n ASP 173 N -0.27 -1.74 0.00 0.00 5.68 -1.21 -4.77 116.55 114.25 2a39 n ASP 173 Ca -0.15 -2.18 0.12 0.00 -0.50 0.00 0.00 54.79 52.08 2a39 n ASP 173 Cb 0.64 2.89 0.69 0.00 -1.14 0.00 0.00 41.12 44.20 2a39 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a39 n ALA 174 N -1.14 2.36 0.89 2.12 0.00 -1.07 -2.01 120.51 121.66 2a39 n ALA 174 Ca -0.13 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.29 2a39 n ALA 174 Cb 0.46 -1.39 0.22 0.00 0.00 0.00 0.00 19.45 18.74 2a39 n ALA 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2a39 n GLN 175 N -1.05 0.07 -3.62 0.00 1.13 -1.26 -4.21 117.38 108.45 2a39 n GLN 175 Ca 0.17 0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 55.04 2a39 n GLN 175 Cb 0.10 -1.54 0.05 0.00 0.11 0.00 0.00 30.24 28.96 2a39 n GLN 175 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2a39 s PHE 177 N -3.56 3.17 -0.19 0.00 0.08 -1.25 -4.02 117.98 112.21 2a39 s PHE 177 Ca 0.02 1.54 -0.22 0.00 0.12 0.00 0.00 56.93 58.39 2a39 s PHE 177 Cb -0.01 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 2a39 s PHE 177 CO 0.79 -0.64 0.68 0.08 -0.10 0.00 0.00 175.22 176.03 2a39 s VAL 178 N -2.29 4.98 0.15 -0.44 1.01 -1.26 -0.90 120.40 121.65 2a39 s VAL 178 Ca 0.63 1.30 0.08 0.00 0.00 0.00 0.00 61.98 64.00 2a39 s VAL 178 Cb -0.13 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2a39 s VAL 178 CO 0.25 0.09 -0.19 0.42 0.00 0.00 0.00 175.10 175.67 2a39 s THR 179 N 1.97 1.78 0.40 3.92 -4.23 -1.26 -0.51 115.64 117.72 2a39 s THR 179 Ca 0.31 -1.82 0.07 0.00 -1.18 0.00 0.00 61.69 59.07 2a39 s THR 179 Cb -0.16 -1.77 0.25 0.00 1.34 0.00 0.00 72.50 72.16 2a39 s THR 179 CO 0.11 -0.25 2.03 1.55 -0.54 0.00 0.00 174.62 177.51 2a39 h PRO 180 N 3.47 0.53 -6.51 3.99 0.13 -1.63 -3.41 132.00 128.57 2a39 h PRO 180 Ca -0.43 -0.05 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 2a39 h PRO 180 Cb 1.20 -0.11 -0.29 0.00 0.13 0.00 0.00 31.00 31.93 2a39 h PRO 180 CO 0.48 0.39 -0.88 -0.06 -0.23 0.00 0.00 178.00 177.70 2a39 s PHE 181 N -5.40 2.22 -0.07 1.56 0.40 -1.26 -0.97 117.98 114.46 2a39 s PHE 181 Ca -0.08 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2a39 s PHE 181 Cb 0.17 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 42.33 2a39 s PHE 181 CO 0.74 0.00 0.00 0.42 0.70 0.00 0.00 175.22 177.08 2a39 s ILE 182 N -0.64 0.37 -1.44 0.64 1.01 -0.30 -4.77 121.20 116.07 2a39 s ILE 182 Ca 0.10 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 2a39 s ILE 182 Cb -0.10 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.84 2a39 s ILE 182 CO -0.00 0.25 0.28 0.59 0.00 0.00 0.00 174.94 176.05 2a39 n ASN 183 N 5.15 -5.39 -0.88 3.58 3.02 -1.26 -1.75 115.26 117.73 2a39 n ASN 183 Ca -0.07 -0.14 -0.11 0.00 -0.03 0.00 0.00 54.58 54.23 2a39 n ASN 183 Cb 0.50 -4.34 -0.05 0.00 -0.61 0.00 0.00 39.78 35.28 2a39 n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a39 n GLY 184 N -1.23 1.25 3.29 7.41 0.00 -1.26 -4.80 105.19 109.85 2a39 n GLY 184 Ca -0.15 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 2a39 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a39 s LEU 185 N -2.60 2.10 0.26 0.99 1.43 -0.72 -4.40 118.68 115.75 2a39 s LEU 185 Ca 0.00 -0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.30 2a39 s LEU 185 Cb 0.00 -1.20 -0.13 0.00 0.03 0.00 0.00 46.19 44.90 2a39 s LEU 185 CO 0.00 0.26 1.52 0.61 0.23 0.00 0.00 176.35 178.97 2a39 n GLY 186 N 2.16 1.10 2.74 -3.19 0.00 -1.26 -1.15 105.19 105.59 2a39 n GLY 186 Ca -0.16 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 2a39 n GLY 186 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2a39 n ASN 187 N 2.35 6.64 -0.30 1.61 5.15 -0.15 -4.80 115.26 125.76 2a39 n ASN 187 Ca 0.11 -3.27 0.13 0.00 -0.60 0.00 0.00 54.58 50.94 2a39 n ASN 187 Cb 0.34 -1.35 0.29 0.00 -0.53 0.00 0.00 39.78 38.53 2a39 n ASN 187 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2a39 h ILE 188 N 3.08 0.41 -0.01 -1.44 1.08 -1.89 0.20 117.51 118.96 2a39 h ILE 188 Ca 0.47 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.84 2a39 h ILE 188 Cb 0.48 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2a39 h ILE 188 CO 1.45 0.06 -0.00 -0.62 -0.69 0.00 0.00 178.15 178.35 2a39 n GLU 189 N -5.12 1.29 -2.76 2.37 1.02 -1.26 -4.89 120.64 111.29 2a39 n GLU 189 Ca 0.21 -0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 56.80 2a39 n GLU 189 Cb 0.65 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.61 2a39 n GLU 189 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a39 n GLY 190 N 1.08 0.02 3.84 0.62 0.00 0.72 -5.01 105.19 106.46 2a39 n GLY 190 Ca 0.22 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2a39 n GLY 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a39 s LYS 191 N -5.27 1.81 0.15 1.61 1.02 -1.26 -4.95 119.74 112.85 2a39 s LYS 191 Ca 0.20 0.31 -0.01 0.00 0.02 0.00 0.00 55.97 56.48 2a39 s LYS 191 Cb -0.09 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2a39 s LYS 191 CO 0.24 -1.74 0.34 0.20 -0.92 0.00 0.00 175.35 173.47 2a39 s GLY 192 N -4.24 1.95 -0.46 -3.33 0.00 -0.61 -4.35 107.32 96.28 2a39 s GLY 192 Ca 0.62 -0.80 -0.12 0.00 0.00 0.00 0.00 44.72 44.42 2a39 s GLY 192 CO 0.52 -0.76 0.35 -0.45 0.00 0.00 0.00 173.10 172.75 2a39 s SER 193 N -2.90 5.88 -0.00 1.64 0.15 -0.08 -2.16 113.70 116.24 2a39 s SER 193 Ca 0.38 -1.56 0.05 0.00 0.70 0.00 0.00 55.95 55.52 2a39 s SER 193 Cb -0.12 -2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 2a39 s SER 193 CO 0.28 -0.64 -0.14 0.00 1.20 0.00 0.00 173.24 173.93 2a39 n ASN 196 N 0.03 1.86 -3.76 0.00 3.02 -1.26 -2.59 115.26 112.56 2a39 n ASN 196 Ca -0.05 1.04 -0.13 0.00 -0.03 0.00 0.00 54.58 55.41 2a39 n ASN 196 Cb 0.60 -1.44 -0.14 0.00 -0.61 0.00 0.00 39.78 38.19 2a39 n ASN 196 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2a39 s GLU 197 N -2.24 0.14 -0.32 3.52 2.12 -0.68 -2.04 118.70 119.20 2a39 s GLU 197 Ca 0.64 0.37 -0.03 0.00 0.36 0.00 0.00 54.97 56.31 2a39 s GLU 197 Cb -0.51 -0.11 0.05 0.00 0.26 0.00 0.00 34.13 33.82 2a39 s GLU 197 CO 0.56 -0.13 0.04 1.41 -0.54 0.00 0.00 175.26 176.60 2a39 s MET 198 N 0.95 2.44 -0.80 4.30 -2.45 0.52 -0.55 119.30 123.71 2a39 s MET 198 Ca -0.07 -1.29 -0.22 0.00 -1.25 0.00 0.00 55.69 52.86 2a39 s MET 198 Cb -0.09 -3.29 0.08 0.00 1.25 0.00 0.00 34.83 32.78 2a39 s MET 198 CO -0.05 -0.67 1.13 -0.51 1.05 0.00 0.00 175.02 175.97 2a39 s ASP 199 N 1.34 6.35 0.03 1.11 1.01 0.13 -1.34 116.67 125.30 2a39 s ASP 199 Ca -0.03 -1.27 -0.26 0.00 0.71 0.00 0.00 52.55 51.69 2a39 s ASP 199 Cb -0.20 -2.46 -0.17 0.00 1.01 0.00 0.00 42.92 41.10 2a39 s ASP 199 CO -0.00 -1.41 1.40 0.40 0.21 0.00 0.00 175.17 175.77 2a39 h ILE 200 N 6.07 0.78 -3.24 0.77 2.04 -1.79 0.38 117.51 122.51 2a39 h ILE 200 Ca -0.09 -0.45 -0.46 0.00 1.00 0.00 0.00 64.86 64.86 2a39 h ILE 200 Cb 1.05 1.03 -0.38 0.00 -0.74 0.00 0.00 36.82 37.77 2a39 h ILE 200 CO 1.21 0.10 -0.77 0.86 0.00 0.00 0.00 178.15 179.54 2a39 s TRP 201 N -5.13 0.88 -0.24 1.37 -0.11 0.15 -4.53 118.94 111.32 2a39 s TRP 201 Ca -0.15 -0.36 -0.01 0.00 1.22 0.00 0.00 56.10 56.80 2a39 s TRP 201 Cb 0.03 -0.92 0.07 0.00 -1.50 0.00 0.00 33.47 31.15 2a39 s TRP 201 CO 0.59 -0.40 0.02 -1.21 -4.62 0.00 0.00 176.95 171.34 2a39 s GLU 202 N 1.90 1.05 0.24 5.86 2.02 -0.87 -0.27 118.70 128.64 2a39 s GLU 202 Ca 0.04 -0.84 -0.19 0.00 0.02 0.00 0.00 54.97 54.01 2a39 s GLU 202 Cb -0.13 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.82 2a39 s GLU 202 CO -0.06 -0.72 0.61 0.00 0.02 0.00 0.00 175.26 175.11 2a39 s ALA 203 N 1.60 -0.97 0.00 5.21 0.00 -0.70 -0.99 121.76 125.90 2a39 s ALA 203 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2a39 s ALA 203 Cb -0.18 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.84 2a39 s ALA 203 CO -0.11 -0.92 0.00 0.27 0.00 0.00 0.00 175.76 175.00 2a39 n ASN 204 N -0.41 0.00 0.00 0.00 0.23 -0.66 -1.23 115.26 113.20 2a39 n ASN 204 Ca -0.06 -0.44 0.14 0.00 -0.53 0.00 0.00 54.58 53.69 2a39 n ASN 204 Cb 0.61 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 39.01 2a39 n ASN 204 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2a39 n SER 205 N -1.32 0.00 -0.03 0.53 3.41 0.51 -3.70 113.62 113.01 2a39 n SER 205 Ca 0.00 0.02 0.01 0.00 -0.26 0.00 0.00 58.87 58.64 2a39 n SER 205 Cb 0.00 -0.34 -0.11 0.00 -0.26 0.00 0.00 64.21 63.51 2a39 n SER 205 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2a39 n ARG 206 N -1.34 1.04 -3.72 4.33 5.12 -1.26 -3.75 116.66 117.09 2a39 n ARG 206 Ca 0.12 -0.08 -0.14 0.00 -1.93 0.00 0.00 57.85 55.83 2a39 n ARG 206 Cb 0.26 -1.33 -0.08 0.00 -1.16 0.00 0.00 32.46 30.15 2a39 n ARG 206 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2a39 s ALA 207 N -2.69 -0.92 -0.06 7.54 0.00 -1.24 -4.66 121.76 119.72 2a39 s ALA 207 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2a39 s ALA 207 Cb 0.07 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.35 2a39 s ALA 207 CO 0.56 -0.32 -0.04 0.45 0.00 0.00 0.00 175.76 176.40 2a39 s SER 208 N -1.52 1.35 0.02 0.00 0.15 -1.26 -1.65 113.70 110.80 2a39 s SER 208 Ca -0.11 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.45 2a39 s SER 208 Cb -0.03 -0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.72 2a39 s SER 208 CO 0.03 -0.09 -0.19 -2.28 1.20 0.00 0.00 173.24 171.91 2a39 s HIS 209 N 1.27 1.67 -0.02 3.44 5.04 -0.17 -4.39 115.29 122.14 2a39 s HIS 209 Ca -0.05 -0.35 0.05 0.00 -1.54 0.00 0.00 55.06 53.17 2a39 s HIS 209 Cb -0.14 -1.02 -0.01 0.00 0.04 0.00 0.00 32.58 31.46 2a39 s HIS 209 CO -0.02 0.04 -0.16 0.08 -2.34 0.00 0.00 174.74 172.35 2a39 s VAL 210 N -0.69 1.26 -0.30 0.89 1.01 -0.75 -2.04 120.40 119.79 2a39 s VAL 210 Ca 0.06 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 2a39 s VAL 210 Cb -0.08 -1.06 0.14 0.00 0.00 0.00 0.00 36.38 35.39 2a39 s VAL 210 CO 0.01 0.36 0.81 0.00 0.00 0.00 0.00 175.10 176.28 2a39 s ALA 211 N -0.30 -2.33 0.28 5.51 0.00 0.12 -1.08 121.76 123.97 2a39 s ALA 211 Ca 0.04 2.22 -0.28 0.00 0.00 0.00 0.00 51.96 53.94 2a39 s ALA 211 Cb -0.07 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 21.07 2a39 s ALA 211 CO -0.00 -0.90 0.98 -1.25 0.00 0.00 0.00 175.76 174.58 2a39 s PRO 212 N 2.61 4.68 -0.15 0.00 0.04 -1.26 0.20 135.00 141.13 2a39 s PRO 212 Ca -0.05 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 2a39 s PRO 212 Cb -0.09 -3.06 0.04 0.00 0.04 0.00 0.00 34.50 31.43 2a39 s PRO 212 CO -0.18 0.34 -0.05 -1.01 0.04 0.00 0.00 177.00 176.14 2a39 s HIS 213 N -1.35 1.56 0.29 0.56 3.76 0.29 -1.74 115.29 118.66 2a39 s HIS 213 Ca 0.46 -0.95 -0.02 0.00 -0.15 0.00 0.00 55.06 54.39 2a39 s HIS 213 Cb -0.25 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 2a39 s HIS 213 CO 0.31 -0.58 0.52 0.95 -0.85 0.00 0.00 174.74 175.09 2a39 s THR 214 N 1.68 5.08 0.14 1.30 -4.23 -1.26 -1.68 115.64 116.68 2a39 s THR 214 Ca 0.02 -0.18 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 2a39 s THR 214 Cb -0.15 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 2a39 s THR 214 CO -0.08 -0.38 -0.15 0.00 -0.54 0.00 0.00 174.62 173.47 2a39 n ASN 216 N 0.35 3.54 -4.24 0.00 0.23 -0.56 -4.82 115.26 109.76 2a39 n ASN 216 Ca -0.14 -2.91 -0.15 0.00 -0.53 0.00 0.00 54.58 50.85 2a39 n ASN 216 Cb 0.57 -0.69 -0.10 0.00 -2.08 0.00 0.00 39.78 37.48 2a39 n ASN 216 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2a39 s LYS 217 N -2.02 1.03 -0.12 -3.83 -0.14 -1.26 -5.13 119.74 108.27 2a39 s LYS 217 Ca 0.34 -1.36 -0.06 0.00 -1.36 0.00 0.00 55.97 53.54 2a39 s LYS 217 Cb 0.29 -0.71 -0.04 0.00 -1.68 0.00 0.00 37.83 35.69 2a39 s LYS 217 CO 0.07 0.11 0.08 0.15 -0.76 0.00 0.00 175.35 175.00 2a39 s LYS 218 N -3.34 3.43 1.82 1.68 1.02 -1.26 -4.72 119.74 118.38 2a39 s LYS 218 Ca 0.13 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.86 2a39 s LYS 218 Cb -0.00 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 2a39 s LYS 218 CO 0.01 0.64 0.00 0.41 -0.92 0.00 0.00 175.35 175.49 2a39 n GLY 219 N 2.40 -1.11 3.68 -3.33 0.00 -1.26 -4.70 105.19 100.87 2a39 n GLY 219 Ca -0.19 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 2a39 n GLY 219 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a39 s LEU 220 N 0.00 4.28 -0.11 0.99 0.20 -1.24 -4.54 118.68 118.26 2a39 s LEU 220 Ca 0.00 1.93 0.03 0.00 0.69 0.00 0.00 54.13 56.78 2a39 s LEU 220 Cb 0.00 -3.55 -0.00 0.00 -0.43 0.00 0.00 46.19 42.20 2a39 s LEU 220 CO 0.00 -0.69 -0.21 -0.47 -0.29 0.00 0.00 176.35 174.68 2a39 s TYR 221 N 2.65 2.62 -0.53 5.38 5.04 0.99 -4.95 117.35 128.56 2a39 s TYR 221 Ca 0.60 -0.97 -0.23 0.00 -2.44 0.00 0.00 57.07 54.03 2a39 s TYR 221 Cb -0.27 -1.74 0.04 0.00 0.35 0.00 0.00 41.96 40.34 2a39 s TYR 221 CO 0.23 -0.38 0.86 -0.51 -1.34 0.00 0.00 175.55 174.41 2a39 s LEU 222 N 0.35 4.27 0.46 6.97 1.43 -1.26 -1.46 118.68 129.45 2a39 s LEU 222 Ca -0.17 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 2a39 s LEU 222 Cb -0.17 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2a39 s LEU 222 CO 0.08 -1.12 0.78 0.00 0.23 0.00 0.00 176.35 176.32 2a39 s GLU 224 N -4.57 0.39 5.46 0.00 2.56 -1.26 -1.57 118.70 119.70 2a39 s GLU 224 Ca 0.48 -0.69 0.00 0.00 0.00 0.00 0.00 54.97 54.76 2a39 s GLU 224 Cb -0.10 0.01 0.00 0.00 2.00 0.00 0.00 34.13 36.03 2a39 s GLU 224 CO 0.42 -0.03 0.00 0.41 -0.56 0.00 0.00 175.26 175.51 2a39 n GLY 225 N 1.47 3.43 0.15 -1.50 0.00 -1.26 -1.66 105.19 105.81 2a39 n GLY 225 Ca -0.23 0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2a39 n GLY 225 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2a39 h GLU 226 N 0.00 0.00 0.00 1.61 4.39 -1.98 -2.36 114.58 116.24 2a39 h GLU 226 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2a39 h GLU 226 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2a39 h GLU 226 CO 0.00 0.00 -0.11 0.93 -1.16 0.00 0.00 179.01 178.67 2a39 h GLU 227 N 0.00 0.00 0.00 2.33 5.08 -1.67 -2.20 114.58 118.12 2a39 h GLU 227 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2a39 h GLU 227 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2a39 h GLU 227 CO 0.00 0.11 -0.24 0.00 -1.00 0.00 0.00 179.01 177.89 2a39 n ALA 229 N -1.67 -0.44 -0.30 0.00 0.00 -0.83 -4.81 120.51 112.47 2a39 n ALA 229 Ca 0.05 -1.40 0.05 0.00 0.00 0.00 0.00 53.44 52.15 2a39 n ALA 229 Cb 0.39 0.10 0.20 0.00 0.00 0.00 0.00 19.45 20.15 2a39 n ALA 229 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2a39 h PHE 230 N -1.01 0.82 -0.41 0.00 3.57 -1.91 0.72 116.94 118.72 2a39 h PHE 230 Ca -0.28 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.16 2a39 h PHE 230 Cb 0.91 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 2a39 h PHE 230 CO 0.00 0.26 0.12 0.39 -2.23 0.00 0.00 178.31 176.85 2a39 n GLU 231 N -4.81 2.79 0.00 1.11 -0.58 -1.26 -4.82 120.64 113.07 2a39 n GLU 231 Ca 0.16 -1.79 0.00 0.00 -0.42 0.00 0.00 57.16 55.11 2a39 n GLU 231 Cb 0.37 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2a39 n GLU 231 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a39 n GLY 232 N 0.11 1.52 0.01 0.62 0.00 0.24 -4.92 105.19 102.79 2a39 n GLY 232 Ca 0.22 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.69 2a39 n GLY 232 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a39 n VAL 233 N 0.00 0.07 -4.23 1.61 0.24 -0.69 -4.86 118.33 110.48 2a39 n VAL 233 Ca 0.00 -0.04 -0.20 0.00 -2.04 0.00 0.00 64.34 62.07 2a39 n VAL 233 Cb 0.00 -0.48 -0.12 0.00 -1.47 0.00 0.00 33.84 31.78 2a39 n VAL 233 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a39 s ASP 235 N -2.05 6.19 0.16 0.00 2.15 0.35 -4.89 116.67 118.59 2a39 s ASP 235 Ca 0.04 -1.05 -0.11 0.00 0.43 0.00 0.00 52.55 51.86 2a39 s ASP 235 Cb -0.08 -2.39 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2a39 s ASP 235 CO 0.03 -1.34 1.61 0.11 -0.17 0.00 0.00 175.17 175.41 2a39 h LYS 236 N 9.45 0.98 0.02 4.34 1.57 -1.88 -3.25 116.57 127.80 2a39 h LYS 236 Ca -0.29 -0.32 -0.25 0.00 -1.87 0.00 0.00 60.65 57.92 2a39 h LYS 236 Cb 1.07 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.32 2a39 h LYS 236 CO 1.15 0.99 -1.03 -0.91 -0.57 0.00 0.00 179.45 179.09 2a39 h ASN 237 N 0.85 0.72 -3.88 0.86 2.35 -1.93 -3.48 115.58 111.08 2a39 h ASN 237 Ca 0.15 -0.59 0.09 0.00 -0.55 0.00 0.00 56.30 55.40 2a39 h ASN 237 Cb 0.57 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 2a39 h ASN 237 CO 0.03 1.40 -0.22 0.61 -1.65 0.00 0.00 177.43 177.60 2a39 n GLY 238 N 1.07 -2.18 3.33 2.83 0.00 -1.23 -4.66 105.19 104.36 2a39 n GLY 238 Ca -0.09 -1.40 -0.46 0.00 0.00 0.00 0.00 46.02 44.07 2a39 n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a39 s GLY 240 N 3.46 2.88 -0.21 0.00 0.00 -1.26 -4.04 107.32 108.15 2a39 s GLY 240 Ca 0.08 0.53 -0.01 0.00 0.00 0.00 0.00 44.72 45.32 2a39 s GLY 240 CO 0.02 1.01 -0.01 0.86 0.00 0.00 0.00 173.10 174.99 2a39 s TRP 241 N -1.49 1.65 -0.08 1.90 -0.11 -0.24 -4.99 118.94 115.58 2a39 s TRP 241 Ca 0.47 -1.26 -0.04 0.00 1.22 0.00 0.00 56.10 56.49 2a39 s TRP 241 Cb -0.21 -1.28 0.04 0.00 -1.50 0.00 0.00 33.47 30.53 2a39 s TRP 241 CO 0.26 -0.68 0.18 1.21 -4.62 0.00 0.00 176.95 173.30 2a39 s ASN 242 N 1.65 0.11 0.29 5.86 3.84 -1.26 -1.81 114.94 123.62 2a39 s ASN 242 Ca -0.03 0.38 0.04 0.00 0.21 0.00 0.00 52.86 53.46 2a39 s ASN 242 Cb -0.18 0.30 0.65 0.00 -0.55 0.00 0.00 41.25 41.47 2a39 s ASN 242 CO -0.07 -0.18 1.81 -0.55 -2.79 0.00 0.00 177.10 175.31 2a39 h ASN 243 N 7.61 0.86 -0.88 -4.21 -1.07 -1.84 -0.85 115.58 115.19 2a39 h ASN 243 Ca -0.33 0.07 -0.01 0.00 0.07 0.00 0.00 56.30 56.11 2a39 h ASN 243 Cb 1.13 -0.09 -0.04 0.00 -2.07 0.00 0.00 38.32 37.25 2a39 h ASN 243 CO 0.32 0.39 0.52 1.88 0.07 0.00 0.00 177.43 180.61 2a39 h TYR 244 N 0.88 1.17 0.00 4.14 0.05 -1.83 -1.67 116.97 119.72 2a39 h TYR 244 Ca 0.54 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.31 2a39 h TYR 244 Cb 0.69 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2a39 h TYR 244 CO -0.00 0.79 0.00 0.00 -1.05 0.00 0.00 178.16 177.89 2a39 h ARG 245 N 1.22 0.00 -0.25 4.88 3.08 -0.99 -2.09 114.38 120.23 2a39 h ARG 245 Ca 0.31 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 2a39 h ARG 245 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2a39 h ARG 245 CO -0.06 0.00 -0.02 1.33 -1.07 0.00 0.00 179.97 180.16 2a39 n VAL 246 N -2.44 2.31 -3.02 2.04 0.24 -0.83 -4.99 118.33 111.64 2a39 n VAL 246 Ca 0.00 -2.15 -0.15 0.00 -2.04 0.00 0.00 64.34 60.01 2a39 n VAL 246 Cb 0.17 -0.27 0.04 0.00 -1.47 0.00 0.00 33.84 32.31 2a39 n VAL 246 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2a39 n ASN 247 N -0.78 -4.70 -4.03 -1.34 5.15 -0.78 -1.63 115.26 107.14 2a39 n ASN 247 Ca 0.24 -0.28 -0.31 0.00 -0.60 0.00 0.00 54.58 53.62 2a39 n ASN 247 Cb 0.90 -3.40 -0.15 0.00 -0.53 0.00 0.00 39.78 36.60 2a39 n ASN 247 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2a39 s VAL 248 N -3.10 2.33 -2.84 3.44 1.01 -0.69 -4.74 120.40 115.81 2a39 s VAL 248 Ca 0.30 -2.29 0.24 0.00 0.00 0.00 0.00 61.98 60.23 2a39 s VAL 248 Cb -0.13 -2.70 0.19 0.00 0.00 0.00 0.00 36.38 33.73 2a39 s VAL 248 CO 0.38 -0.57 1.27 0.35 0.00 0.00 0.00 175.10 176.52 2a39 n THR 249 N 4.28 0.00 -0.55 3.92 -2.24 -1.26 -3.49 114.28 114.94 2a39 n THR 249 Ca 0.03 -0.45 0.06 0.00 -2.27 0.00 0.00 64.05 61.41 2a39 n THR 249 Cb 0.42 1.40 0.15 0.00 -2.10 0.00 0.00 70.33 70.20 2a39 n THR 249 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2a39 n ASP 250 N 1.10 2.89 0.12 3.42 5.75 -1.26 -4.70 116.55 123.86 2a39 n ASP 250 Ca 0.14 -2.51 -0.20 0.00 -0.01 0.00 0.00 54.79 52.21 2a39 n ASP 250 Cb 0.57 -0.31 -0.15 0.00 -1.03 0.00 0.00 41.12 40.20 2a39 n ASP 250 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2a39 h TYR 251 N 1.12 0.72 -3.49 2.11 3.20 -1.91 -2.54 116.97 116.19 2a39 h TYR 251 Ca 0.00 -0.53 -0.31 0.00 3.14 0.00 0.00 58.73 61.03 2a39 h TYR 251 Cb 0.94 -0.03 -0.35 0.00 1.54 0.00 0.00 36.73 38.83 2a39 h TYR 251 CO 0.21 1.43 -0.73 -0.47 -1.64 0.00 0.00 178.16 176.96 2a39 s TYR 252 N -2.63 0.03 0.00 -3.82 5.04 -1.26 0.60 117.35 115.31 2a39 s TYR 252 Ca -0.07 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 2a39 s TYR 252 Cb 0.06 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.10 2a39 s TYR 252 CO 0.91 -0.11 0.00 0.41 -1.34 0.00 0.00 175.55 175.43 2a39 n GLY 253 N 4.35 -0.22 3.56 8.97 0.00 -0.87 -4.82 105.19 116.16 2a39 n GLY 253 Ca -0.24 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 2a39 n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a39 s ARG 254 N -2.00 3.48 0.00 1.61 0.52 -1.25 -1.03 118.95 120.29 2a39 s ARG 254 Ca 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 2a39 s ARG 254 Cb 0.00 -4.00 0.00 0.00 0.52 0.00 0.00 34.95 31.47 2a39 s ARG 254 CO 0.00 -1.50 0.00 0.41 0.02 0.00 0.00 175.30 174.23 2a39 n GLY 255 N 5.03 3.95 0.34 -3.53 0.00 -1.26 -4.92 105.19 104.80 2a39 n GLY 255 Ca 0.06 -1.58 0.18 0.00 0.00 0.00 0.00 46.02 44.67 2a39 n GLY 255 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2a39 h GLU 256 N 0.00 0.00 0.00 1.61 4.39 -1.97 -1.96 114.58 116.66 2a39 h GLU 256 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2a39 h GLU 256 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2a39 h GLU 256 CO 0.00 0.00 0.00 -0.85 -1.16 0.00 0.00 179.01 177.00 2a39 n GLU 257 N -3.72 0.85 -4.03 2.33 0.00 -1.26 -4.76 120.64 110.05 2a39 n GLU 257 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.87 2a39 n GLU 257 Cb 0.34 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.22 2a39 n GLU 257 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2a39 s PHE 258 N -2.07 3.29 0.16 -1.84 0.08 -0.74 -4.89 117.98 111.97 2a39 s PHE 258 Ca 0.42 0.15 -0.14 0.00 0.12 0.00 0.00 56.93 57.48 2a39 s PHE 258 Cb 0.20 -1.68 0.05 0.00 -0.57 0.00 0.00 43.02 41.01 2a39 s PHE 258 CO 0.35 0.55 1.73 0.87 -0.10 0.00 0.00 175.22 178.61 2a39 h LYS 259 N 3.46 0.76 -4.85 0.44 1.57 -0.96 -3.36 116.57 113.62 2a39 h LYS 259 Ca -0.47 -0.12 -0.66 0.00 -1.87 0.00 0.00 60.65 57.53 2a39 h LYS 259 Cb 1.17 -0.13 -0.22 0.00 0.08 0.00 0.00 32.23 33.13 2a39 h LYS 259 CO 0.67 0.64 -0.58 0.08 -0.57 0.00 0.00 179.45 179.70 2a39 s VAL 260 N -5.64 4.56 -0.42 0.50 1.01 0.20 -5.00 120.40 115.60 2a39 s VAL 260 Ca -0.13 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 2a39 s VAL 260 Cb 0.12 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2a39 s VAL 260 CO 0.77 0.18 0.44 0.21 0.00 0.00 0.00 175.10 176.70 2a39 s ASN 261 N 1.63 6.20 0.00 3.32 2.47 -1.26 -2.05 114.94 125.24 2a39 s ASN 261 Ca 0.05 -0.67 0.17 0.00 0.42 0.00 0.00 52.86 52.83 2a39 s ASN 261 Cb -0.16 -2.22 1.00 0.00 -1.45 0.00 0.00 41.25 38.42 2a39 s ASN 261 CO 0.06 -0.58 1.63 0.35 -3.72 0.00 0.00 177.10 174.83 2a39 n THR 262 N 5.44 0.00 0.80 -5.21 -2.24 -0.19 -2.32 114.28 110.56 2a39 n THR 262 Ca -0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 2a39 n THR 262 Cb 0.47 -0.28 0.51 0.00 -2.10 0.00 0.00 70.33 68.93 2a39 n THR 262 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a39 n LEU 263 N -0.77 0.27 -4.21 3.22 4.32 -1.26 -3.63 117.00 114.93 2a39 n LEU 263 Ca 0.13 0.53 -0.15 0.00 -0.02 0.00 0.00 56.01 56.50 2a39 n LEU 263 Cb 0.06 -0.45 -0.11 0.00 -1.62 0.00 0.00 43.42 41.30 2a39 n LEU 263 CO 0.09 -0.12 -0.42 -0.54 -1.22 0.00 0.00 177.39 175.19 2a39 s LYS 264 N -3.05 0.94 0.77 3.23 1.02 -0.98 -4.91 119.74 116.75 2a39 s LYS 264 Ca 0.12 -1.25 -0.15 0.00 0.02 0.00 0.00 55.97 54.71 2a39 s LYS 264 Cb 0.15 -0.63 0.05 0.00 -0.52 0.00 0.00 37.83 36.89 2a39 s LYS 264 CO 0.51 0.10 1.17 -2.30 -0.92 0.00 0.00 175.35 173.90 2a39 n PRO 265 N 0.35 0.41 -3.91 -1.68 -0.02 -1.26 -4.80 135.00 124.08 2a39 n PRO 265 Ca -0.14 0.21 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 2a39 n PRO 265 Cb 0.58 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 2a39 n PRO 265 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2a39 s PHE 266 N -1.93 0.17 -0.07 6.00 -0.71 -0.86 -4.73 117.98 115.85 2a39 s PHE 266 Ca 0.75 -0.64 0.04 0.00 -1.04 0.00 0.00 56.93 56.03 2a39 s PHE 266 Cb -0.32 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.00 2a39 s PHE 266 CO 0.49 -1.26 -0.18 0.99 -1.34 0.00 0.00 175.22 173.93 2a39 s THR 267 N -3.42 2.72 -0.20 -4.49 2.01 0.82 -0.78 115.64 112.31 2a39 s THR 267 Ca 0.17 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 2a39 s THR 267 Cb -0.04 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.41 2a39 s THR 267 CO 0.10 0.57 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.83 2a39 s VAL 268 N -0.32 3.12 -0.10 3.82 1.01 -0.23 -0.38 120.40 127.32 2a39 s VAL 268 Ca 0.02 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2a39 s VAL 268 Cb -0.13 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2a39 s VAL 268 CO 0.02 0.46 -0.13 -0.69 0.00 0.00 0.00 175.10 174.76 2a39 s VAL 269 N 1.31 3.14 -0.07 2.92 1.01 -0.54 -2.14 120.40 126.02 2a39 s VAL 269 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2a39 s VAL 269 Cb -0.14 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.97 2a39 s VAL 269 CO -0.04 0.55 -0.04 -0.89 0.00 0.00 0.00 175.10 174.68 2a39 s THR 270 N -0.06 0.65 -0.11 3.92 2.01 -0.17 -2.00 115.64 119.88 2a39 s THR 270 Ca -0.02 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 61.86 2a39 s THR 270 Cb -0.14 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 2a39 s THR 270 CO 0.04 0.28 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.05 2a39 s GLN 271 N 1.42 3.18 -0.73 4.92 -0.21 -0.07 -1.01 119.66 127.16 2a39 s GLN 271 Ca -0.02 -0.61 -0.08 0.00 0.02 0.00 0.00 55.36 54.66 2a39 s GLN 271 Cb -0.13 -2.65 0.19 0.00 1.00 0.00 0.00 33.01 31.41 2a39 s GLN 271 CO -0.03 0.39 0.60 -0.06 -2.12 0.00 0.00 175.29 174.07 2a39 s PHE 272 N -0.08 3.58 -0.25 0.91 0.08 -0.53 -1.50 117.98 120.18 2a39 s PHE 272 Ca -0.01 -2.36 -0.29 0.00 0.12 0.00 0.00 56.93 54.39 2a39 s PHE 272 Cb -0.14 -3.51 0.01 0.00 -0.57 0.00 0.00 43.02 38.82 2a39 s PHE 272 CO 0.03 -0.91 1.06 -0.51 -0.10 0.00 0.00 175.22 174.79 2a39 s LEU 273 N 0.04 4.06 0.25 -0.37 1.43 -0.54 -0.06 118.68 123.48 2a39 s LEU 273 Ca 0.17 1.31 0.08 0.00 -1.03 0.00 0.00 54.13 54.66 2a39 s LEU 273 Cb -0.15 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2a39 s LEU 273 CO -0.06 -0.74 0.08 0.00 0.23 0.00 0.00 176.35 175.86 2a39 s ALA 274 N 3.35 3.34 0.94 4.21 0.00 -1.26 -0.87 121.76 131.47 2a39 s ALA 274 Ca 0.45 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 2a39 s ALA 274 Cb -0.15 -1.01 0.12 0.00 0.00 0.00 0.00 23.12 22.08 2a39 s ALA 274 CO 0.09 0.28 0.71 0.27 0.00 0.00 0.00 175.76 177.11 2a39 n ASN 275 N -0.95 0.15 0.21 0.00 0.23 -0.15 -4.89 115.26 109.88 2a39 n ASN 275 Ca -0.07 -1.32 0.08 0.00 -0.53 0.00 0.00 54.58 52.74 2a39 n ASN 275 Cb 0.58 -0.54 0.46 0.00 -2.08 0.00 0.00 39.78 38.21 2a39 n ASN 275 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 2a39 h ARG 276 N 0.00 0.00 0.00 -3.83 3.08 -2.01 -1.39 114.38 110.23 2a39 h ARG 276 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2a39 h ARG 276 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2a39 h ARG 276 CO 0.17 0.29 0.00 0.54 -1.07 0.00 0.00 179.97 179.90 2a39 n ARG 277 N -3.64 0.90 -0.52 0.04 1.74 -1.26 -4.89 116.66 109.03 2a39 n ARG 277 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2a39 n ARG 277 Cb 0.41 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2a39 n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a39 n GLY 278 N 0.73 0.75 3.78 -0.13 0.00 -0.52 -5.05 105.19 104.74 2a39 n GLY 278 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2a39 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a39 s LYS 279 N -0.48 4.13 0.14 1.61 -0.14 -1.26 -4.84 119.74 118.90 2a39 s LYS 279 Ca 0.00 0.36 -0.31 0.00 -1.36 0.00 0.00 55.97 54.66 2a39 s LYS 279 Cb 0.00 -3.34 -0.09 0.00 -1.68 0.00 0.00 37.83 32.72 2a39 s LYS 279 CO 0.00 0.42 1.52 -1.17 -0.76 0.00 0.00 175.35 175.36 2a39 s LEU 280 N -0.18 4.37 -0.04 3.17 2.96 -1.26 -0.97 118.68 126.73 2a39 s LEU 280 Ca 0.23 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 2a39 s LEU 280 Cb -0.15 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 2a39 s LEU 280 CO 0.10 -0.78 -0.03 -0.62 -1.32 0.00 0.00 176.35 173.71 2a39 n GLU 281 N 4.07 0.26 -4.02 1.98 1.02 -0.05 -3.93 120.64 119.96 2a39 n GLU 281 Ca 0.13 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.21 2a39 n GLU 281 Cb 0.40 -1.08 -0.10 0.00 -0.02 0.00 0.00 31.44 30.64 2a39 n GLU 281 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2a39 s LYS 282 N -2.08 0.46 -0.10 3.49 -0.14 -0.98 -4.52 119.74 115.87 2a39 s LYS 282 Ca -0.05 -0.86 0.03 0.00 -1.36 0.00 0.00 55.97 53.73 2a39 s LYS 282 Cb 0.01 0.16 0.00 0.00 -1.68 0.00 0.00 37.83 36.33 2a39 s LYS 282 CO 0.09 -0.08 -0.22 0.42 -0.76 0.00 0.00 175.35 174.80 2a39 s ILE 283 N -2.55 1.91 -0.11 2.17 1.01 -0.54 -1.47 121.20 121.61 2a39 s ILE 283 Ca -0.06 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.69 2a39 s ILE 283 Cb -0.02 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.80 2a39 s ILE 283 CO -0.05 0.53 -0.16 -2.28 0.00 0.00 0.00 174.94 172.97 2a39 s HIS 284 N 0.50 2.08 -0.11 3.97 2.46 -0.56 -0.95 115.29 122.68 2a39 s HIS 284 Ca -0.16 -1.00 -0.01 0.00 0.47 0.00 0.00 55.06 54.37 2a39 s HIS 284 Cb -0.17 -1.49 -0.02 0.00 -0.13 0.00 0.00 32.58 30.77 2a39 s HIS 284 CO 0.06 -0.50 -0.08 0.50 -2.47 0.00 0.00 174.74 172.24 2a39 s ARG 285 N 0.98 3.22 0.23 2.88 6.06 -1.26 -0.89 118.95 130.16 2a39 s ARG 285 Ca -0.06 -0.59 -0.10 0.00 -2.50 0.00 0.00 55.73 52.48 2a39 s ARG 285 Cb -0.15 -2.69 -0.01 0.00 0.06 0.00 0.00 34.95 32.16 2a39 s ARG 285 CO -0.02 0.39 0.38 -0.59 -2.50 0.00 0.00 175.30 172.96 2a39 s PHE 286 N -0.09 0.53 0.25 5.12 -0.71 -0.85 -4.25 117.98 117.99 2a39 s PHE 286 Ca 0.00 -0.86 0.06 0.00 -1.04 0.00 0.00 56.93 55.09 2a39 s PHE 286 Cb -0.13 -0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.62 2a39 s PHE 286 CO 0.03 -0.88 -0.07 0.71 -1.34 0.00 0.00 175.22 173.67 2a39 s TYR 287 N -4.04 1.79 -0.07 3.49 1.51 -0.68 -1.47 117.35 117.87 2a39 s TYR 287 Ca 0.25 -0.72 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2a39 s TYR 287 Cb 0.01 -0.98 0.02 0.00 -0.11 0.00 0.00 41.96 40.90 2a39 s TYR 287 CO 0.08 0.22 -0.10 0.08 -1.11 0.00 0.00 175.55 174.73 2a39 s VAL 288 N -3.10 1.00 -0.01 0.71 1.01 0.49 -0.06 120.40 120.44 2a39 s VAL 288 Ca 0.27 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2a39 s VAL 288 Cb 0.03 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.46 2a39 s VAL 288 CO 0.10 0.34 -0.00 -1.58 0.00 0.00 0.00 175.10 173.95 2a39 s GLN 289 N 0.99 0.12 -1.53 2.72 0.74 -0.62 -0.13 119.66 121.96 2a39 s GLN 289 Ca -0.09 0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.24 2a39 s GLN 289 Cb -0.15 -0.21 0.08 0.00 1.10 0.00 0.00 33.01 33.83 2a39 s GLN 289 CO -0.00 -0.04 0.77 -0.25 -0.55 0.00 0.00 175.29 175.21 2a39 n ASP 290 N 3.49 -2.93 0.00 6.67 8.00 -1.26 -1.71 116.55 128.81 2a39 n ASP 290 Ca -0.18 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.41 2a39 n ASP 290 Cb 0.56 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 2a39 n ASP 290 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a39 n GLY 291 N -1.65 0.28 3.43 0.44 0.00 -1.26 -5.00 105.19 101.43 2a39 n GLY 291 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2a39 n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a39 s LYS 292 N -0.90 2.97 0.04 1.61 1.02 -0.70 -5.10 119.74 118.69 2a39 s LYS 292 Ca 0.00 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 2a39 s LYS 292 Cb 0.00 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2a39 s LYS 292 CO 0.00 0.42 1.08 0.08 -0.92 0.00 0.00 175.35 176.01 2a39 s VAL 293 N -0.19 4.44 -0.34 3.17 1.01 -1.26 -1.59 120.40 125.64 2a39 s VAL 293 Ca 0.00 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.73 2a39 s VAL 293 Cb -0.13 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.17 2a39 s VAL 293 CO 0.03 0.15 0.09 -0.63 0.00 0.00 0.00 175.10 174.74 2a39 s ILE 294 N 0.93 3.31 0.88 2.22 1.01 0.91 -4.96 121.20 125.50 2a39 s ILE 294 Ca 0.55 -1.50 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 2a39 s ILE 294 Cb -0.25 -3.00 0.12 0.00 0.01 0.00 0.00 42.46 39.34 2a39 s ILE 294 CO 0.29 -0.29 1.10 -1.61 0.00 0.00 0.00 174.94 174.43 2a39 s GLU 295 N 1.27 1.34 0.74 2.79 0.41 -1.26 -1.69 118.70 122.29 2a39 s GLU 295 Ca -0.00 1.15 -0.13 0.00 -0.41 0.00 0.00 54.97 55.57 2a39 s GLU 295 Cb -0.21 -1.79 0.04 0.00 -1.78 0.00 0.00 34.13 30.39 2a39 s GLU 295 CO -0.01 -2.28 1.13 0.45 -0.49 0.00 0.00 175.26 174.07 2a39 s SER 296 N -3.12 4.47 0.70 -0.19 0.15 -1.26 -4.82 113.70 109.63 2a39 s SER 296 Ca 0.64 2.07 -0.11 0.00 0.70 0.00 0.00 55.95 59.25 2a39 s SER 296 Cb -0.20 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 2a39 s SER 296 CO 0.58 -2.07 1.08 0.72 1.20 0.00 0.00 173.24 174.74 2a39 s PHE 297 N -2.42 3.27 0.09 3.44 -0.71 -1.26 -5.00 117.98 115.38 2a39 s PHE 297 Ca 0.67 1.18 0.03 0.00 -1.04 0.00 0.00 56.93 57.77 2a39 s PHE 297 Cb -0.22 -2.97 -0.04 0.00 -1.21 0.00 0.00 43.02 38.58 2a39 s PHE 297 CO 0.48 -1.19 0.11 0.71 -1.34 0.00 0.00 175.22 173.99 2a39 s TYR 298 N -3.23 3.24 0.97 3.49 1.51 -1.26 -4.45 117.35 117.61 2a39 s TYR 298 Ca 0.58 0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 56.62 2a39 s TYR 298 Cb -0.12 -1.63 0.15 0.00 -0.11 0.00 0.00 41.96 40.25 2a39 s TYR 298 CO 0.53 0.53 0.97 0.25 -1.11 0.00 0.00 175.55 176.72 2a39 n THR 299 N 0.32 0.00 -2.72 -0.71 -2.24 -0.20 -4.92 114.28 103.82 2a39 n THR 299 Ca -0.08 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.56 2a39 n THR 299 Cb 0.52 -0.92 0.10 0.00 -2.10 0.00 0.00 70.33 67.92 2a39 n THR 299 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2a39 n ASN 300 N -3.77 -0.41 -3.86 3.42 5.15 -0.64 -4.70 115.26 110.44 2a39 n ASN 300 Ca 0.09 -2.27 -0.15 0.00 -0.60 0.00 0.00 54.58 51.65 2a39 n ASN 300 Cb 0.53 0.30 -0.15 0.00 -0.53 0.00 0.00 39.78 39.93 2a39 n ASN 300 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2a39 s LYS 301 N -1.27 0.25 0.22 1.20 2.20 -1.24 -4.62 119.74 116.48 2a39 s LYS 301 Ca 0.18 -0.00 -0.32 0.00 -0.36 0.00 0.00 55.97 55.47 2a39 s LYS 301 Cb 0.41 -0.34 -0.13 0.00 -1.51 0.00 0.00 37.83 36.26 2a39 s LYS 301 CO -0.08 -0.04 1.62 -0.85 -0.36 0.00 0.00 175.35 175.64 2a39 n GLU 302 N 3.60 2.53 -0.01 4.03 -0.00 -1.26 -1.21 120.64 128.31 2a39 n GLU 302 Ca -0.20 0.91 0.00 0.00 -0.00 0.00 0.00 57.16 57.86 2a39 n GLU 302 Cb 0.54 -2.70 0.00 0.00 -0.00 0.00 0.00 31.44 29.29 2a39 n GLU 302 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2a39 n GLY 303 N 3.19 1.26 3.35 -1.84 0.00 -1.26 -5.03 105.19 104.85 2a39 n GLY 303 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2a39 n GLY 303 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a39 s VAL 304 N -2.43 2.95 0.40 1.61 1.01 -0.35 -4.88 120.40 118.71 2a39 s VAL 304 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 2a39 s VAL 304 Cb 0.00 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 34.03 2a39 s VAL 304 CO 0.00 0.52 1.01 -2.65 0.00 0.00 0.00 175.10 173.98 2a39 n PRO 305 N 3.64 1.37 -2.46 2.72 -0.02 -1.26 -4.65 135.00 134.35 2a39 n PRO 305 Ca -0.18 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 2a39 n PRO 305 Cb 0.53 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 2a39 n PRO 305 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2a39 s TYR 306 N -1.24 2.85 -0.05 6.00 5.04 -1.26 -4.69 117.35 124.00 2a39 s TYR 306 Ca 0.62 1.01 -0.29 0.00 -2.44 0.00 0.00 57.07 55.97 2a39 s TYR 306 Cb -0.58 -3.64 0.10 0.00 0.35 0.00 0.00 41.96 38.19 2a39 s TYR 306 CO 0.58 -1.54 0.85 -0.08 -1.34 0.00 0.00 175.55 174.01 2a39 s THR 307 N 3.81 0.00 -0.22 4.34 -1.32 -1.26 -4.95 115.64 116.04 2a39 s THR 307 Ca 0.54 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.17 2a39 s THR 307 Cb -0.19 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.15 2a39 s THR 307 CO 0.17 0.00 1.25 -0.46 -2.21 0.00 0.00 174.62 173.37 2a39 n ASN 308 N 0.35 2.95 -3.82 8.08 6.94 -1.26 -1.03 115.26 127.46 2a39 n ASN 308 Ca -0.13 -2.82 -0.10 0.00 -0.02 0.00 0.00 54.58 51.51 2a39 n ASN 308 Cb 0.60 -0.40 -0.08 0.00 -2.36 0.00 0.00 39.78 37.54 2a39 n ASN 308 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2a39 s MET 309 N -2.45 0.76 0.14 -3.83 -1.94 -1.26 -4.71 119.30 106.01 2a39 s MET 309 Ca 0.31 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 53.32 2a39 s MET 309 Cb 0.25 0.32 -0.06 0.00 2.01 0.00 0.00 34.83 37.34 2a39 s MET 309 CO 0.06 -0.23 0.94 0.42 -0.01 0.00 0.00 175.02 176.20 2a39 s ILE 310 N -2.86 4.42 0.36 2.53 1.01 -0.12 -4.89 121.20 121.64 2a39 s ILE 310 Ca -0.03 2.05 -0.13 0.00 0.00 0.00 0.00 60.65 62.54 2a39 s ILE 310 Cb 0.00 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 38.20 2a39 s ILE 310 CO -0.05 0.36 0.70 1.51 0.00 0.00 0.00 174.94 177.46 2a39 s ASP 311 N -0.28 0.16 0.29 3.58 1.47 -1.26 -1.46 116.67 119.16 2a39 s ASP 311 Ca 0.45 -1.14 -0.00 0.00 1.18 0.00 0.00 52.55 53.04 2a39 s ASP 311 Cb -0.24 0.78 0.48 0.00 -0.34 0.00 0.00 42.92 43.61 2a39 s ASP 311 CO 0.30 -1.54 1.90 0.44 0.68 0.00 0.00 175.17 176.95 2a39 h ASP 312 N 2.04 0.96 -0.02 2.11 3.32 -1.97 0.11 116.42 122.97 2a39 h ASP 312 Ca -0.29 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2a39 h ASP 312 Cb 1.25 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 2a39 h ASP 312 CO 0.38 0.61 0.01 -0.08 -1.72 0.00 0.00 179.24 178.44 2a39 h GLU 313 N 1.09 0.03 -0.18 3.56 4.81 -1.96 0.87 114.58 122.80 2a39 h GLU 313 Ca 0.41 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2a39 h GLU 313 Cb 0.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2a39 h GLU 313 CO -0.16 0.05 0.10 0.35 -0.73 0.00 0.00 179.01 178.61 2a39 h PHE 314 N 0.01 0.24 -0.66 0.92 3.57 -1.83 -1.68 116.94 117.51 2a39 h PHE 314 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2a39 h PHE 314 Cb 0.02 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 2a39 h PHE 314 CO -0.07 0.22 0.30 0.00 -2.23 0.00 0.00 178.31 176.53 2a39 h GLU 316 N 0.92 0.80 0.00 0.00 4.81 -0.75 -1.31 114.58 119.04 2a39 h GLU 316 Ca 0.22 -0.31 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 2a39 h GLU 316 Cb 0.14 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2a39 h GLU 316 CO -0.03 0.93 -0.32 0.00 -0.73 0.00 0.00 179.01 178.86 2a39 h ALA 317 N 0.85 1.41 -0.36 2.92 0.00 -1.07 -2.47 119.26 120.55 2a39 h ALA 317 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2a39 h ALA 317 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2a39 h ALA 317 CO 0.04 0.40 0.00 0.25 0.00 0.00 0.00 179.25 179.94 2a39 n THR 318 N -4.06 0.62 -1.06 0.00 -2.24 -0.68 -4.91 114.28 101.95 2a39 n THR 318 Ca -0.02 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2a39 n THR 318 Cb 0.37 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2a39 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a39 n GLY 319 N 0.97 0.38 2.57 3.38 0.00 -0.93 -4.94 105.19 106.63 2a39 n GLY 319 Ca 0.12 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 2a39 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a39 n SER 320 N 1.99 5.78 0.08 1.61 7.64 -0.50 -4.72 113.62 125.50 2a39 n SER 320 Ca 0.00 -2.75 -0.13 0.00 1.01 0.00 0.00 58.87 57.00 2a39 n SER 320 Cb 0.03 -1.61 -0.08 0.00 -1.01 0.00 0.00 64.21 61.54 2a39 n SER 320 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2a39 h ARG 321 N 5.60 -0.14 -0.77 1.43 2.43 -1.90 -2.01 114.38 119.03 2a39 h ARG 321 Ca 0.68 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.82 2a39 h ARG 321 Cb 0.50 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2a39 h ARG 321 CO 1.84 0.00 0.32 0.87 -1.51 0.00 0.00 179.97 181.49 2a39 h LYS 322 N -0.25 1.13 -0.32 0.20 1.79 -1.96 -1.07 116.57 116.08 2a39 h LYS 322 Ca -0.01 -0.19 0.07 0.00 -2.18 0.00 0.00 60.65 58.33 2a39 h LYS 322 Cb 0.21 -0.19 -0.07 0.00 -1.58 0.00 0.00 32.23 30.60 2a39 h LYS 322 CO 0.02 0.91 -0.15 -0.92 -1.08 0.00 0.00 179.45 178.23 2a39 h TYR 323 N 1.11 -0.38 -0.50 -1.35 3.20 -1.81 0.42 116.97 117.65 2a39 h TYR 323 Ca 0.26 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 2a39 h TYR 323 Cb 0.19 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2a39 h TYR 323 CO 0.02 -0.23 0.15 0.52 -1.64 0.00 0.00 178.16 176.98 2a39 h MET 324 N -0.10 0.79 -0.15 1.82 2.86 -0.94 0.17 114.93 119.38 2a39 h MET 324 Ca 0.16 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 2a39 h MET 324 Cb 0.35 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2a39 h MET 324 CO -0.39 0.74 -0.41 0.93 1.06 0.00 0.00 176.91 178.84 2a39 h GLU 325 N 0.69 0.34 -0.54 1.72 5.08 -0.75 -3.17 114.58 117.94 2a39 h GLU 325 Ca 0.16 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2a39 h GLU 325 Cb 0.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2a39 h GLU 325 CO -0.00 0.70 0.00 1.28 -1.00 0.00 0.00 179.01 179.98 2a39 n LEU 326 N -4.02 2.84 0.00 1.33 4.77 0.10 -4.85 117.00 117.16 2a39 n LEU 326 Ca -0.02 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 2a39 n LEU 326 Cb 0.49 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2a39 n LEU 326 CO 0.43 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 2a39 n GLY 327 N 0.95 0.98 7.00 -0.72 0.00 -1.20 -3.73 105.19 108.48 2a39 n GLY 327 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2a39 n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a39 n ALA 328 N 0.00 0.00 -0.18 4.61 0.00 0.04 -1.27 120.51 123.71 2a39 n ALA 328 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2a39 n ALA 328 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 2a39 n ALA 328 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2a39 h THR 329 N 0.00 1.23 -0.53 0.00 2.02 -1.89 -1.68 112.91 112.05 2a39 h THR 329 Ca 0.00 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2a39 h THR 329 Cb 0.00 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2a39 h THR 329 CO 0.00 0.30 0.31 -0.61 0.37 0.00 0.00 175.52 175.89 2a39 h GLN 330 N 0.93 0.73 -0.25 6.66 4.15 -1.69 0.31 115.11 125.95 2a39 h GLN 330 Ca 0.21 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.45 2a39 h GLN 330 Cb 0.22 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2a39 h GLN 330 CO -0.01 0.55 -0.29 0.78 -1.93 0.00 0.00 178.83 177.92 2a39 h GLY 331 N 0.72 0.55 1.00 2.39 0.00 -0.69 -1.48 103.07 105.57 2a39 h GLY 331 Ca 0.19 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2a39 h GLY 331 CO -0.03 0.44 0.40 1.98 0.00 0.00 0.00 176.54 179.33 2a39 h MET 332 N 0.44 0.87 -0.32 4.80 1.85 -0.94 -2.57 114.93 119.06 2a39 h MET 332 Ca 0.06 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 2a39 h MET 332 Cb 0.74 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.56 2a39 h MET 332 CO 0.06 0.61 0.13 0.78 -0.40 0.00 0.00 176.91 178.09 2a39 h GLY 333 N 0.88 0.48 1.43 1.39 0.00 -0.25 -1.26 103.07 105.74 2a39 h GLY 333 Ca 0.23 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 2a39 h GLY 333 CO -0.05 0.21 -0.26 0.83 0.00 0.00 0.00 176.54 177.27 2a39 h GLU 334 N 0.45 0.65 -0.26 4.80 5.08 -0.91 0.10 114.58 124.49 2a39 h GLU 334 Ca 0.11 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2a39 h GLU 334 Cb 0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2a39 h GLU 334 CO -0.01 0.85 -0.16 0.00 -1.00 0.00 0.00 179.01 178.69 2a39 h ALA 335 N 1.14 0.37 -1.00 3.43 0.00 -1.09 -0.24 119.26 121.88 2a39 h ALA 335 Ca 0.08 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2a39 h ALA 335 Cb 0.75 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2a39 h ALA 335 CO 0.06 0.27 0.66 -0.07 0.00 0.00 0.00 179.25 180.17 2a39 h LEU 336 N 0.30 1.12 -0.45 0.00 3.38 -1.08 -1.43 115.31 117.15 2a39 h LEU 336 Ca 0.06 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2a39 h LEU 336 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2a39 h LEU 336 CO 0.04 0.80 -0.25 0.74 0.09 0.00 0.00 178.44 179.86 2a39 h THR 337 N 1.32 1.27 -0.58 0.22 2.02 -0.62 -3.10 112.91 113.44 2a39 h THR 337 Ca 0.38 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 66.17 2a39 h THR 337 Cb -0.10 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2a39 h THR 337 CO -0.10 0.48 0.38 0.03 0.37 0.00 0.00 175.52 176.69 2a39 h ARG 338 N 0.81 0.71 0.00 6.66 3.08 -0.20 -3.46 114.38 121.98 2a39 h ARG 338 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2a39 h ARG 338 Cb 0.83 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2a39 h ARG 338 CO 0.07 0.47 0.00 0.41 -1.07 0.00 0.00 179.97 179.85 2a39 n GLY 339 N -1.46 3.94 3.17 0.04 0.00 -0.62 -5.00 105.19 105.27 2a39 n GLY 339 Ca 0.06 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 2a39 n GLY 339 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a39 s MET 340 N -5.08 0.84 0.01 1.61 -1.94 -0.56 -4.77 119.30 109.41 2a39 s MET 340 Ca 0.00 -1.17 -0.08 0.00 -1.71 0.00 0.00 55.69 52.73 2a39 s MET 340 Cb 0.00 -0.49 -0.05 0.00 2.01 0.00 0.00 34.83 36.30 2a39 s MET 340 CO 0.00 0.07 0.30 0.08 -0.01 0.00 0.00 175.02 175.46 2a39 s VAL 341 N -2.55 5.25 -0.19 -6.03 1.01 -0.53 -0.71 120.40 116.65 2a39 s VAL 341 Ca 0.06 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 2a39 s VAL 341 Cb -0.02 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2a39 s VAL 341 CO -0.00 0.38 0.56 -0.22 0.00 0.00 0.00 175.10 175.81 2a39 s LEU 342 N -1.70 4.16 0.06 3.92 2.96 -1.26 -1.76 118.68 125.05 2a39 s LEU 342 Ca 0.28 0.75 0.09 0.00 -0.22 0.00 0.00 54.13 55.03 2a39 s LEU 342 Cb -0.14 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 2a39 s LEU 342 CO 0.16 -0.19 -0.26 0.00 -1.32 0.00 0.00 176.35 174.73 2a39 s ALA 343 N 1.62 2.26 -0.02 5.97 0.00 0.84 -2.00 121.76 130.43 2a39 s ALA 343 Ca 0.26 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2a39 s ALA 343 Cb -0.16 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2a39 s ALA 343 CO 0.10 0.53 -0.07 -1.64 0.00 0.00 0.00 175.76 174.68 2a39 s MET 344 N -1.35 0.81 0.27 0.00 -1.94 0.38 -1.14 119.30 116.33 2a39 s MET 344 Ca 0.12 -0.23 -0.13 0.00 -1.71 0.00 0.00 55.69 53.74 2a39 s MET 344 Cb -0.10 -0.78 0.00 0.00 2.01 0.00 0.00 34.83 35.96 2a39 s MET 344 CO 0.03 0.07 0.53 -1.54 -0.01 0.00 0.00 175.02 174.09 2a39 s SER 345 N 0.29 0.02 -0.08 3.03 1.04 -0.48 -0.30 113.70 117.21 2a39 s SER 345 Ca -0.04 -0.98 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 2a39 s SER 345 Cb -0.09 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.71 2a39 s SER 345 CO 0.00 -1.22 0.19 -0.51 0.98 0.00 0.00 173.24 172.68 2a39 s ILE 346 N -3.77 -0.06 0.19 -1.02 2.07 -1.04 -0.09 121.20 117.48 2a39 s ILE 346 Ca 0.22 0.18 -0.20 0.00 -1.41 0.00 0.00 60.65 59.44 2a39 s ILE 346 Cb -0.02 -0.30 0.04 0.00 0.13 0.00 0.00 42.46 42.32 2a39 s ILE 346 CO 0.10 0.07 0.56 -1.66 -1.91 0.00 0.00 174.94 172.11 2a39 s TRP 347 N 1.26 -0.29 0.43 3.50 1.48 -0.61 -4.04 118.94 120.68 2a39 s TRP 347 Ca -0.09 -0.02 0.03 0.00 -1.06 0.00 0.00 56.10 54.96 2a39 s TRP 347 Cb -0.11 0.48 -0.03 0.00 -1.16 0.00 0.00 33.47 32.65 2a39 s TRP 347 CO -0.07 -0.91 0.06 1.67 -4.06 0.00 0.00 176.95 173.64 2a39 s TRP 348 N -3.83 1.92 -0.35 1.66 -2.14 -1.26 -1.01 118.94 113.92 2a39 s TRP 348 Ca 0.06 -1.06 -0.00 0.00 2.66 0.00 0.00 56.10 57.76 2a39 s TRP 348 Cb -0.01 -1.40 0.13 0.00 -3.10 0.00 0.00 33.47 29.08 2a39 s TRP 348 CO -0.06 0.01 0.18 0.34 -2.66 0.00 0.00 176.95 174.76 2a39 s ASP 349 N -3.69 3.41 0.22 -2.66 2.15 -1.26 -4.99 116.67 109.85 2a39 s ASP 349 Ca 0.21 -2.05 -0.08 0.00 0.43 0.00 0.00 52.55 51.06 2a39 s ASP 349 Cb 0.04 -0.62 0.22 0.00 -0.30 0.00 0.00 42.92 42.25 2a39 s ASP 349 CO 0.11 -0.34 1.88 -0.61 -0.17 0.00 0.00 175.17 176.04 2a39 h GLN 350 N 7.37 1.05 -0.38 4.34 5.75 -1.97 0.06 115.11 131.33 2a39 h GLN 350 Ca -0.03 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.32 2a39 h GLN 350 Cb 0.97 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 2a39 h GLN 350 CO 0.38 0.69 -0.08 0.78 -2.65 0.00 0.00 178.83 177.95 2a39 h GLY 351 N 1.08 0.78 0.00 2.39 0.00 -2.00 -3.39 103.07 101.93 2a39 h GLY 351 Ca 0.32 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2a39 h GLY 351 CO -0.09 0.58 0.00 0.61 0.00 0.00 0.00 176.54 177.64 2a39 n GLY 352 N -0.20 0.18 2.47 4.60 0.00 -1.22 -5.03 105.19 106.00 2a39 n GLY 352 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2a39 n GLY 352 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a39 n ASN 353 N -0.17 -5.07 -3.20 1.61 5.03 0.00 -2.58 115.26 110.88 2a39 n ASN 353 Ca 0.00 0.46 -0.23 0.00 0.87 0.00 0.00 54.58 55.67 2a39 n ASN 353 Cb 0.18 -4.51 0.03 0.00 -1.02 0.00 0.00 39.78 34.46 2a39 n ASN 353 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 2a39 n MET 354 N -2.30 -4.92 0.21 3.52 1.56 -1.26 -4.42 117.12 109.50 2a39 n MET 354 Ca -0.19 0.79 0.04 0.00 -0.27 0.00 0.00 57.70 58.07 2a39 n MET 354 Cb 0.63 -5.64 0.44 0.00 2.15 0.00 0.00 33.22 30.80 2a39 n MET 354 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2a39 h GLU 355 N -1.47 0.00 0.00 2.12 5.08 -1.89 -2.15 114.58 116.27 2a39 h GLU 355 Ca -0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2a39 h GLU 355 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2a39 h GLU 355 CO 0.57 0.27 0.00 0.11 -1.00 0.00 0.00 179.01 178.95 2a39 h TRP 356 N 0.00 0.00 0.11 4.33 5.08 -1.87 -2.64 115.95 120.96 2a39 h TRP 356 Ca -0.00 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.69 2a39 h TRP 356 Cb 0.47 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.63 2a39 h TRP 356 CO 0.00 0.00 -1.40 1.25 -1.28 0.00 0.00 178.44 177.01 2a39 h LEU 357 N 0.00 0.36 -1.80 0.11 5.85 -1.74 -3.45 115.31 114.63 2a39 h LEU 357 Ca 0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.88 2a39 h LEU 357 Cb 0.31 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2a39 h LEU 357 CO 0.00 1.61 -0.40 -0.90 -0.34 0.00 0.00 178.44 178.41 2a39 n ASP 358 N -3.94 0.00 -4.30 1.25 5.68 -1.22 -4.64 116.55 109.38 2a39 n ASP 358 Ca -0.25 -1.80 -0.25 0.00 -0.50 0.00 0.00 54.79 51.99 2a39 n ASP 358 Cb 0.89 -0.16 -0.13 0.00 -1.14 0.00 0.00 41.12 40.58 2a39 n ASP 358 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2a39 s HIS 359 N 0.00 1.87 0.00 2.11 5.04 -1.00 -1.39 115.29 121.92 2a39 s HIS 359 Ca 0.00 -0.41 0.00 0.00 -1.54 0.00 0.00 55.06 53.11 2a39 s HIS 359 Cb 0.00 -1.02 0.00 0.00 0.04 0.00 0.00 32.58 31.60 2a39 s HIS 359 CO 0.00 0.22 0.00 0.41 -2.34 0.00 0.00 174.74 173.03 2a39 n GLY 360 N 1.07 2.11 0.23 1.59 0.00 -1.20 -1.82 105.19 107.19 2a39 n GLY 360 Ca -0.19 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.87 2a39 n GLY 360 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2a39 h GLU 361 N 0.00 0.00 -0.00 1.61 5.08 -1.94 -3.26 114.58 116.07 2a39 h GLU 361 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2a39 h GLU 361 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2a39 h GLU 361 CO 0.00 0.11 -0.47 0.00 -1.00 0.00 0.00 179.01 177.65 2a39 n ALA 362 N -2.14 3.53 0.00 3.43 0.00 -0.75 -2.83 120.51 121.74 2a39 n ALA 362 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2a39 n ALA 362 Cb 0.45 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2a39 n ALA 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a39 n GLY 363 N 1.44 -1.30 0.70 0.00 0.00 -1.23 -4.21 105.19 100.59 2a39 n GLY 363 Ca 0.08 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.22 2a39 n GLY 363 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a39 n PRO 364 N 0.00 1.93 -2.62 1.61 -0.04 -1.10 -3.21 135.00 131.56 2a39 n PRO 364 Ca 0.00 -1.38 -0.41 0.00 -0.04 0.00 0.00 63.50 61.67 2a39 n PRO 364 Cb 0.00 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 31.98 2a39 n PRO 364 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a39 s ALA 366 N -0.13 2.70 0.17 0.00 0.00 -1.26 -4.09 121.76 119.15 2a39 s ALA 366 Ca 0.48 -0.31 -0.32 0.00 0.00 0.00 0.00 51.96 51.81 2a39 s ALA 366 Cb -0.26 -3.05 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 2a39 s ALA 366 CO 0.32 -1.32 1.70 0.21 0.00 0.00 0.00 175.76 176.67 2a39 s LYS 367 N -5.31 4.15 0.00 0.00 2.47 -1.26 -1.43 119.74 118.36 2a39 s LYS 367 Ca 0.59 2.52 0.00 0.00 -1.56 0.00 0.00 55.97 57.53 2a39 s LYS 367 Cb -0.12 -3.24 0.00 0.00 -1.46 0.00 0.00 37.83 33.01 2a39 s LYS 367 CO 0.52 -0.73 0.00 0.41 0.16 0.00 0.00 175.35 175.71 2a39 n GLY 368 N 3.98 2.84 0.26 5.54 0.00 -1.26 -4.91 105.19 111.64 2a39 n GLY 368 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2a39 n GLY 368 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2a39 h GLU 369 N 1.91 0.30 -0.07 1.61 4.81 -1.61 -2.98 114.58 118.56 2a39 h GLU 369 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2a39 h GLU 369 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2a39 h GLU 369 CO 0.00 0.36 0.00 0.41 -0.73 0.00 0.00 179.01 179.05 2a39 n GLY 370 N -1.05 -0.41 3.77 1.92 0.00 -1.26 -4.07 105.19 104.10 2a39 n GLY 370 Ca -0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 2a39 n GLY 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a39 s ALA 371 N -1.91 2.93 0.24 4.61 0.00 -1.13 -4.53 121.76 121.98 2a39 s ALA 371 Ca 0.31 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 2a39 s ALA 371 Cb 0.16 -3.36 0.40 0.00 0.00 0.00 0.00 23.12 20.31 2a39 s ALA 371 CO 0.25 -0.62 1.79 -1.35 0.00 0.00 0.00 175.76 175.83 2a39 h PRO 372 N 1.93 0.68 0.00 0.00 0.11 -1.90 0.52 132.00 133.35 2a39 h PRO 372 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2a39 h PRO 372 Cb 1.25 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2a39 h PRO 372 CO 0.60 0.45 -0.03 0.66 -0.21 0.00 0.00 178.00 179.46 2a39 h SER 373 N 0.70 0.00 0.34 -2.05 4.64 -1.96 -2.48 113.55 112.73 2a39 h SER 373 Ca 0.39 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.39 2a39 h SER 373 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 2a39 h SER 373 CO -0.28 0.03 -1.87 0.59 -0.87 0.00 0.00 176.83 174.44 2a39 n ASN 374 N -3.17 1.19 -0.23 4.97 3.02 0.15 -3.99 115.26 117.19 2a39 n ASN 374 Ca -0.00 0.31 0.02 0.00 -0.03 0.00 0.00 54.58 54.88 2a39 n ASN 374 Cb 0.26 -0.21 0.14 0.00 -0.61 0.00 0.00 39.78 39.36 2a39 n ASN 374 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2a39 h ILE 375 N 0.02 0.73 0.00 2.41 2.04 -0.22 -1.64 117.51 120.85 2a39 h ILE 375 Ca -0.35 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2a39 h ILE 375 Cb 2.04 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2a39 h ILE 375 CO 0.07 0.08 0.00 1.33 0.00 0.00 0.00 178.15 179.63 2a39 n VAL 376 N -4.99 0.47 0.13 1.67 0.24 -1.03 -0.83 118.33 113.99 2a39 n VAL 376 Ca 0.11 0.10 0.01 0.00 -2.04 0.00 0.00 64.34 62.52 2a39 n VAL 376 Cb 0.33 -0.73 0.03 0.00 -1.47 0.00 0.00 33.84 31.99 2a39 n VAL 376 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2a39 h GLN 377 N 0.00 0.00 0.04 7.34 4.20 -1.43 -3.15 115.11 122.11 2a39 h GLN 377 Ca 0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 2a39 h GLN 377 Cb 0.40 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2a39 h GLN 377 CO 0.00 0.58 -1.41 0.28 -0.67 0.00 0.00 178.83 177.61 2a39 h VAL 378 N 0.00 0.88 -2.65 -0.54 2.07 -1.14 -3.45 116.25 111.41 2a39 h VAL 378 Ca -0.01 -2.24 -0.40 0.00 0.82 0.00 0.00 66.70 64.88 2a39 h VAL 378 Cb 1.41 2.35 -0.38 0.00 -1.52 0.00 0.00 31.29 33.16 2a39 h VAL 378 CO 0.08 0.48 -0.69 -0.70 0.02 0.00 0.00 177.57 176.76 2a39 s GLU 379 N -2.41 0.18 0.46 1.57 2.56 -0.01 -5.03 118.70 116.01 2a39 s GLU 379 Ca -0.26 -0.06 0.21 0.00 0.00 0.00 0.00 54.97 54.86 2a39 s GLU 379 Cb 0.06 -1.28 1.12 0.00 2.00 0.00 0.00 34.13 36.03 2a39 s GLU 379 CO 0.65 -0.78 1.96 -1.00 -0.56 0.00 0.00 175.26 175.52 2a39 h PRO 380 N 8.35 0.00 -2.20 4.30 0.13 -1.77 -3.36 132.00 137.46 2a39 h PRO 380 Ca -0.17 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.38 2a39 h PRO 380 Cb 1.11 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.84 2a39 h PRO 380 CO 0.32 0.22 -0.83 1.19 -0.23 0.00 0.00 178.00 178.66 2a39 n PHE 381 N -3.81 1.61 -1.81 1.56 3.72 -1.26 -4.90 117.46 112.57 2a39 n PHE 381 Ca -0.02 -3.86 -0.39 0.00 -0.05 0.00 0.00 57.45 53.14 2a39 n PHE 381 Cb 0.31 -0.41 0.03 0.00 -0.94 0.00 0.00 39.48 38.47 2a39 n PHE 381 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2a39 s PRO 382 N -1.67 3.29 0.10 -1.08 0.02 -1.26 -4.89 135.00 129.51 2a39 s PRO 382 Ca 0.36 2.25 -0.26 0.00 0.02 0.00 0.00 61.00 63.38 2a39 s PRO 382 Cb 0.13 -2.35 0.08 0.00 0.02 0.00 0.00 34.50 32.38 2a39 s PRO 382 CO -0.08 -1.08 0.81 -1.83 -0.33 0.00 0.00 177.00 174.49 2a39 s GLU 383 N -2.80 1.11 0.03 5.54 -1.05 -1.21 -1.53 118.70 118.80 2a39 s GLU 383 Ca 0.69 -0.48 0.01 0.00 -0.15 0.00 0.00 54.97 55.04 2a39 s GLU 383 Cb -0.41 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 33.73 2a39 s GLU 383 CO 0.49 -0.49 -0.06 0.54 0.95 0.00 0.00 175.26 176.69 2a39 s VAL 384 N -3.40 0.37 -0.13 1.83 0.11 -0.50 -4.41 120.40 114.26 2a39 s VAL 384 Ca 0.06 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 2a39 s VAL 384 Cb -0.02 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 2a39 s VAL 384 CO -0.06 -0.33 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.32 2a39 s THR 385 N -1.15 1.69 -0.17 5.04 2.01 -1.21 -0.85 115.64 121.00 2a39 s THR 385 Ca -0.09 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 2a39 s THR 385 Cb -0.08 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2a39 s THR 385 CO -0.00 0.48 0.02 -0.31 -0.69 0.00 0.00 174.62 174.11 2a39 s TYR 386 N 1.08 3.15 0.05 4.92 2.02 0.57 -2.07 117.35 127.07 2a39 s TYR 386 Ca -0.03 -0.08 0.05 0.00 -0.37 0.00 0.00 57.07 56.64 2a39 s TYR 386 Cb -0.14 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 2a39 s TYR 386 CO -0.05 0.09 -0.16 0.99 -1.57 0.00 0.00 175.55 174.86 2a39 s THR 387 N 0.30 1.23 -1.28 -0.71 2.01 0.33 0.14 115.64 117.67 2a39 s THR 387 Ca 0.00 -1.12 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 2a39 s THR 387 Cb -0.13 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 2a39 s THR 387 CO 0.01 -0.01 0.69 0.59 -0.69 0.00 0.00 174.62 175.22 2a39 n ASN 388 N 1.73 -1.87 -4.71 3.53 3.02 -0.56 -0.78 115.26 115.62 2a39 n ASN 388 Ca -0.19 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.08 2a39 n ASN 388 Cb 0.54 -3.93 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 2a39 n ASN 388 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2a39 n LEU 389 N -4.21 3.96 -3.68 3.41 4.32 -1.26 -4.40 117.00 115.13 2a39 n LEU 389 Ca -0.26 1.05 -0.14 0.00 -0.02 0.00 0.00 56.01 56.63 2a39 n LEU 389 Cb 0.67 -1.56 -0.09 0.00 -1.62 0.00 0.00 43.42 40.82 2a39 n LEU 389 CO 0.68 0.15 0.22 0.00 -1.22 0.00 0.00 177.39 177.22 2a39 s ARG 390 N 1.49 0.67 0.09 3.23 1.70 -0.09 -1.62 118.95 124.41 2a39 s ARG 390 Ca 0.77 0.59 -0.07 0.00 -0.47 0.00 0.00 55.73 56.55 2a39 s ARG 390 Cb -0.51 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.18 2a39 s ARG 390 CO 0.34 -0.11 0.15 1.67 -1.08 0.00 0.00 175.30 176.26 2a39 s TRP 391 N -0.04 0.25 -3.29 5.89 -2.14 -0.97 -0.85 118.94 117.78 2a39 s TRP 391 Ca -0.03 -0.70 0.00 0.00 2.66 0.00 0.00 56.10 58.03 2a39 s TRP 391 Cb -0.03 -0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.20 2a39 s TRP 391 CO 0.02 -0.52 0.00 0.41 -2.66 0.00 0.00 176.95 174.20 2a39 n GLY 392 N -0.04 -0.52 3.78 3.67 0.00 -0.52 -1.25 105.19 110.32 2a39 n GLY 392 Ca -0.14 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 2a39 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a39 s GLU 393 N -1.88 4.09 0.20 1.61 2.02 -0.93 -0.69 118.70 123.12 2a39 s GLU 393 Ca 0.00 2.56 -0.32 0.00 0.02 0.00 0.00 54.97 57.23 2a39 s GLU 393 Cb 0.00 -2.95 -0.15 0.00 0.10 0.00 0.00 34.13 31.13 2a39 s GLU 393 CO 0.00 -0.55 1.18 -0.89 0.02 0.00 0.00 175.26 175.02 2a39 n ILE 394 N 0.42 1.05 -0.78 -1.63 2.08 -1.26 -1.14 119.36 118.11 2a39 n ILE 394 Ca 0.01 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.06 2a39 n ILE 394 Cb 0.39 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 38.33 2a39 n ILE 394 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2a39 n GLY 395 N 1.93 0.98 0.58 7.39 0.00 -1.26 -4.89 105.19 109.92 2a39 n GLY 395 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2a39 n GLY 395 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a39 n SER 396 N 0.00 2.21 0.02 1.61 3.41 -0.29 -4.47 113.62 116.12 2a39 n SER 396 Ca 0.00 -1.61 0.11 0.00 -0.26 0.00 0.00 58.87 57.11 2a39 n SER 396 Cb 0.00 0.39 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2a39 n SER 396 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2a39 n THR 397 N 0.23 0.11 -0.35 6.66 -2.24 -1.26 -4.68 114.28 112.74 2a39 n THR 397 Ca 0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2a39 n THR 397 Cb 0.49 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2a39 n THR 397 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50